8PGT
Crystal structure of the metallo-beta-lactamase VIM1 with 3393
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-03 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97965 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.490, 68.010, 40.300 |
Unit cell angles | 90.00, 93.75, 90.00 |
Refinement procedure
Resolution | 40.210 - 1.210 |
R-factor | 0.1195 |
Rwork | 0.119 |
R-free | 0.13740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.448 |
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] | 40.210 | 1.240 |
High resolution limit [Å] | 1.210 | 1.210 |
Rmerge | 0.047 | 0.252 |
Rmeas | 0.051 | 0.292 |
Rpim | 0.020 | 0.144 |
Number of reflections | 62965 | 3525 |
<I/σ(I)> | 18.3 | 3.8 |
Completeness [%] | 97.4 | 74.7 |
Redundancy | 6.4 | 3.7 |
CC(1/2) | 0.999 | 0.933 |
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 |