8PAD
Crystal structure of the metallo-beta-lactamase VIM1 with 2555
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 | 39.480, 67.900, 40.280 |
Unit cell angles | 90.00, 93.50, 90.00 |
Refinement procedure
Resolution | 34.600 - 1.100 |
R-factor | 0.1123 |
Rwork | 0.112 |
R-free | 0.12640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.022 |
RMSD bond angle | 1.711 |
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] | 34.600 | 1.130 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.040 | 0.086 |
Rmeas | 0.043 | 0.098 |
Rpim | 0.017 | 0.046 |
Number of reflections | 83725 | 5283 |
<I/σ(I)> | 27.7 | 10.7 |
Completeness [%] | 97.6 | 83.8 |
Redundancy | 6.2 | 4.2 |
CC(1/2) | 0.999 | 0.992 |
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 |