9HWE

SMAD4 MH2, residues 314-552

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	2019-09-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	F 41 3 2
Unit cell lengths	196.572, 196.572, 196.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.270 - 1.700
R-factor	0.1785
Rwork	0.178
R-free	0.19060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.130
Data reduction software	XDS (Jun 30, 2024 (BUILT 20241002))
Data scaling software	Aimless (0.7.13)
Phasing software	PHASER (1.18.2-3874-000)
Refinement software	PHENIX (1.21rc1_5107)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	113.491	1.771
High resolution limit [Å]	1.700	1.700
Number of reflections	33864	1693
<I/σ(I)>	29.1	1.3
Completeness [%]	96.3	56.7
Redundancy	36.8	22.1
CC(1/2)	1.000	0.313

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	25% PEG 3350, 0.2 M lithium sulfate, 0.1 M Bis-Tris pH 5.5 100 nL sample + 200 nL precipitant solution