4C79

Crystal structure of the Smoothened CRD, native

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 43 21 2
Unit cell lengths	68.620, 68.620, 95.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.203 - 2.604
R-factor	0.2157
Rwork	0.214
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c7a
RMSD bond length	0.004
RMSD bond angle	0.714
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.000	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.130	0.650
Number of reflections	7307
<I/σ(I)>	14.4	2.4
Completeness [%]	98.9	94.7
Redundancy	8.8	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		100 MM HEPES PH7.0, PEG 6000 20%, 10 MM ZNCL2