8P8Y
Crystal structure of the metallo-beta-lactamase VIM1 with 1657
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 | 2017-09-08 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | pH 8.5, 293K, 2.2M ammonium phosphate, pH 8.5 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.310, 67.250, 39.960 |
| Unit cell angles | 90.00, 93.16, 90.00 |
Refinement procedure
| Resolution | 39.900 - 1.160 |
| R-factor | 0.1254 |
| Rwork | 0.124 |
| R-free | 0.14580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.488 |
| 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] | 39.900 | 1.190 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmerge | 0.071 | 1.147 |
| Rmeas | 0.073 | 1.184 |
| Rpim | 0.018 | 0.287 |
| Number of reflections | 71681 | 5252 |
| <I/σ(I)> | 19.1 | |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 16.6 | 16.5 |
| CC(1/2) | 1.000 | 0.819 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | pH 8.5, 293K, 2.2M ammonium phosphate, pH 8.5 |
