8QN3

OPR3 wildtype in complex with NADH4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-14
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.03
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