6FAU

Crystal structure of C-terminal modified Tau peptide-hybrid 4.2e-I with 14-3-3sigma

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	2016-09-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977930
Spacegroup name	P 21 21 21
Unit cell lengths	62.800, 70.260, 128.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.350 - 1.250
R-factor	0.1457
Rwork	0.145
R-free	0.16420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hf3
RMSD bond length	0.006
RMSD bond angle	0.833
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.350	47.350	1.270
High resolution limit [Å]	1.250	6.850	1.250
Rmerge	0.085	0.058	1.152
Rmeas	0.088	0.061	1.201
Rpim	0.025	0.017	0.337
Total number of observations	1915223
Number of reflections	157056	1105	7724
<I/σ(I)>	13.9
Completeness [%]	100.0	99.8	99.9
Redundancy	12.2	12.8	12.5
CC(1/2)	0.999	0.996	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	25% PEG400, 10 mM HEPES pH 7.1, 5% glycerol, 0.19 M CaCl2