6Q5B
OXA-48_P68A-AVI. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-04 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.115, 105.802, 125.268 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.831 - 2.220 |
R-factor | 0.2062 |
Rwork | 0.204 |
R-free | 0.26210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5qb4 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.180 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.280 |
High resolution limit [Å] | 2.220 | 2.220 |
Rmerge | 0.196 | |
Number of reflections | 58434 | |
<I/σ(I)> | 6.8 | |
Completeness [%] | 96.1 | |
Redundancy | 2.22 | |
CC(1/2) | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 20 to 30 % polyethylene glycol monomethyl ether 5,000 and 0.1 M bis-tris propane buffer pH 6.5 to 7.5 |