9HZA

SMAD4 MH2, residues 272-552

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	2021-11-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	I 41 2 2
Unit cell lengths	140.863, 140.863, 191.951
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.600 - 2.030
R-factor	0.1914
Rwork	0.190
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.835
Data reduction software	autoPROC (1.0.5 (20180515))
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (1.18.2-3874-000)
Refinement software	PHENIX (1.21rc1_5107)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.605	2.151
High resolution limit [Å]	2.030	2.034
Number of reflections	52111	2606
<I/σ(I)>	10.3	1.6
Completeness [%]	89.8	41.1
Redundancy	7.9	8.3
CC(1/2)	0.995	0.484

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	25% PEG Smear Broad (mixture of PEG 400, 550 MME, 600, 1000, 2000, 3350, 4000, 5000 MME, 6000, 8000, and 10000), 0.2 M lithium sulfate, 0.1 M HEPES pH 7.2 200 nL sample + 100 nL precipitant solution