4EJ4

Structure of the delta opioid receptor bound to naltrindole

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]	78
Detector technology	CCD
Collection date	2012-03-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 31 2 1
Unit cell lengths	73.278, 73.278, 266.653
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.403 - 3.400
R-factor	0.2552
Rwork	0.252
R-free	0.28180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dkl
RMSD bond length	0.006
RMSD bond angle	1.096
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.500
High resolution limit [Å]	3.400	3.400
Rmerge	0.177	0.580
Number of reflections	12144
<I/σ(I)>	7.9	1.8
Completeness [%]	98.3	95.8
Redundancy	6.5	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	293	29-33% PEG 400, 100 mM HEPES pH 7.5, 120-180 mM sodium citrate, 350 mM Magnesium chloride. Protein was mixed 1:1.5 (w:w) with 91% monoolein 9% cholesterol mixture by weight, Lipidic cubic phase, temperature 293K
1		7.5	293	29-33% PEG 400, 100 mM HEPES pH 7.5, 120-180 mM sodium citrate, 350 mM Magnesium chloride. Protein was mixed 1:1.5 (w:w) with 91% monoolein 9% cholesterol mixture by weight, Lipidic cubic phase, temperature 293K