8PGM
Crystal structure of the metallo-beta-lactamase VIM1 with 3062
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 | 2019-11-23 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97950 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.420, 67.830, 40.080 |
Unit cell angles | 90.00, 93.28, 90.00 |
Refinement procedure
Resolution | 28.900 - 1.270 |
R-factor | 0.1295 |
Rwork | 0.128 |
R-free | 0.15580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.503 |
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] | 34.040 | 1.300 |
High resolution limit [Å] | 1.270 | 1.270 |
Rmerge | 0.050 | 0.869 |
Rmeas | 0.055 | 0.959 |
Rpim | 0.021 | 0.395 |
Number of reflections | 54022 | 3620 |
<I/σ(I)> | 16.2 | 1.8 |
Completeness [%] | 97.4 | 89.5 |
Redundancy | 6.8 | 5.6 |
CC(1/2) | 0.999 | 0.708 |
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 |