8I52
Crystal structure of VIM-2 metallo-beta-lactamase in complex with 10-HHIA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.320, 79.250, 67.900 |
| Unit cell angles | 90.00, 130.14, 90.00 |
Refinement procedure
| Resolution | 55.393 - 1.580 |
| Rwork | 0.147 |
| R-free | 0.17840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yd7 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.735 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.393 | 1.670 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.082 | 0.204 |
| Rmeas | 0.089 | 0.221 |
| Rpim | 0.034 | 0.084 |
| Number of reflections | 55926 | 8043 |
| <I/σ(I)> | 16 | 8 |
| Completeness [%] | 99.7 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Magnesium formate dehydrate, 25% PEG 3350 |
