4FL5

Crystal structure of human 14-3-3 sigma in complex with a Tau-protein peptide surrounding pS214

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-08-25
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	62.690, 70.080, 128.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.640 - 1.900
R-factor	0.1589
Rwork	0.156
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	1.951
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.643		2.000
High resolution limit [Å]	1.900	12.000	1.900
Rmerge	0.047	0.018	0.233
Number of reflections	45097	163	6338
<I/σ(I)>	21.78	54.72	5.88
Completeness [%]	99.6	74.1	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1 M Hepes/NaOH pH 7.5, 0.2 M CaCl2, 28% PEG 400, 5% glycerol, 2 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 277K