5KZY

Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with cyclopamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	43.725, 54.592, 51.863
Unit cell angles	90.00, 96.44, 90.00

Refinement procedure

Resolution	37.475 - 2.484
R-factor	0.2198
Rwork	0.217
R-free	0.27650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kzv
RMSD bond length	0.003
RMSD bond angle	1.065
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.484	6.780	2.484
Rmerge	0.120	0.101	0.746
Number of reflections	8483
<I/σ(I)>	12.1
Completeness [%]	97.5	91.2	89.7
Redundancy	3.4	3.3	2.4
CC(1/2)		0.973	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.1M HEPES and 25% PEG 3350