9NSY

OXA-23-NA-1-157, 4 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	82.467, 82.467, 84.426
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.580 - 1.700
R-factor	0.1979
Rwork	0.196
R-free	0.22940
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.114
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]	37.600	1.730
High resolution limit [Å]	1.700	1.700
Rmeas	0.095
Rpim	0.026	0.407
Number of reflections	32604	1695
<I/σ(I)>	15.4	1.5
Completeness [%]	99.8
Redundancy	12.8
CC(1/2)	0.999	0.814

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