8P95
Crystal structure of the metallo-beta-lactamase VIM1 with 2407
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 | 2018-10-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.520, 68.030, 40.270 |
| Unit cell angles | 90.00, 93.55, 90.00 |
Refinement procedure
| Resolution | 39.440 - 1.090 |
| R-factor | 0.1208 |
| Rwork | 0.120 |
| R-free | 0.13640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.680 |
| 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] | 39.440 | 1.120 |
| High resolution limit [Å] | 1.090 | 1.090 |
| Rmerge | 0.058 | 0.424 |
| Rmeas | 0.063 | 0.492 |
| Rpim | 0.025 | 0.241 |
| Number of reflections | 86313 | 5402 |
| <I/σ(I)> | 15 | 3.2 |
| Completeness [%] | 97.6 | |
| Redundancy | 6.2 | |
| CC(1/2) | 0.999 | 0.824 |
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 |
