3N96

Crystal structure of human CRFR2 alpha extracellular domain in complex with Urocortin 1

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)	1.07818
Spacegroup name	P 1 21 1
Unit cell lengths	54.063, 211.551, 107.839
Unit cell angles	90.00, 104.37, 90.00

Refinement procedure

Resolution	50.000 - 2.750
R-factor	0.237
Rwork	0.235
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3n93
RMSD bond length	0.017
RMSD bond angle	1.618
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	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.141	0.690
Number of reflections	59140
<I/σ(I)>	12.6	2.1
Completeness [%]	95.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	10% PEG 6000 0.1M Sodium acetate(pH 4.6) 0.1M MgCl2 14% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K