5ZOK

Crystal structure of human SMAD1-MAN1 complex.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2017-07-26
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.54
Spacegroup name	P 41 3 2
Unit cell lengths	187.050, 187.050, 187.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.912 - 2.850
R-factor	0.2169
Rwork	0.215
R-free	0.25490
RMSD bond length	0.003
RMSD bond angle	0.618
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP
Refinement software	PHENIX (1.12rc2_2821: ???)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.760	46.760	3.000
High resolution limit [Å]	2.850	9.010	2.850
Rmerge	0.097	0.022	0.791
Rmeas	0.106	0.024	0.867
Rpim	0.042	0.010	0.350
Total number of observations	160567
Number of reflections	26645	930	3775
<I/σ(I)>	15.5
Completeness [%]	99.6	95.9	98.9
Redundancy	6	5.4	5.9
CC(1/2)	0.998	0.999	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293	0.1M MES, 10% PEG20,000