8PG3
Crystal structure of the metallo-beta-lactamase VIM1 with 2729
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 | 2019-04-19 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.520, 67.960, 40.340 |
Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
Resolution | 34.630 - 1.260 |
R-factor | 0.1415 |
Rwork | 0.141 |
R-free | 0.15360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.257 |
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 | 1.290 |
High resolution limit [Å] | 1.260 | 1.260 |
Rmerge | 0.043 | 0.540 |
Rmeas | 0.047 | 0.610 |
Rpim | 0.018 | 0.277 |
Number of reflections | 56182 | 3321 |
<I/σ(I)> | 19.7 | 2.6 |
Completeness [%] | 97.9 | 79.2 |
Redundancy | 6.5 | 4.6 |
CC(1/2) | 1.000 | 0.850 |
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 |