8QNM

OPR3 with redesigned Loop 6 (9aa) in complex with NADPH4

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)	1.033202
Spacegroup name	P 1 21 1
Unit cell lengths	50.200, 89.950, 90.520
Unit cell angles	90.00, 100.38, 90.00

Refinement procedure

Resolution	44.970 - 2.080
R-factor	0.212
Rwork	0.210
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.470
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER ((dev_4761))
Refinement software	PHENIX ((dev_4761))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.970	2.120
High resolution limit [Å]	2.080	2.080
Number of reflections	304667	836
<I/σ(I)>	1.27
Completeness [%]	91.8
Redundancy	6.5
CC(1/2)	0.618	0.092

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