4Y3B

Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-27
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	63.062, 70.283, 128.778
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.491 - 1.800
R-factor	0.166
Rwork	0.165
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fl5
RMSD bond length	0.009
RMSD bond angle	1.182
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.9)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.423		1.800
High resolution limit [Å]	1.800	5.000	1.700
Rmerge	0.041	0.023	0.320
Rmeas	0.044	0.025	0.348
Total number of observations	408200
Number of reflections	63066	2617	9807
<I/σ(I)>	29.72	63.79	7.08
Completeness [%]	99.6	96.2	99.9
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	277	0.1 M Hepes/NaOH pH 7.1, 0.19 M CaCl2, 24% PEG 400, 5% glycerol