8PAA
Crystal structure of the metallo-beta-lactamase VIM1 with 2552
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 | 2019-02-19 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.490, 67.900, 40.220 |
Unit cell angles | 90.00, 93.50, 90.00 |
Refinement procedure
Resolution | 34.560 - 1.100 |
R-factor | 0.1269 |
Rwork | 0.126 |
R-free | 0.13660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.307 |
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] | 39.420 | 1.130 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.050 | 0.492 |
Rmeas | 0.054 | 0.560 |
Rpim | 0.021 | 0.261 |
Number of reflections | 84345 | 5095 |
<I/σ(I)> | 15.7 | 2.7 |
Completeness [%] | 98.4 | 80.6 |
Redundancy | 6.2 | 4.3 |
CC(1/2) | 0.999 | 0.830 |
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 |