8PGL
Crystal structure of the metallo-beta-lactamase VIM1 with 3027
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-24 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.979499 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.510, 68.060, 40.310 |
Unit cell angles | 90.00, 93.83, 90.00 |
Refinement procedure
Resolution | 34.630 - 1.200 |
R-factor | 0.1308 |
Rwork | 0.130 |
R-free | 0.14280 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.346 |
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] | 34.630 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.055 | 0.600 |
Rmeas | 0.060 | 0.720 |
Rpim | 0.023 | 0.388 |
Number of reflections | 63365 | 2085 |
<I/σ(I)> | 15.3 | 1.8 |
Completeness [%] | 95.3 | 64.1 |
Redundancy | 6.3 | 3.1 |
CC(1/2) | 0.998 | 0.645 |
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 |