9ZOS

OXA-23-JDB/PQ-1-219, 20 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	82.635, 82.635, 85.174
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.180 - 1.600
R-factor	0.1956
Rwork	0.194
R-free	0.22880
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.461
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]	59.300	1.620
High resolution limit [Å]	1.590	1.590
Rmeas	0.065
Rpim	0.020	0.238
Number of reflections	40256	1881
<I/σ(I)>	22.4	2.4
Completeness [%]	99.8
Redundancy	19.3
CC(1/2)	1.000	0.928

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