5XOC

Crystal structure of human Smad3-FoxH1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	CCD
Collection date	2013-11-02
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 63 2 2
Unit cell lengths	131.865, 131.865, 91.602
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.883 - 2.400
R-factor	0.1983
Rwork	0.196
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mjs
RMSD bond length	0.004
RMSD bond angle	0.816
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	114.198	19.883	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.027	0.822
Rmeas	0.087	0.028	0.915
Rpim	0.025	0.008	0.392
Total number of observations	218635	7973	13404
Number of reflections	34534
<I/σ(I)>	22.6	76.5	2
Completeness [%]	99.2	94.5	96.7
Redundancy	11.7	12.2	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.4	293	0.1 M citrate pH 5.4, 0.8% ethylene imine polymer and 0.5 M NaCl