6M64

Crystal structure of SMAD2 in complex with CBP

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	PIXEL
Collection date	2018-12-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	68.371, 70.803, 165.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.673 - 1.450
R-factor	0.1703
Rwork	0.169
R-free	0.18930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zoj
RMSD bond length	0.013
RMSD bond angle	1.286
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.140	1.470
High resolution limit [Å]	1.450	1.450
Rpim	0.019	0.412
Number of reflections	142487	6970
<I/σ(I)>	24.7	2.6
Completeness [%]	100.0
Redundancy	13
CC(1/2)	1.000	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	0.1 M HEPES pH 7.2, 0.2 M NaCl and 31% PEG3350