6N6Y

OXA-23 mutant F110A/M221A neutral pH form meropenem complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	I 4 2 2
Unit cell lengths	175.242, 175.242, 81.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.185 - 3.501
R-factor	0.2373
Rwork	0.234
R-free	0.29980
Starting model (for MR)	4jf6
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.200	3.830
High resolution limit [Å]	3.500	3.500
Rmeas	0.262	2.071
Rpim	0.069	0.549
Number of reflections	8247	1930
<I/σ(I)>	9.4
Completeness [%]	99.9
Redundancy	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2 M succinic acid, pH 7.0, 20% PEG3350