8PGA
Crystal structure of the metallo-beta-lactamase VIM1 with 2818
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.91587 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.420, 67.930, 40.300 |
Unit cell angles | 90.00, 94.02, 90.00 |
Refinement procedure
Resolution | 34.600 - 1.190 |
R-factor | 0.1275 |
Rwork | 0.127 |
R-free | 0.14640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.288 |
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] | 39.320 | 1.220 |
High resolution limit [Å] | 1.190 | 1.190 |
Rmerge | 0.090 | 0.788 |
Rmeas | 0.098 | 0.855 |
Rpim | 0.037 | 0.329 |
Number of reflections | 65722 | 4711 |
<I/σ(I)> | 10.5 | 2 |
Completeness [%] | 97.0 | |
Redundancy | 6.8 | |
CC(1/2) | 0.999 | 0.801 |
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 |