5KZZ

Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in its apo-form

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	C 1 2 1
Unit cell lengths	67.656, 37.352, 43.151
Unit cell angles	90.00, 97.46, 90.00

Refinement procedure

Resolution	32.634 - 1.332
R-factor	0.1575
Rwork	0.156
R-free	0.18710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kzv
RMSD bond length	0.008
RMSD bond angle	1.182
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.350
High resolution limit [Å]	1.330	3.610	1.330
Rmerge	0.033	0.019	0.372
Rmeas	0.039	0.023	0.472
Rpim	0.022	0.013	0.286
Total number of observations	75788
Number of reflections	24147
<I/σ(I)>	14.9
Completeness [%]	98.4	95.5	83.5
Redundancy	3.1	3.2	2.2
CC(1/2)		0.987	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.2M zinc acetate and 20% PEG 3350