8QNE

OPR3 variant with redesigned loop 6 (9aa)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA II, DESY BEAMLINE PETRA1
Synchrotron site	PETRA II, DESY
Beamline	PETRA1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03323
Spacegroup name	P 21 21 2
Unit cell lengths	87.360, 90.100, 49.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.680 - 1.400
R-factor	0.1598
Rwork	0.159
R-free	0.18230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.493
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]	43.680	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	907508	75301
<I/σ(I)>	18.31
Completeness [%]	97.2
Redundancy	12.1
CC(1/2)	0.999	0.380

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