8PGE
Crystal structure of the metallo-beta-lactamase VIM1 with 2936
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 | 2019-10-05 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.480, 68.080, 40.350 |
| Unit cell angles | 90.00, 93.53, 90.00 |
Refinement procedure
| Resolution | 40.270 - 1.290 |
| R-factor | 0.1315 |
| Rwork | 0.130 |
| R-free | 0.15750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.197 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.270 | 1.320 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.105 | 0.876 |
| Rmeas | 0.113 | 0.952 |
| Rpim | 0.043 | 0.369 |
| Number of reflections | 53538 | 3966 |
| <I/σ(I)> | 11.9 | 2.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.7 | 6.5 |
| CC(1/2) | 0.998 | 0.688 |
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 |
