6Q5F
OXA-48_P68A-CAZ. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-08 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 89.986, 105.369, 125.281 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.973 - 2.500 |
R-factor | 0.2267 |
Rwork | 0.224 |
R-free | 0.28650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5qb4 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.263 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.177 | 0.705 |
Number of reflections | 41120 | |
<I/σ(I)> | 5.1 | 1.6 |
Completeness [%] | 99.1 | 80.4 |
Redundancy | 4.5 | |
CC(1/2) | 0.991 | 0.804 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20-30 % polyethylene glycol monomethyl ether 5,000 0.1 M bis-tris propane buffer pH 6.5-7.5 |