8PGF
Crystal structure of the metallo-beta-lactamase VIM1 with 2941
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 | 2019-11-24 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.979499 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.497, 67.627, 40.267 |
Unit cell angles | 90.00, 93.53, 90.00 |
Refinement procedure
Resolution | 29.050 - 1.200 |
R-factor | 0.1174 |
Rwork | 0.117 |
R-free | 0.13620 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.022 |
RMSD bond angle | 1.640 |
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] | 29.050 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.029 | 0.178 |
Rmeas | 0.032 | 0.213 |
Rpim | 0.012 | 0.115 |
Number of reflections | 62636 | 2067 |
<I/σ(I)> | 35.7 | 5.5 |
Completeness [%] | 94.9 | 63.2 |
Redundancy | 6.4 | 3.1 |
CC(1/2) | 0.999 | 0.961 |
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 |