8PA4
Crystal structure of the metallo-beta-lactamase VIM1 with 2526
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 | 2019-01-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.570, 67.920, 40.240 |
Unit cell angles | 90.00, 93.28, 90.00 |
Refinement procedure
Resolution | 34.150 - 1.110 |
R-factor | 0.1218 |
Rwork | 0.121 |
R-free | 0.12870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.206 |
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] | 34.150 | 1.140 |
High resolution limit [Å] | 1.110 | 1.110 |
Rmerge | 0.046 | 0.188 |
Rmeas | 0.050 | 0.212 |
Rpim | 0.019 | 0.096 |
Number of reflections | 82932 | 5498 |
<I/σ(I)> | 20.2 | 6.2 |
Completeness [%] | 99.1 | 89 |
Redundancy | 6.2 | 4.6 |
CC(1/2) | 0.999 | 0.969 |
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 |