1MK2

SMAD3 SBD complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	110
Detector technology	CCD
Collection date	2000-01-20
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 2
Unit cell lengths	49.995, 71.716, 86.886
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.440 - 2.800 *
R-factor	0.227
Rwork	0.227
R-free	0.26700 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010 *
RMSD bond angle	1.510 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.440	2.800
High resolution limit [Å]	2.800 *	2.800 *
Rmerge	0.139 *	0.464 *
Total number of observations	48600 *
Number of reflections	7498 *	556 *
<I/σ(I)>		3.12
Completeness [%]	0.9	99.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4 *
1	Vapor diffusion, hanging drop *	7.4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		1.8 (M)
2	1	reservoir	sodium acetate	100 (mM)	pH5.0
3	1	drop	Tris	20 (mM)	pH7.4
4	1	drop		10 (mM)
5	1	drop	EDTA	0.1 (mM)
6	1	drop	dithiothreitol	1 (mM)