8QN3

OPR3 wildtype in complex with NADH4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.88560
Spacegroup name	P 1 21 1
Unit cell lengths	57.740, 89.460, 81.020
Unit cell angles	90.00, 107.40, 90.00

Refinement procedure

Resolution	46.910 - 1.750
R-factor	0.2016
Rwork	0.200
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.739
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_4761)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.910	1.770
High resolution limit [Å]	1.750	1.750
Number of reflections	1468942	2748
<I/σ(I)>	13.51
Completeness [%]	99.9
Redundancy	18.6
CC(1/2)	0.999	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	100 mM MES/Tris, 10 mM ammonium sulfate, 12% PEG8000