5A87
Crystal structure of the metallo-beta-lactamase VIM-5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-21 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.270, 78.960, 64.030 |
| Unit cell angles | 90.00, 104.82, 90.00 |
Refinement procedure
| Resolution | 39.900 - 1.500 |
| R-factor | 0.1552 |
| Rwork | 0.154 |
| R-free | 0.19150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PBP ENTRY 2WRS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.166 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.900 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.130 | 1.500 |
| Number of reflections | 61767 | |
| <I/σ(I)> | 9.7 | 1.2 |
| Completeness [%] | 97.4 | 96.6 |
| Redundancy | 7.1 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 M TRIS (PH 8.5), 25% PEG 3350, 0.2 M NACL |
