8PGR
Crystal structure of the metallo-beta-lactamase VIM1 with 3270
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-20 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.520, 67.860, 40.240 |
| Unit cell angles | 90.00, 93.63, 90.00 |
Refinement procedure
| Resolution | 34.100 - 1.220 |
| R-factor | 0.1123 |
| Rwork | 0.111 |
| R-free | 0.13310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.689 |
| 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] | 39.440 | 1.250 |
| High resolution limit [Å] | 1.220 | 1.220 |
| Rmerge | 0.037 | 0.130 |
| Rmeas | 0.041 | 0.147 |
| Rpim | 0.016 | 0.067 |
| Number of reflections | 60878 | 3257 |
| <I/σ(I)> | 26.3 | 7.7 |
| Completeness [%] | 96.7 | 70.3 |
| Redundancy | 6.5 | 4.4 |
| CC(1/2) | 0.999 | 0.981 |
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 |
