6N6X

OXA-23 mutant F110A/M221A neutral pH form imipenem 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	2018-07-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	I 4 2 2
Unit cell lengths	174.851, 174.851, 81.297
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.098 - 3.100
R-factor	0.1915
Rwork	0.190
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
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]	39.100	3.310
High resolution limit [Å]	3.100	3.100
Rmeas	0.189	1.152
Rpim	0.049	0.291
Number of reflections	11718	2056
<I/σ(I)>	10.8
Completeness [%]	99.9
Redundancy	7.8

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