3N93

Crystal structure of human CRFR2 alpha extracellular domain in complex with Urocortin 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	54.278, 208.513, 212.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.222
Rwork	0.220
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c4m
RMSD bond length	0.010
RMSD bond angle	1.191
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.125	0.476
Number of reflections	42571
<I/σ(I)>	19.64	2.3
Completeness [%]	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	9% PEG 4000 0.1M Sodium acetate 16% Glycerol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K