8PGQ
Crystal structure of the metallo-beta-lactamase VIM1 with 3225
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 | 2020-02-20 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97950 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.520, 67.810, 40.230 |
Unit cell angles | 90.00, 93.58, 90.00 |
Refinement procedure
Resolution | 29.060 - 1.240 |
R-factor | 0.1167 |
Rwork | 0.116 |
R-free | 0.13700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 1.900 |
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] | 34.550 | 1.270 |
High resolution limit [Å] | 1.240 | 1.240 |
Rmerge | 0.026 | 0.144 |
Rmeas | 0.028 | 0.162 |
Rpim | 0.011 | 0.073 |
Number of reflections | 58773 | 3484 |
<I/σ(I)> | 31.5 | 7.5 |
Completeness [%] | 98.1 | 78.9 |
Redundancy | 6.4 | 4.5 |
CC(1/2) | 1.000 | 0.979 |
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 |