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9:00-10:30 |
Intro: Spadon, Read, Sussman, Riva di Sanseverino, Irwin Blundell |
Emerging threats Read Hilgenfeld |
Bioinformatics Sussman Thornton |
TB structural genomics Baker (30') Krajewski (20') Holton (20') Malaria Hora (20') |
Predictions Herzberg Moult |
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10:30-11:00 |
coffee |
coffee |
coffee |
coffee |
coffee |
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11:00-12:30 |
Crystals Bergfors Byrne |
Cryo Garman Membrane proteins Slattery (20') Solmaz (20') |
Radiation damage Garman Ravelli |
Experimental phasing Bricogne McCoy |
High throughput tools Adams Sheldrick |
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12:30-2:30 |
lunch |
lunch |
lunch |
lunch |
lunch |
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2:30-4:00 |
Data collection Dauter Leslie |
Kuhn Leslie (F1-ATPase) |
Dauter (halide soaks) Terwilliger (selecting foldable proteins) |
Excursion 1 Mothia Island (alternative, weather permitting, is San Vito lo Capo beach) |
Density improvement Turk (20') Emsley (25') Terwilliger |
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4:00-4:30 |
tea |
tea |
tea |
tea |
|
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4:30-6:30 |
demo |
demo |
Posters I |
demo |
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9:00-10:30 |
Structures, biology & medicine Turk van Aalten |
Moult: SNPs Jaskolski: domain swapping |
New methods Schneider (40') Cohen (25') Vekhter (25') |
Crystallography in industry Pauptit (30') Lundqvist (30') Scapin (30') |
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10:30-11:00 |
coffee |
coffee |
coffee |
coffee |
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11:00-12:30 |
Sussman (20') Ultrahigh resolution Urzhumtsev Hakanpaa (20') |
Ab initio phasing Lunin Bricogne |
Refinement Murshudov Perrakis |
Difficult structures Berthold (30') Sevvana (30') Lott (30') |
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12:30-2:30 |
lunch |
lunch |
lunch |
lunch |
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2:30-4:00 |
Molecular replacement Glykos Read |
Excursion 2 Selinunte & Segesta (or San Vito lo Capo beach & Segesta) |
Hot topics TBA |
Future developments Hajdu Sayre |
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4:00-4:30 |
tea |
tea |
tea |
|
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4:30-6:30 |
demo |
Posters II |
concluding remarks |
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9:00-10:30 |
Spadon, Read, Sussman, Riva di Sanseverino, Irwin |
Intro |
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Blundell |
Fragment-based drug discovery |
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10:30-11:00 |
coffee |
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11:00-12:30 |
Crystals |
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Bergfors |
Crystallization |
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Byrne |
Crystallizing membrane proteins |
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12:30-2:30 |
lunch |
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2:30-4:00 |
Data collection |
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Dauter |
Data collection strategy |
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Leslie |
Processing diffraction data with Mosflm |
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4:00-4:30 |
tea |
|
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4:30-6:30 |
demo |
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|
9:00-10:30 |
Emerging threats |
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Read |
Designing responses to bacterial toxins |
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Hilgenfeld |
Structural genomics and rapid responses to emerging threats |
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|
10:30-11:00 |
coffee |
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11:00-12:30 |
Cryo techniques |
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Garman |
Cryo-crystallography |
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Membrane proteins |
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Slattery (20') |
Designer lipids for membrane protein crystallogenesis |
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Solmaz (20') |
Structure of Cytochrome bc1 complex from yeast with its substrate cytochrome c bound at 1.9Å resolution |
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12:30-2:30 |
lunch |
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2:30-4:00 |
Kuhn |
In situ X-ray characterization using a microfluidic crystallization approach |
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Leslie |
From snapshots to the big picture with F1-ATPase |
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4:00-4:30 |
tea |
|
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4:30-6:30 |
demo |
|
|
9:00-10:30 |
Bioinformatics |
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Sussman |
Natively unfolded proteins |
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Thornton |
Extracting and exploiting structural patterns |
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|
10:30-11:00 |
coffee |
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11:00-12:30 |
Radiation damage |
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Garman |
Understanding and limiting radiation damage |
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Ravelli |
Exploiting radiation damage for RIP phasing |
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|
12:30-2:30 |
lunch |
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2:30-4:00 |
Tools for phasing |
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Dauter |
Phasing with halide soaks |
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Terwilliger |
Selecting foldable proteins with GFP fusions |
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|
