3TER

Crystal structure of SOAR domain with Inhibition helix from C. elegans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 32
Unit cell lengths	76.988, 76.988, 64.797
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.644 - 2.551
R-factor	0.1985
Rwork	0.191
R-free	0.26210
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.152
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.550	2.550
Rmerge	0.047
Number of reflections	10722
<I/σ(I)>	19
Completeness [%]	89.0	91.2
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M HEPES pH 7.0, 15% Tacsimate pH 7.0, 2% PEG 3350 , VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M HEPES pH 7.0, 15% Tacsimate pH 7.0, 2% PEG 3350 , VAPOR DIFFUSION, SITTING DROP, temperature 293K