8PH0
Crystal structure of the metallo-beta-lactamase VIM1 with 3637
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 | 2021-04-27 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.81532 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.460, 68.020, 40.290 |
| Unit cell angles | 90.00, 93.45, 90.00 |
Refinement procedure
| Resolution | 34.620 - 1.360 |
| R-factor | 0.1454 |
| Rwork | 0.144 |
| R-free | 0.17620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.102 |
| 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] | 39.390 | 1.400 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.046 | 0.682 |
| Rmeas | 0.050 | |
| Rpim | 0.020 | 0.295 |
| Number of reflections | 45530 | 3347 |
| <I/σ(I)> | 16.4 | 2.4 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 5.8 | 6.3 |
| CC(1/2) | 1.000 | 0.808 |
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 |
