8YO2
Metallo-beta-lactamase VIM-2 in Complex with MBL Inhibitor B4
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 195 |
| Detector technology | PIXEL |
| Collection date | 2022-12-29 |
| Detector | DECTRIS PILATUS3 X CdTe 1M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.588, 79.095, 66.925 |
| Unit cell angles | 90.00, 129.97, 90.00 |
Refinement procedure
| Resolution | 19.774 - 1.498 |
| R-factor | 0.1846 |
| Rwork | 0.184 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.033 |
| RMSD bond angle | 1.058 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.774 | 19.774 |
| High resolution limit [Å] | 1.498 | 1.498 |
| Rmerge | 0.086 | |
| Rpim | 0.036 | |
| Number of reflections | 64467 | |
| <I/σ(I)> | 11.8 | |
| Completeness [%] | 99.0 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 32-35%(v/v) Polyethylene glycol 3350,0.2M Magnesium formate |
