8QNY

OPR3 variant with redesigned loop 6 (8aa) in complex with NADPH4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96770
Spacegroup name	P 1 21 1
Unit cell lengths	49.736, 91.727, 89.770
Unit cell angles	90.00, 98.99, 90.00

Refinement procedure

Resolution	49.130 - 1.650
R-factor	0.1835
Rwork	0.182
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.254
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]	49.130	1.670
High resolution limit [Å]	1.650	1.650
Number of reflections	632860	10981
<I/σ(I)>	8.5
Completeness [%]	87.0
Redundancy	7.6
CC(1/2)	0.995	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM MES/Tris, 50 mM ammonium sulfate, 14% PEG8000