5FVE
Crystal Structure of Helicobacter pylori beta clamp in complex with 3, 4-Difluorobenzamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 287 |
| Detector technology | CCD |
| Collection date | 2015-11-20 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.071, 66.383, 82.778 |
| Unit cell angles | 90.00, 115.43, 90.00 |
Refinement procedure
| Resolution | 74.760 - 2.070 |
| R-factor | 0.21446 |
| Rwork | 0.213 |
| R-free | 0.24732 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rki |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.276 |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.060 | 0.420 |
| Number of reflections | 26589 | |
| <I/σ(I)> | 33.17 | 3 |
| Completeness [%] | 98.5 | 90.9 |
| Redundancy | 6.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20% V/V PEG MME550, 6% W/V PEG 20000, 0.01M MGCL2, 0.1M MOPS/HEPES-NA PH 7.3, 0.2M AMMONIUM CITRATE |
