6VI4

Nanobody-Enabled Monitoring of Kappa Opioid Receptor States

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 21 2 21
Unit cell lengths	102.394, 108.191, 155.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.010 - 3.300
R-factor	0.2433
Rwork	0.242
R-free	0.27140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4djh
RMSD bond length	0.010
RMSD bond angle	1.344
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.013	30.000	3.390
High resolution limit [Å]	3.298	7.720	3.300
Rmerge	0.182	0.059	1.114
Rmeas	0.198	0.066	1.210
Rpim	0.075	0.027	0.454
Number of reflections	26340	2146	1998
<I/σ(I)>	3.6
Completeness [%]	99.1	97.7	99.2
Redundancy	6.6	6	6.6
CC(1/2)		0.996	0.480

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100 mM Tris pH 7.0, 360-400 mM Ammonium citrate dibasic, 28-32% PEG400