8PA5
Crystal structure of the metallo-beta-lactamase VIM1 with 2540
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 | 2019-01-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.340, 67.850, 40.090 |
| Unit cell angles | 90.00, 93.39, 90.00 |
Refinement procedure
| Resolution | 40.020 - 1.100 |
| R-factor | 0.1151 |
| Rwork | 0.114 |
| R-free | 0.12890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.593 |
| 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] | 40.020 | 1.130 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.047 | 0.200 |
| Rmeas | 0.052 | 0.231 |
| Rpim | 0.020 | 0.111 |
| Number of reflections | 84081 | 5655 |
| <I/σ(I)> | 18.7 | 5.4 |
| Completeness [%] | 98.8 | 89.9 |
| Redundancy | 6.1 | 4 |
| CC(1/2) | 0.999 | 0.959 |
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 |
