4BZ3
Crystal structure of the metallo-beta-lactamase VIM-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-29 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.955, 79.689, 68.171 |
| Unit cell angles | 90.00, 130.56, 90.00 |
Refinement procedure
| Resolution | 39.844 - 1.294 |
| R-factor | 0.1131 |
| Rwork | 0.113 |
| R-free | 0.13750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ko3 |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.239 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.110 | 0.250 |
| Number of reflections | 101604 | |
| <I/σ(I)> | 10.9 | 3.5 |
| Completeness [%] | 98.2 | 97 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M MAGNESIUM FORMATE, 20 % W/V PEG3350, 1 MM TCEP |
