3FEH

Crystal structure of full length centaurin alpha-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.96863
Spacegroup name	C 1 2 1
Unit cell lengths	118.055, 52.380, 65.023
Unit cell angles	90.00, 106.45, 90.00

Refinement procedure

Resolution	37.010 - 1.900
R-factor	0.211
Rwork	0.209
R-free	0.25500
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.474
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.11)
Refinement software	REFMAC (5.4.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.083	0.056	0.377
Number of reflections	27553
Completeness [%]	91.1	95.8	53.8
Redundancy	3.1	3.3	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	25% PEG3350, 0.2M ammonium sulfate, 0.1M Bis-Tris, pH 6.5, vapor diffusion, sitting drop, temperature 291K
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	25% PEG3350, 0.2M ammonium sulfate, 0.1M Bis-Tris, pH 6.5, vapor diffusion, sitting drop, temperature 291K