8PH3
Crystal structure of the metallo-beta-lactamase VIM1 with 3747
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 | 39.510, 67.810, 40.290 |
| Unit cell angles | 90.00, 93.69, 90.00 |
Refinement procedure
| Resolution | 34.090 - 1.090 |
| R-factor | 0.1265 |
| Rwork | 0.125 |
| R-free | 0.14810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.347 |
| 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] | 39.430 | 1.120 |
| High resolution limit [Å] | 1.090 | 1.090 |
| Rmerge | 0.041 | 0.634 |
| Rmeas | 0.045 | 0.688 |
| Rpim | 0.018 | 0.267 |
| Number of reflections | 85244 | 6121 |
| <I/σ(I)> | 16.3 | 2.7 |
| Completeness [%] | 96.8 | 94.4 |
| Redundancy | 6.3 | 6.4 |
| CC(1/2) | 1.000 | 0.845 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 2.2M ammonium phosphate 0.1M TrisHCl, pH 8.5 |
