8PGB
Crystal structure of the metallo-beta-lactamase VIM1 with 2850
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 | 2019-07-20 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.979330 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.550, 68.126, 40.335 |
Unit cell angles | 90.00, 93.62, 90.00 |
Refinement procedure
Resolution | 34.660 - 1.340 |
R-factor | 0.1287 |
Rwork | 0.127 |
R-free | 0.15450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.213 |
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] | 40.250 | 1.360 |
High resolution limit [Å] | 1.340 | 1.340 |
Rmerge | 0.057 | 0.531 |
Rmeas | 0.062 | 0.602 |
Rpim | 0.024 | 0.275 |
Number of reflections | 45701 | 1420 |
<I/σ(I)> | 15.2 | 2.6 |
Completeness [%] | 95.4 | 60 |
Redundancy | 6.5 | 4.5 |
CC(1/2) | 0.999 | 0.724 |
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 |