9RFI
Crystal structure of the metallo-beta-lactamase VIM-1 with 2493
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-03-31 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.78380 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.367, 67.636, 40.126 |
| Unit cell angles | 90.00, 93.22, 90.00 |
Refinement procedure
| Resolution | 40.060 - 1.100 |
| R-factor | 0.1304 |
| Rwork | 0.129 |
| R-free | 0.15360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.087 |
| Data reduction software | xia2 |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | REFMAC (9.0.003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.640 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Number of reflections | 84738 | 4157 |
| <I/σ(I)> | 9 | |
| Completeness [%] | 99.7 | 99 |
| Redundancy | 6.9 | 6.7 |
| CC(1/2) | 0.999 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 2.6 M ammonium phosphate, 0.1M tris, pH 8.5 |
