8PGN
Crystal structure of the metallo-beta-lactamase VIM1 with 3169
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96864 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.430, 67.950, 40.250 |
| Unit cell angles | 90.00, 93.40, 90.00 |
Refinement procedure
| Resolution | 40.180 - 1.120 |
| R-factor | 0.1216 |
| Rwork | 0.121 |
| R-free | 0.13970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.638 |
| 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] | 40.180 | 1.150 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Rmerge | 0.033 | 0.175 |
| Rmeas | 0.036 | 0.204 |
| Rpim | 0.014 | 0.102 |
| Number of reflections | 79201 | 4709 |
| <I/σ(I)> | 24.5 | 5.9 |
| Completeness [%] | 97.6 | 79.6 |
| Redundancy | 5.8 | 3.7 |
| CC(1/2) | 0.999 | 0.965 |
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 |
