1KHU

Smad1 crystal structure reveals the details of BMP signaling pathway

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	113
Spacegroup name	H 3
Unit cell lengths	138.129, 138.129, 199.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.000 - 2.500
R-factor	0.239 *
Rwork	0.239
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Smad4 active fragment homotrimer
RMSD bond length	0.008
RMSD bond angle	1.397
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.570
High resolution limit [Å]	2.500	2.500
Rmerge	0.065	0.351 *
Total number of observations	77509 *
Number of reflections	47621
<I/σ(I)>	10.4	2
Completeness [%]	96.8 *	98.8
Redundancy	1.69

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6 *	298	alcohol, pH 6.5, EVAPORATION, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MES	50 (mM)	pH6.0
2	1	reservoir	ethanol	6 (%)
3	1	drop	protein	20 (mg/ml)