6Z22
Crystal structure of deacylation mutant KPC-4 (E166Q)
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 | 2019-10-09 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.77 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 60.197, 78.941, 55.981 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.660 - 1.400 |
R-factor | 0.1417 |
Rwork | 0.140 |
R-free | 0.17630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qwe |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.660 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rpim | 0.052 | 0.696 |
Number of reflections | 53273 | 2586 |
<I/σ(I)> | 8.8 | 1.3 |
Completeness [%] | 100.0 | |
Redundancy | 13.4 | |
CC(1/2) | 0.999 | 0.674 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 1.8M ammonium sulphate, 5% ethanol |