9RFH
Crystal structure of the metallo-beta-lactamase VIM-1 with 2495
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 EIGER2 XE 16M |
| Wavelength(s) | 0.78379 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.400, 67.776, 40.210 |
| Unit cell angles | 90.00, 93.42, 90.00 |
Refinement procedure
| Resolution | 27.290 - 1.150 |
| R-factor | 0.1333 |
| Rwork | 0.132 |
| R-free | 0.16110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.952 |
| Data reduction software | xia2 |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.540 | 1.170 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.078 | 0.996 |
| Rmeas | 0.085 | 1.084 |
| Rpim | 0.032 | 0.423 |
| Total number of observations | 507426 | 23750 |
| Number of reflections | 74788 | 3694 |
| <I/σ(I)> | 10.8 | 1.5 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.8 | 6.4 |
| CC(1/2) | 0.999 | 0.672 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 2.7M ammonium phosphate, 0.1M Tris, pH 8.5 |
