8PGY
Crystal structure of the metallo-beta-lactamase VIM1 with 3462
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96860 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.560, 67.980, 40.330 |
| Unit cell angles | 90.00, 93.36, 90.00 |
Refinement procedure
| Resolution | 34.640 - 1.340 |
| R-factor | 0.1224 |
| Rwork | 0.121 |
| R-free | 0.14950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.381 |
| 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] | 34.640 | 1.370 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Rmerge | 0.070 | 0.607 |
| Rmeas | 0.076 | 0.661 |
| Rpim | 0.029 | 0.256 |
| Number of reflections | 47827 | 3531 |
| <I/σ(I)> | 14.3 | 3.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.6 | 6.6 |
| CC(1/2) | 0.998 | 0.851 |
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 |
