8PGS
Crystal structure of the metallo-beta-lactamase VIM1 with 3380
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 | 39.470, 67.950, 40.260 |
Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
Resolution | 29.100 - 1.240 |
R-factor | 0.1232 |
Rwork | 0.122 |
R-free | 0.14180 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.344 |
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] | 39.380 | 1.270 |
High resolution limit [Å] | 1.240 | 1.240 |
Rmerge | 0.031 | 0.287 |
Rmeas | 0.033 | 0.325 |
Rpim | 0.013 | 0.148 |
Number of reflections | 59078 | 3669 |
<I/σ(I)> | 24.6 | 4.1 |
Completeness [%] | 98.4 | 82.6 |
Redundancy | 6.5 | 4.5 |
CC(1/2) | 1.000 | 0.922 |
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 |