8PG8
Crystal structure of the metallo-beta-lactamase VIM1 with 2816
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2019-09-16 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | DECTRIS EIGER2 XE 16M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.520, 67.970, 40.340 |
| Unit cell angles | 90.00, 93.28, 90.00 |
Refinement procedure
| Resolution | 27.410 - 1.280 |
| R-factor | 0.117 |
| Rwork | 0.116 |
| R-free | 0.14080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.664 |
| 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] | 27.410 | 1.310 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.056 | 0.278 |
| Rmeas | 0.061 | 0.312 |
| Rpim | 0.024 | 0.136 |
| Number of reflections | 52848 | 3624 |
| <I/σ(I)> | 21.1 | 8.6 |
| Completeness [%] | 96.7 | 89.6 |
| Redundancy | 6.4 | 5.1 |
| CC(1/2) | 0.998 | 0.926 |
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 |
