8PGV
Crystal structure of the metallo-beta-lactamase VIM1 with 3396
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 | 2020-07-03 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97965 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.530, 68.050, 40.300 |
| Unit cell angles | 90.00, 93.81, 90.00 |
Refinement procedure
| Resolution | 29.140 - 1.230 |
| R-factor | 0.1191 |
| Rwork | 0.118 |
| R-free | 0.14030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.725 |
| 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] | 34.120 | 1.260 |
| High resolution limit [Å] | 1.230 | 1.230 |
| Rmerge | 0.042 | 0.330 |
| Rmeas | 0.045 | 0.375 |
| Rpim | 0.017 | 0.173 |
| Number of reflections | 59971 | 3507 |
| <I/σ(I)> | 3.4 | 3.4 |
| Completeness [%] | 97.3 | 78.1 |
| Redundancy | 6.6 | 4.4 |
| CC(1/2) | 1.000 | 0.894 |
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 |
