5FXT
Crystal Structure of Helicobacter pylori beta clamp in complex with Carprofen
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 | 89.921, 66.445, 82.867 |
| Unit cell angles | 90.00, 115.56, 90.00 |
Refinement procedure
| Resolution | 74.760 - 1.970 |
| R-factor | 0.21009 |
| Rwork | 0.207 |
| R-free | 0.26049 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rki |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.956 |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.050 | 0.220 |
| Number of reflections | 30811 | |
| <I/σ(I)> | 38.8 | 3.5 |
| Completeness [%] | 99.0 | 79.7 |
| Redundancy | 4.2 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6% W/V PEG 20000, 20% V/V PEG MME550, 0.01M MGCL2, 0.1M MOPS/HEPES-NA PH7.3, 0.2M AMMONIUM CITRATE |
