9NSZ

OXA-23-NA-1-157, 6 minute soak

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	2023-11-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 42 21 2
Unit cell lengths	82.771, 82.771, 86.045
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.170 - 1.800
R-factor	0.1738
Rwork	0.173
R-free	0.19950
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.944
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.200	1.840
High resolution limit [Å]	1.800	1.800
Rmeas	0.101
Rpim	0.028	0.028
Number of reflections	28335	1634
<I/σ(I)>	16.1	1.7
Completeness [%]	99.9
Redundancy	12.9
CC(1/2)	0.999	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M lithium sulfate, 0.1 M HEPES, pH 7.5, 25% PEG3350