9ZOR

OXA-23-JDB/PQ-1-219, 10 min complex

This is a non-PDB format compatible entry.

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	2023-12-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 42 21 2
Unit cell lengths	83.424, 83.424, 85.216
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.950 - 1.650
R-factor	0.1802
Rwork	0.179
R-free	0.19980
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.478
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]	37.950	1.680
High resolution limit [Å]	1.650	1.650
Rmeas	0.103
Rpim	0.023	0.266
Number of reflections	36821	1841
<I/σ(I)>	14.2	1.5
Completeness [%]	99.9
Redundancy	19.2
CC(1/2)	0.999	0.843

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