6Z21
Crystal structure of deacylation mutant KPC-2 (E166Q)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.93998 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 60.200, 78.440, 55.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.861 - 1.300 |
R-factor | 0.1446 |
Rwork | 0.143 |
R-free | 0.17320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qw9 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.560 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rpim | 0.034 | 0.686 |
Number of reflections | 65868 | 3241 |
<I/σ(I)> | 11.8 | 12.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.6 | 12.2 |
CC(1/2) | 0.999 | 0.460 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 1.8M ammonium sulphate, 5% ethanol. |