8E0G

Re-refined model of active mu-opioid receptor (PDB 5c1m) as an adduct with 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	43.500 - 2.100
R-factor	0.19319
Rwork	0.192
R-free	0.22548
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c1m
RMSD bond length	0.018
RMSD bond angle	1.873
Refinement software	PDB-REDO (7.32)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.500	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.142	1.445
Number of reflections	40051	4399
<I/σ(I)>	7.51
Completeness [%]	99.5	95
Redundancy	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7.5	293	Reconstituted in 10:1 monoolein:cholesterol mix, precipitant: 15-25% PEG300, 100 mM HEPES, pH 7.0-7.5, 1% 1,2,3-heptanetriol, 0.5-1.0% polypropylene glycol P400, 100-300 mM ammonium phosphate dibasic