8FAJ

OXA-48-NA-1-157 inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	73.564, 74.638, 97.608
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.320 - 1.750
R-factor	0.1833
Rwork	0.182
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.207
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.320	1.780
High resolution limit [Å]	1.750	1.750
Rmeas	0.094
Rpim	0.034	0.456
Number of reflections	54799	2894
<I/σ(I)>	12.3
Completeness [%]	99.8
Redundancy	7.6
CC(1/2)	0.999	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20 mM CaCl2, 20 mM CoCl2, 20 mM CdCl2, 20% PEG 3350