7YIT

Molecular mechanism of biased signaling at the kappa opioid receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	83
Detector technology	PIXEL
Collection date	2018-08-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0330
Spacegroup name	P 2 21 21
Unit cell lengths	70.750, 76.530, 154.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.140 - 3.300
R-factor	0.2899
Rwork	0.285
R-free	0.33520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b73
RMSD bond length	0.004
RMSD bond angle	0.820
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.380	3.560
High resolution limit [Å]	3.300	3.300
Number of reflections	40881	1594
<I/σ(I)>	5.2
Completeness [%]	94.5
Redundancy	6.4
CC(1/2)	0.990	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.7	293	40-200 mM magnesium sulfate hydrate, 100 mM sodium citrate tribasic dehydrate, 10 mM Manganese (II) chloride tetrahydrate 28-30% PEG400