6ZVQ

Complex between SMAD2 MH2 domain and peptide from Ski corepressor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9686
Spacegroup name	I 21 3
Unit cell lengths	113.820, 113.820, 113.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.910 - 2.030
R-factor	0.1665
Rwork	0.164
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1khx
RMSD bond length	0.007
RMSD bond angle	0.918
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.910	2.104
High resolution limit [Å]	2.030	2.031
Rmerge	0.125	1.469
Rmeas	0.132	1.547
Rpim	0.042	0.485
Number of reflections	15983	1565
<I/σ(I)>	12.24	1.89
Completeness [%]	100.0	100
Redundancy	10	10.1
CC(1/2)	0.998	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	1.5M Ammonium Sulphate, 0.15M Sodium Potassium Tartrate, 0.08M Tri-Sodium Citrate pH 5.6, 25% v/v Glycerol