4O9R

Human Smoothened Receptor structure in complex with cyclopamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE CXI
Synchrotron site	SLAC LCLS
Beamline	CXI
Temperature [K]	294
Detector technology	PIXEL
Collection date	2013-03
Detector	Cornell-SLAC Pixel Array Detector (CSPAD)
Wavelength(s)	1.3
Spacegroup name	P 1 21 1
Unit cell lengths	40.500, 157.300, 52.400
Unit cell angles	90.00, 97.00, 90.00

Refinement procedure

Resolution	39.325 - 3.204
R-factor	0.2339
Rwork	0.232
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4JKV for SMO and PDB ENTRY 4IB4 for BRIL
RMSD bond length	0.003
RMSD bond angle	0.613
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.700
High resolution limit [Å]	3.200	3.200
Number of reflections	10785
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Lipidic Cubic Phase (LCP)	7	293	100 mM Hepes, 30 % (v/v) PEG 400, 100 mM NaCl , pH 7.0, Lipidic Cubic Phase (LCP), temperature 293K