7QQ5
Structure of CTX-M-15 K73A mutant crystallised in the presence of enmetazobactam (AAI101)
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 | 2020-09-23 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.72 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.776, 45.465, 117.235 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.390 - 0.950 |
R-factor | 0.1447 |
Rwork | 0.144 |
R-free | 0.16060 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6qw8 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.390 | 0.970 |
High resolution limit [Å] | 0.950 | 0.950 |
Rpim | 0.050 | 0.847 |
Number of reflections | 151225 | 7432 |
<I/σ(I)> | 7.6 | 0.5 |
Completeness [%] | 100.0 | 99.2 |
Redundancy | 13 | |
CC(1/2) | 0.999 | 0.357 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 2.0 M ammonium sulphate, 0.1 M Tris 8.0, 1 mM enmetazobactam |