8PGV
Crystal structure of the metallo-beta-lactamase VIM1 with 3396
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 | 2020-07-03 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97965 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.530, 68.050, 40.300 |
Unit cell angles | 90.00, 93.81, 90.00 |
Refinement procedure
Resolution | 29.140 - 1.230 |
R-factor | 0.1191 |
Rwork | 0.118 |
R-free | 0.14030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.725 |
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] | 34.120 | 1.260 |
High resolution limit [Å] | 1.230 | 1.230 |
Rmerge | 0.042 | 0.330 |
Rmeas | 0.045 | 0.375 |
Rpim | 0.017 | 0.173 |
Number of reflections | 59971 | 3507 |
<I/σ(I)> | 3.4 | 3.4 |
Completeness [%] | 97.3 | 78.1 |
Redundancy | 6.6 | 4.4 |
CC(1/2) | 1.000 | 0.894 |
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 |