8Y4M
Metal Beta-Lactamase VIM-2 in Complex with MBL inhibitor B9
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 | 2023-06-25 |
| Detector | DECTRIS PILATUS3 X CdTe 1M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 74.567, 74.567, 213.075 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.568 - 2.169 |
| R-factor | 0.2429 |
| Rwork | 0.239 |
| R-free | 0.31420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.439 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21-5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.030 | 2.290 |
| High resolution limit [Å] | 2.169 | 2.170 |
| Rmerge | 0.074 | 1.041 |
| Rmeas | 0.079 | 1.097 |
| Rpim | 0.025 | 0.343 |
| Total number of observations | 53966 | |
| Number of reflections | 37418 | 5355 |
| <I/σ(I)> | 18.1 | 2.6 |
| Completeness [%] | 99.9 | |
| Redundancy | 9.7 | 10.1 |
| CC(1/2) | 0.999 | 0.955 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 28% PEG3350,0.2 M Magnesium formate |
