8PGE
Crystal structure of the metallo-beta-lactamase VIM1 with 2936
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 | 2019-10-05 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.480, 68.080, 40.350 |
Unit cell angles | 90.00, 93.53, 90.00 |
Refinement procedure
Resolution | 40.270 - 1.290 |
R-factor | 0.1315 |
Rwork | 0.130 |
R-free | 0.15750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.197 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.270 | 1.320 |
High resolution limit [Å] | 1.290 | 1.290 |
Rmerge | 0.105 | 0.876 |
Rmeas | 0.113 | 0.952 |
Rpim | 0.043 | 0.369 |
Number of reflections | 53538 | 3966 |
<I/σ(I)> | 11.9 | 2.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.7 | 6.5 |
CC(1/2) | 0.998 | 0.688 |
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 |