8PH1
Crystal structure of the metallo-beta-lactamase VIM1 with 3708
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 | 2021-06-30 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.81532 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.470, 67.820, 40.180 |
Unit cell angles | 90.00, 93.62, 90.00 |
Refinement procedure
Resolution | 34.060 - 1.330 |
R-factor | 0.1264 |
Rwork | 0.125 |
R-free | 0.15290 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.281 |
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] | 34.060 | 1.360 |
High resolution limit [Å] | 1.330 | 1.330 |
Rmerge | 0.046 | 0.687 |
Rmeas | 0.051 | |
Rpim | 0.020 | 0.290 |
Number of reflections | 48336 | 3544 |
<I/σ(I)> | 16 | 2.6 |
Completeness [%] | 99.7 | 99.3 |
Redundancy | 5.9 | 6.4 |
CC(1/2) | 1.000 | 0.820 |
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 |