8PGB
Crystal structure of the metallo-beta-lactamase VIM1 with 2850
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 | 2019-07-20 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.979330 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.550, 68.126, 40.335 |
| Unit cell angles | 90.00, 93.62, 90.00 |
Refinement procedure
| Resolution | 34.660 - 1.340 |
| R-factor | 0.1287 |
| Rwork | 0.127 |
| R-free | 0.15450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.213 |
| 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] | 40.250 | 1.360 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Rmerge | 0.057 | 0.531 |
| Rmeas | 0.062 | 0.602 |
| Rpim | 0.024 | 0.275 |
| Number of reflections | 45701 | 1420 |
| <I/σ(I)> | 15.2 | 2.6 |
| Completeness [%] | 95.4 | 60 |
| Redundancy | 6.5 | 4.5 |
| CC(1/2) | 0.999 | 0.724 |
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 |
