8PGZ
Crystal structure of the metallo-beta-lactamase VIM1 with 3528
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 | 2021-04-27 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.81532 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.470, 67.950, 40.260 |
| Unit cell angles | 90.00, 93.89, 90.00 |
Refinement procedure
| Resolution | 39.380 - 1.340 |
| R-factor | 0.1294 |
| Rwork | 0.128 |
| R-free | 0.15580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.243 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.380 | 1.370 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Rmerge | 0.065 | 0.651 |
| Rmeas | 0.071 | 0.710 |
| Rpim | 0.028 | 0.281 |
| Number of reflections | 47561 | 3495 |
| <I/σ(I)> | 13 | 2.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.9 | 6.4 |
| CC(1/2) | 0.999 | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 2.2M ammonium phosphate 0.1M TrisHCl, pH 8.5 |
