9ZOW

OXA-23-JDB/PQ-1-219, 90 min complex

This is a non-PDB format compatible entry.

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	2023-12-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 42 21 2
Unit cell lengths	82.615, 82.615, 86.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.760 - 1.700
R-factor	0.20301
Rwork	0.201
R-free	0.22963
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.002
RMSD bond angle	1.255
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.800	1.730
High resolution limit [Å]	1.700	1.700
Rmeas	0.126
Rpim	0.047	0.214
Number of reflections	33606	1644
<I/σ(I)>	9.7	1.3
Completeness [%]	99.9
Redundancy	13.2
CC(1/2)	0.999	0.984

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