7A5Z
Structure of VIM-2 metallo-beta-lactamase with hydrolysed Faropenem imine product
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 | 2018-07-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 64.647, 74.680, 78.766 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.880 - 1.290 |
| R-factor | 0.141 |
| Rwork | 0.140 |
| R-free | 0.15830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bz3 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHASER (2.7.16) |
| Refinement software | PHENIX (1.18) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.970 | 1.310 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rpim | 0.032 | |
| Number of reflections | 48222 | 2353 |
| <I/σ(I)> | 13.8 | 1.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.8 | |
| CC(1/2) | 0.991 | 0.629 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.2M Magnesium Chloride, 35% PEG 8000, Tris HCl |
