3N7P

Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9804
Spacegroup name	P 32 2 1
Unit cell lengths	118.000, 118.000, 225.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.120 - 2.800
R-factor	0.2151
Rwork	0.214
R-free	0.24080
RMSD bond length	0.009
RMSD bond angle	1.060
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	BUSTER-TNT (BUSTER 2.9.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.065	0.037	0.319
Number of reflections	39158
<I/σ(I)>	17.9
Completeness [%]	84.9	93.1	36
Redundancy	3.3	3.5	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	1-1.3M ammonium sulfate, 6-8% dioxane, 60-80mM MES pH 6.5, 10mM Tris pH8.5 and 200mM sodium nitrate. The crystals were transfered to 2.1M NaMalonate (pH 7.0) prior to freezing in liquid nitrogen., VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	1-1.3M ammonium sulfate, 6-8% dioxane, 60-80mM MES pH 6.5, 10mM Tris pH8.5 and 200mM sodium nitrate. The crystals were transfered to 2.1M NaMalonate (pH 7.0) prior to freezing in liquid nitrogen., VAPOR DIFFUSION, HANGING DROP, temperature 298K