8Y4I
Metal Beta-Lactamase VIM-2 in Complex with MBL inhibitor B7
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) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.146, 245.800, 87.969 |
| Unit cell angles | 90.00, 93.76, 90.00 |
Refinement procedure
| Resolution | 43.890 - 1.935 |
| R-factor | 0.1922 |
| Rwork | 0.191 |
| R-free | 0.24370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 1.156 |
| 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] | 122.900 | 122.900 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.059 | |
| Number of reflections | 123384 | 3982 |
| <I/σ(I)> | 13.3 | |
| Completeness [%] | 98.0 | |
| Redundancy | 11.8 | |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 28% PEG3350,0.2M Magnesium formate |
