8PG6
Crystal structure of the metallo-beta-lactamase VIM1 with 2754
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.968840 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.493, 68.210, 40.304 |
Unit cell angles | 90.00, 93.42, 90.00 |
Refinement procedure
Resolution | 34.650 - 1.200 |
R-factor | 0.1201 |
Rwork | 0.119 |
R-free | 0.13940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 1.745 |
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] | 40.230 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.041 | 0.297 |
Rmeas | 0.044 | 0.329 |
Rpim | 0.017 | 0.138 |
Number of reflections | 66342 | 3232 |
<I/σ(I)> | 26.6 | 6.1 |
Completeness [%] | 99.8 | 98.8 |
Redundancy | 6.5 | 5.5 |
CC(1/2) | 1.000 |
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 |