5FQC
Crystal structure of the metallo-beta-lactamase VIM-2 with 2C
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 | 2015-09-27 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.931, 79.152, 67.135 |
| Unit cell angles | 90.00, 130.16, 90.00 |
Refinement procedure
| Resolution | 28.886 - 1.449 |
| R-factor | 0.1555 |
| Rwork | 0.155 |
| R-free | 0.18450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bz3 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.410 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.890 | 1.490 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.060 | 0.580 |
| Number of reflections | 71728 | |
| <I/σ(I)> | 11 | 1.8 |
| Completeness [%] | 99.4 | 97 |
| Redundancy | 4.4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M MAGNESIUM FORMATE, 20 % W/V PEG3350, 1 MM TCEP, pH 6.5 |
