6Z24
Acylenzyme complex of ceftazidime bound to deacylation mutant KPC-2 (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 | 2018-08-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.86001 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 60.270, 77.207, 55.408 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.408 - 1.250 |
R-factor | 0.1511 |
Rwork | 0.149 |
R-free | 0.18090 |
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] | 77.210 | 1.270 |
High resolution limit [Å] | 1.250 | 1.250 |
Rpim | 0.028 | 0.315 |
Number of reflections | 71534 | 3418 |
<I/σ(I)> | 14.5 | 2.2 |
Completeness [%] | 99.2 | |
Redundancy | 12.9 | |
CC(1/2) | 0.999 | 0.833 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 1.8M ammonium Sulphate, 5% ethanol |