8P8Y
Crystal structure of the metallo-beta-lactamase VIM1 with 1657
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-08 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | pH 8.5, 293K, 2.2M ammonium phosphate, pH 8.5 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.310, 67.250, 39.960 |
Unit cell angles | 90.00, 93.16, 90.00 |
Refinement procedure
Resolution | 39.900 - 1.160 |
R-factor | 0.1254 |
Rwork | 0.124 |
R-free | 0.14580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.488 |
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] | 39.900 | 1.190 |
High resolution limit [Å] | 1.160 | 1.160 |
Rmerge | 0.071 | 1.147 |
Rmeas | 0.073 | 1.184 |
Rpim | 0.018 | 0.287 |
Number of reflections | 71681 | 5252 |
<I/σ(I)> | 19.1 | |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 16.6 | 16.5 |
CC(1/2) | 1.000 | 0.819 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | pH 8.5, 293K, 2.2M ammonium phosphate, pH 8.5 |