8P9S
Crystal structure of the metallo-beta-lactamase VIM1 with 2482
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 | 2018-11-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.071800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.652, 67.949, 40.398 |
| Unit cell angles | 90.00, 93.46, 90.00 |
Refinement procedure
| Resolution | 40.320 - 1.200 |
| R-factor | 0.121 |
| Rwork | 0.120 |
| R-free | 0.13680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.606 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.320 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.048 | 0.127 |
| Rmeas | 0.048 | 0.163 |
| Rpim | 0.025 | 0.069 |
| Number of reflections | 60761 | 1738 |
| <I/σ(I)> | 28.5 | 9.3 |
| Completeness [%] | 91.1 | 52.9 |
| Redundancy | 6.5 | 5.2 |
| CC(1/2) | 0.998 | 0.982 |
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 |
