8PGU
Crystal structure of the metallo-beta-lactamase VIM1 with 3394
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 | 2020-07-17 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.81564 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.420, 67.880, 40.260 |
Unit cell angles | 90.00, 93.54, 90.00 |
Refinement procedure
Resolution | 34.580 - 1.620 |
R-factor | 0.1626 |
Rwork | 0.161 |
R-free | 0.18620 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.634 |
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] | 34.580 | 1.660 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.088 | 0.780 |
Rmeas | 0.095 | 0.842 |
Rpim | 0.036 | 0.316 |
Number of reflections | 26808 | 1973 |
<I/σ(I)> | 13.5 | 2.4 |
Completeness [%] | 99.4 | 100 |
Redundancy | 7.1 | 7 |
CC(1/2) | 0.999 | 0.764 |
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 |