8PH1
Crystal structure of the metallo-beta-lactamase VIM1 with 3708
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 | 2021-06-30 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.81532 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.470, 67.820, 40.180 |
| Unit cell angles | 90.00, 93.62, 90.00 |
Refinement procedure
| Resolution | 34.060 - 1.330 |
| R-factor | 0.1264 |
| Rwork | 0.125 |
| R-free | 0.15290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.281 |
| 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] | 34.060 | 1.360 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.046 | 0.687 |
| Rmeas | 0.051 | |
| Rpim | 0.020 | 0.290 |
| Number of reflections | 48336 | 3544 |
| <I/σ(I)> | 16 | 2.6 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 5.9 | 6.4 |
| CC(1/2) | 1.000 | 0.820 |
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 |
