8Y4K
Metal Beta-Lactamase VIM-2 in Complex with MBL inhibitor B17
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 | 2023-12-25 |
| Detector | DECTRIS PILATUS3 X CdTe 1M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.314, 62.953, 68.354 |
| Unit cell angles | 90.00, 100.80, 90.00 |
Refinement procedure
| Resolution | 67.144 - 2.500 |
| R-factor | 0.2068 |
| Rwork | 0.199 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.394 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21-5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.144 | 67.140 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.130 | 0.130 |
| Number of reflections | 15238 | |
| <I/σ(I)> | 13.3 | |
| Completeness [%] | 99.8 | |
| Redundancy | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 28% PEG3350, 0,2M magnesium formate |
