4HS2

Crystal Structure of the Human SPOP C-terminal Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-15
Detector	PSI PILATUS 6M
Wavelength(s)	0.9173
Spacegroup name	P 61 2 2
Unit cell lengths	57.650, 57.650, 102.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.750 - 1.530
R-factor	0.1329
Rwork	0.132
R-free	0.15120
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.169
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXS
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.405	51.405	1.570
High resolution limit [Å]	1.528	6.830	1.530
Rmerge		0.028	0.647
Total number of observations		1894	9540
Number of reflections	16004
<I/σ(I)>	24.2	22.3	1.2
Completeness [%]	99.8	91.5	99.9
Redundancy	11.6	8.6	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	26% PEG 1500, 7% isopropanol, 0.1M CaCl2, 0.1M imidazole pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	26% PEG 1500, 7% isopropanol, 0.1M CaCl2, 0.1M imidazole pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K