8P9T
Crystal structure of the metallo-beta-lactamase VIM1 with 2483
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 | 2018-11-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.07180 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.535, 67.890, 40.326 |
| Unit cell angles | 90.00, 93.45, 90.00 |
Refinement procedure
| Resolution | 34.120 - 1.200 |
| R-factor | 0.1131 |
| Rwork | 0.112 |
| R-free | 0.12740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.546 |
| 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] | 39.460 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.047 | 0.121 |
| Rmeas | 0.051 | 0.141 |
| Rpim | 0.020 | 0.071 |
| Number of reflections | 64093 | 2359 |
| <I/σ(I)> | 28 | 8.8 |
| Completeness [%] | 96.5 | 72.1 |
| Redundancy | 6.1 | 3.6 |
| CC(1/2) | 0.999 | 0.980 |
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 |
