8PGP
Crystal structure of the metallo-beta-lactamase VIM1 with 3193
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 | 2020-02-02 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91190 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.260, 67.470, 40.090 |
| Unit cell angles | 90.00, 93.66, 90.00 |
Refinement procedure
| Resolution | 28.930 - 0.970 |
| R-factor | 0.1273 |
| Rwork | 0.127 |
| R-free | 0.13410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.218 |
| 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] | 33.880 | 1.000 |
| High resolution limit [Å] | 0.970 | 0.970 |
| Rmerge | 0.050 | 0.524 |
| Rmeas | 0.054 | 0.591 |
| Rpim | 0.021 | 0.267 |
| Number of reflections | 112727 | 7122 |
| <I/σ(I)> | 17.2 | 2.3 |
| Completeness [%] | 91.8 | 78.7 |
| Redundancy | 6.5 | 4.6 |
| CC(1/2) | 0.999 | 0.823 |
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 |
