8PGY
Crystal structure of the metallo-beta-lactamase VIM1 with 3462
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96860 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.560, 67.980, 40.330 |
Unit cell angles | 90.00, 93.36, 90.00 |
Refinement procedure
Resolution | 34.640 - 1.340 |
R-factor | 0.1224 |
Rwork | 0.121 |
R-free | 0.14950 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.381 |
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] | 34.640 | 1.370 |
High resolution limit [Å] | 1.340 | 1.340 |
Rmerge | 0.070 | 0.607 |
Rmeas | 0.076 | 0.661 |
Rpim | 0.029 | 0.256 |
Number of reflections | 47827 | 3531 |
<I/σ(I)> | 14.3 | 3.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.6 | 6.6 |
CC(1/2) | 0.998 | 0.851 |
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 |