8PG5
Crystal structure of the metallo-beta-lactamase VIM1 with 2731
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 | 2019-04-19 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976254 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.515, 67.992, 40.245 |
| Unit cell angles | 90.00, 93.25, 90.00 |
Refinement procedure
| Resolution | 28.980 - 1.250 |
| R-factor | 0.1184 |
| Rwork | 0.117 |
| R-free | 0.14040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.597 |
| 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] | 28.980 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.026 | 0.113 |
| Rmeas | 0.028 | 0.130 |
| Rpim | 0.011 | 0.061 |
| Number of reflections | 56095 | 1932 |
| <I/σ(I)> | 48.1 | 11.6 |
| Completeness [%] | 95.3 | 66.6 |
| Redundancy | 6.5 | 4.3 |
| CC(1/2) | 1.000 | 0.979 |
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 |
