5C1M

Crystal structure of active mu-opioid receptor bound to the agonist BU72

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]	80
Detector technology	PIXEL
Collection date	2014-11-14
Detector	PSI PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	I 21 21 21
Unit cell lengths	44.430, 144.000, 209.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.470 - 2.070
R-factor	0.2004
Rwork	0.199
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dkl 3p0g
RMSD bond length	0.004
RMSD bond angle	0.690
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.470	2.120
High resolution limit [Å]	2.070	2.070
Rmerge	0.112	1.536
Number of reflections	41704	2793
<I/σ(I)>	11	1.7
Completeness [%]	99.8
Redundancy	8.6
CC(1/2)	0.992	0.647

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7.5	293	Reconstituted in 10:1 monoolein:cholesterol mix. Precipitant solution:15-25% PEG300, 100 mM HEPES pH 7.0-7.5, 1% 1,2,3-heptanetriol, 0.5-1.0% Polypropylene glycol P 400, 100-300 mM (NH4)2HPO4