6B22

Crystal structure OXA-24 beta-lactamase complexed with WCK 4234 by co-crystallization

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97910
Spacegroup name	P 41 21 2
Unit cell lengths	102.539, 102.539, 84.312
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.000 - 1.930
R-factor	0.1785
Rwork	0.177
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.874
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.990	1.970
High resolution limit [Å]	1.930	1.930
Rmerge	0.127	1.151
Rmeas	0.138	1.261
Rpim	0.055	0.508
Total number of observations	198969
Number of reflections	34171	2247
<I/σ(I)>	11.9
Completeness [%]	99.3	98.1
Redundancy	5.8	5.6
CC(1/2)	0.984	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.2M Calcium acetate, 0.2M Sodium cacodylate pH 6.5, and 18% PEG 8000. Inhibitor:protein molar ratio 1:50.