8PGG
Crystal structure of the metallo-beta-lactamase VIM1 with 2954
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) | 0.97950 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.670, 67.150, 39.820 |
Unit cell angles | 90.00, 90.29, 90.00 |
Refinement procedure
Resolution | 39.820 - 1.200 |
R-factor | 0.1224 |
Rwork | 0.121 |
R-free | 0.15160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.358 |
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] | 39.820 | 1.230 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.035 | 0.525 |
Rmeas | 0.038 | 0.602 |
Rpim | 0.015 | 0.393 |
Number of reflections | 61022 | 3230 |
<I/σ(I)> | 20.1 | 2.1 |
Completeness [%] | 96.1 | 69.4 |
Redundancy | 6.3 | 3.7 |
CC(1/2) | 1.000 | 0.807 |
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 |