8P9P
Crystal structure of the metallo-beta-lactamase VIM1 with 2408
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 | 2018-10-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97624 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.510, 67.780, 40.210 |
Unit cell angles | 90.00, 93.42, 90.00 |
Refinement procedure
Resolution | 29.010 - 1.140 |
R-factor | 0.1211 |
Rwork | 0.120 |
R-free | 0.13470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 1.635 |
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] | 34.090 | 1.170 |
High resolution limit [Å] | 1.140 | 1.140 |
Rmerge | 0.073 | 0.323 |
Rmeas | 0.080 | 0.355 |
Rpim | 0.031 | 0.146 |
Number of reflections | 74806 | 5172 |
<I/σ(I)> | 12.8 | 3.9 |
Completeness [%] | 97.4 | 91.3 |
Redundancy | 6.4 | 5.7 |
CC(1/2) | 0.998 | 0.932 |
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 |