7CD1

Crystal structure of inhibitory Smad, Smad7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-15
Detector	RAYONIX MX225-HS
Wavelength(s)	1.00
Spacegroup name	C 2 2 21
Unit cell lengths	93.205, 117.426, 163.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.500 - 1.890
R-factor	0.1751
Rwork	0.174
R-free	0.19940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1khx
RMSD bond length	0.007
RMSD bond angle	0.884
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.890	1.900
Rmerge	0.119
Rmeas	0.128
Number of reflections	71133	7017
<I/σ(I)>	19.38
Completeness [%]	100.0
Redundancy	7.8
CC(1/2)		0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	Na Citrate, MgSO4