7KHY

Crystal structure of OXA-163 K73A in complex with meropenem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9774
Spacegroup name	C 2 2 21
Unit cell lengths	44.330, 87.800, 124.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.900 - 1.840
R-factor	0.1947
Rwork	0.192
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4s2l
RMSD bond length	0.004
RMSD bond angle	0.684
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.19rc3_4028)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.900	1.906
High resolution limit [Å]	1.840	1.840
Rmerge	0.077	0.394
Number of reflections	42948	4223
<I/σ(I)>	15.88	4.25
Completeness [%]	99.7
Redundancy	2
CC(1/2)	0.999	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	240 mM sodium formate, 3% v/v dimethyl sulfoxide, 22% PEG 3350