8P93
Crystal structure of the metallo-beta-lactamase VIM1 with 2163
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.430, 67.670, 40.150 |
| Unit cell angles | 90.00, 93.42, 90.00 |
Refinement procedure
| Resolution | 34.480 - 1.130 |
| R-factor | 0.129 |
| Rwork | 0.128 |
| R-free | 0.14150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.728 |
| 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] | 34.480 | 1.160 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.056 | 0.682 |
| Rmeas | 0.060 | 0.741 |
| Rpim | 0.023 | 0.287 |
| Number of reflections | 77979 | 5673 |
| <I/σ(I)> | 14.5 | 2.4 |
| Completeness [%] | 99.2 | 97.7 |
| Redundancy | 6.6 | 6.5 |
| CC(1/2) | 0.999 | 0.824 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 2.2M ammonium phosphate 0.1M TrisHCl, pH 8.5 |
