8PG7
Crystal structure of the metallo-beta-lactamase VIM1 with 2755
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.968320 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.302, 67.869, 40.101 |
Unit cell angles | 90.00, 93.53, 90.00 |
Refinement procedure
Resolution | 34.480 - 1.200 |
R-factor | 0.1262 |
Rwork | 0.125 |
R-free | 0.14070 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.581 |
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] | 40.030 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.053 | 0.462 |
Rmeas | 0.058 | 0.515 |
Rpim | 0.023 | 0.220 |
Number of reflections | 65452 | 3155 |
<I/σ(I)> | 18.5 | 3.9 |
Completeness [%] | 99.7 | 96.7 |
Redundancy | 6.5 | 5.3 |
CC(1/2) | 0.999 | 0.820 |
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 |