4:00-4:30 |
tea |
|
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4:30-6:30 |
Posters I with pizza party |
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9:00-10:30 |
Structural genomics: TB |
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Baker (30') |
The TB Structural Genomics project |
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Krajewski (20') |
Targetting M. tb. glutamine synthetase |
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Holton (20') |
Structural proteomics of M. tb. |
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Malaria |
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Hora (20') |
Structure-based insights into the function of Pfg27 |
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|
10:30-11:00 |
coffee |
|
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11:00-12:30 |
Experimental phasing |
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Bricogne |
Experimental phasing in SHARP |
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McCoy |
Experimental phasing in Phaser |
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|
12:30-2:30 |
lunch |
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2:30-6:30 |
Excursion 1 |
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9:00-10:30 |
Predictions |
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Herzberg |
Predicting function from structure |
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Moult |
CASP: how well can we predict structure? |
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10:30-11:00 |
coffee |
|
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11:00-12:30 |
High throughput tools |
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Adams |
The PHENIX project |
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Sheldrick |
High-throughput phasing with SHELX |
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|
12:30-2:30 |
lunch |
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2:30-4:00 |
Density improvement |
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Turk (20') |
Density modification in MAIN |
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Emsley (25') |
Statistical density modification in Pirate |
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Terwilliger |
Probabilistic density modification |
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|
4:00-4:30 |
tea |
|
|
4:30-6:30 |
demo |
|
|
9:00-10:30 |
Structures, biology and medicine |
|
|
Turk |
Structure-based design of cathepsin inhibitors |
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van Aalten |
Mechanism-based design of drug-like family 18 chitinase inhibitors |
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|
10:30-11:00 |
coffee |
|
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11:00-12:30 |
Sussman (20') |
Lessons from acetylcholinesterase |
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Ultrahigh resolution |
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Urzhumtsev |
Macromolecules at a resolution beyond 1Å: maps and models |
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Hakanpaa (20') |
From atomic to ultra high resolution: how high is high enough? |
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|
12:30-2:30 |
lunch |
|
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2:30-4:00 |
Molecular replacement |
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Glykos |
Stochastic molecular replacement |
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|
Read |
Likelihood-based molecular replacement in Phaser |
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|
4:00-4:30 |
tea |
|
|
4:30-6:30 |
demo |
|
|
9:00-10:30 |
Crystallography and inherited diseases |
|
|
Moult |
Modeling SNPs in human disease |
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|
Jaskolski |
3D domain swapping and its relevance to conformational diseases |
|
|
10:30-11:00 |
coffee |
|
|
11:00-12:30 |
Ab initio phasing |
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|
Lunin |
Ab initio phasing starting from low resolution |
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Bricogne |
Stereochemistry and ab initio phasing |
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|
12:30-2:30 |
lunch |
|
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2:30-6:30 |
Excursion 2 |
|
|
9:00-10:30 |
Contributions to new methods |
|
|
Schneider (40') |
Using genetic algorithms to identify domains and study conformational change |
|
|
Cohen (25') |
Software tools for automation in ARP/wARP |
|
|
Vekhter (25') |
Improving experimental phasing: the role of strongest reflections |
|
|
10:30-11:00 |
coffee |
|
|
11:00-12:30 |
Refinement |
|
|
Murshudov |
Likelihood-based refinement in Refmac5 |
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|
Perrakis |
Automated fitting and refinement with ARP/wARP |
|
|
12:30-2:30 |
lunch |
|
|
2:30-4:00 |
Hot topics |
|
|
(to be chosen from participant abstracts) |
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|
4:00-4:30 |
tea |
|
|
4:30-6:30 |
demo |
|
|
9:00-10:30 |
Crystallography in industry |
|
|
Pauptit (30') |
Is fragment-based screening an evolving method? |
|
|
Lundqvist (30') |
Protein flexibility: a curse or an opportunity in drug discovery? |
|
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Scapin (30') |
Structural biology in drug discovery: from structures to mice and back |
|
|
10:30-11:00 |
coffee |
|
|
11:00-12:30 |
Difficult structures |
|
|
Berthold (30') |
Structure of oxalyl-CoA decarboxylase solved from a hemihedrally-twinned crystal |
|
|
Sevvana (30') |
Solving non-merohedrally twinned structures by anomalous scattering |
|
|
Lott (30') |
Making the most of two crystals |
|
|
12:30-2:30 |
lunch |
|
|
2:30-4:00 |
Future developments |
|
|
Hajdu |
Coupling crystallography and spectroscopy |
|
|
Sayre |
X-ray diffraction imaging of large single particles |
|
|
4:00-4:30 |
tea |
|
|
4:30-6:30 |
Concluding remarks |
|