4N6H

1.8 A Structure of the human delta opioid 7TM receptor (PSI Community Target)

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	CCD
Collection date	2013-04-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0330
Spacegroup name	C 1 2 1
Unit cell lengths	86.230, 72.851, 84.408
Unit cell angles	90.00, 107.48, 90.00

Refinement procedure

Resolution	29.700 - 1.800
R-factor	0.17271
Rwork	0.172
R-free	0.19028
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ej4
RMSD bond length	0.012
RMSD bond angle	1.419
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.104	0.822
Number of reflections	45488
<I/σ(I)>	16.4	2.3
Completeness [%]	98.5	98.5
Redundancy	4.5	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LCP		293	31-34% (v/v) PEG 400, 0.095 to 0.12 M K/Na tartrate, 5% (v/v) ethylene glycol, 100 mM MES buffer at pH 6.1-6.2, LCP, temperature 293K
1	LCP		293	31-34% (v/v) PEG 400, 0.095 to 0.12 M K/Na tartrate, 5% (v/v) ethylene glycol, 100 mM MES buffer at pH 6.1-6.2, LCP, temperature 293K