6YIC

14-3-3 sigma in complex with SMAD4 pS403 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-09
Detector	PSI PILATUS 6M
Wavelength(s)	1.00001
Spacegroup name	C 2 2 21
Unit cell lengths	81.990, 111.830, 62.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.360 - 1.600
R-factor	0.1694
Rwork	0.168
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mhr
RMSD bond length	0.005
RMSD bond angle	0.748
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (7.0.024)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.360	1.640
High resolution limit [Å]	1.600	1.600
Number of reflections	38169	6243
<I/σ(I)>	10.86	1.91
Completeness [%]	100.0
Redundancy	13.21
CC(1/2)	0.995	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.1 M HEPES pH7.5 0.19 M CaCl2 5% glycerol 28% PEG400