6Z23
Acylenzyme complex of cefotaxime bound to deacylation mutant KPC-2 (E166Q)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.81001 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 60.137, 78.912, 55.655 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.481 - 1.310 |
R-factor | 0.1485 |
Rwork | 0.147 |
R-free | 0.17270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qw9 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.481 | 1.330 |
High resolution limit [Å] | 1.310 | 1.310 |
Rpim | 0.039 | 1.080 |
Number of reflections | 64395 | 3131 |
<I/σ(I)> | 12.6 | 0.9 |
Completeness [%] | 100.0 | |
Redundancy | 12.6 | |
CC(1/2) | 0.999 | 0.638 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 1.8 M Ammonium Sulphate, 5% Ethanol |