1MR1

Crystal Structure of a Smad4-Ski Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-11-15
Detector	FUJI
Wavelength(s)	1.1
Spacegroup name	P 32 2 1
Unit cell lengths	109.800, 109.800, 141.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.850
R-factor	0.235
Rwork	0.231
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.578
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.950
High resolution limit [Å]	2.850	2.850
Rmerge	0.073 *	0.457 *
Total number of observations	136326 *
Number of reflections	22639
Completeness [%]	94.5	61.2 *
Redundancy	6.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	used macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	HEPES	100 (mM)	pH7.5
3	1	reservoir	1,4-dioxane	10 (%(v/v))
4	1	reservoir		900 (mM)	pH7.0