8PB0
Crystal structure of the metallo-beta-lactamase VIM1 with 2696
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 | 2019-04-06 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.490, 67.910, 40.220 |
Unit cell angles | 90.00, 93.37, 90.00 |
Refinement procedure
Resolution | 28.990 - 1.260 |
R-factor | 0.1359 |
Rwork | 0.135 |
R-free | 0.16030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.265 |
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] | 28.990 | 1.290 |
High resolution limit [Å] | 1.260 | 1.260 |
Rmerge | 0.073 | 0.864 |
Rmeas | 0.080 | 0.989 |
Rpim | 0.031 | 0.470 |
Number of reflections | 56158 | 3609 |
<I/σ(I)> | 13 | 1.9 |
Completeness [%] | 98.3 | 85.8 |
Redundancy | 6.3 | 4.2 |
CC(1/2) | 0.998 | 0.677 |
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 |