6N6U

OXA-23 mutant F110A/M221A low 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	2018-07-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	136.161, 44.200, 46.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.072 - 1.550
R-factor	0.1777
Rwork	0.177
R-free	0.19620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jf5
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]	38.200	1.580
High resolution limit [Å]	1.550	1.550
Rmeas	0.062	0.947
Rpim	0.023	0.359
Number of reflections	41612	1995
<I/σ(I)>	12.8
Completeness [%]	99.8
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.1	293	0.06 M citric acid, 0.04 M bis-Tris propane, pH 4.1, 16% PEG3350