8PA3
Crystal structure of the metallo-beta-lactamase VIM1 with 2500
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 | 2019-02-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.510, 68.030, 40.400 |
Unit cell angles | 90.00, 93.74, 90.00 |
Refinement procedure
Resolution | 40.310 - 1.070 |
R-factor | 0.1252 |
Rwork | 0.124 |
R-free | 0.14260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.318 |
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] | 40.310 | 1.100 |
High resolution limit [Å] | 1.070 | 1.070 |
Rmerge | 0.075 | 0.086 |
Rmeas | 0.082 | 0.103 |
Rpim | 0.032 | 0.055 |
Number of reflections | 88849 | 4344 |
<I/σ(I)> | 20.4 | 12 |
Completeness [%] | 94.9 | 62.8 |
Redundancy | 5.6 | 3 |
CC(1/2) | 0.995 | 0.986 |
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 |