6TBZ

Crystal structure of the MH1 domain of Smad5-Smad3 chimera construct bound to the GGCGC site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 32
Unit cell lengths	53.145, 53.145, 83.154
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.000 - 1.782
R-factor	0.1932
Rwork	0.192
R-free	0.22620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fzs
RMSD bond length	0.008
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.10.3 (3-OCT-2019))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.000	2.080
High resolution limit [Å]	1.780	1.820
Rmerge	0.077	0.765
Rmeas	0.087	0.885
Rpim	0.038
Number of reflections	11400	571
<I/σ(I)>	10.9	1.9
Completeness [%]	88.8	68.2
Redundancy	5	3.9
CC(1/2)	0.999	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	22% PEG 3350, 0.05 M sodium citrate pH 5.5