8PA3
Crystal structure of the metallo-beta-lactamase VIM1 with 2500
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 | 2019-02-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.510, 68.030, 40.400 |
| Unit cell angles | 90.00, 93.74, 90.00 |
Refinement procedure
| Resolution | 40.310 - 1.070 |
| R-factor | 0.1252 |
| Rwork | 0.124 |
| R-free | 0.14260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.318 |
| 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] | 40.310 | 1.100 |
| High resolution limit [Å] | 1.070 | 1.070 |
| Rmerge | 0.075 | 0.086 |
| Rmeas | 0.082 | 0.103 |
| Rpim | 0.032 | 0.055 |
| Number of reflections | 88849 | 4344 |
| <I/σ(I)> | 20.4 | 12 |
| Completeness [%] | 94.9 | 62.8 |
| Redundancy | 5.6 | 3 |
| CC(1/2) | 0.995 | 0.986 |
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 |
