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