2WKS
Structure of Helicobacter pylori Type II Dehydroquinase with a new carbasugar-thiophene inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-12-14 |
| Detector | MAR555 FLAT PANEL |
| Spacegroup name | I 41 |
| Unit cell lengths | 157.850, 157.850, 99.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.950 |
| R-factor | 0.20742 |
| Rwork | 0.206 |
| R-free | 0.23555 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c4v |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.454 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.000 | 3.110 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.100 | 0.390 |
| Number of reflections | 25927 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.5 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 26% (W/V) POLYETHYLENEGLYCOL 4000, 0.1 M 2-(N-MORPHOLINO)ETHANESULFONIC ACID-SODIUM HYDROXIDE PH 5.0 |
