8QNP

OPR3 with redesigned loop 6 (9aa) 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	2023-06-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	49.270, 91.790, 89.450
Unit cell angles	90.00, 98.48, 90.00

Refinement procedure

Resolution	45.900 - 2.000
R-factor	0.2141
Rwork	0.213
R-free	0.23930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	0.979
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER ((dev_4761))
Refinement software	PHENIX ((dev_4761))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.900	2.040
High resolution limit [Å]	2.000	2.000
Number of reflections	365496	2756
<I/σ(I)>	6.09
Completeness [%]	98.6
Redundancy	7
CC(1/2)	0.994	0.462

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM MES/Tris, 50 mM ammonium sulfate, 12% PEG8000