8QNW

OPR3 variant with redesigned loop 6 (8aa)

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 21 21 2
Unit cell lengths	88.030, 89.760, 49.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.010 - 1.550
R-factor	0.1608
Rwork	0.159
R-free	0.19210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.047
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]	44.010	1.580
High resolution limit [Å]	1.550	1.550
Number of reflections	523244	10512
<I/σ(I)>	11.85
Completeness [%]	95.6
Redundancy	9.5
CC(1/2)	0.999	0.444

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM MES/Tris, 50 mM ammonium sulfate, 8% PEG8000