6FI5

Crystal structure of C-terminal modified Tau peptide-hybrid 3.2d with 14-3-3sigma

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.033200
Spacegroup name	C 2 2 21
Unit cell lengths	81.928, 112.209, 62.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.380 - 1.700
R-factor	0.1886
Rwork	0.187
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hf3
RMSD bond length	0.004
RMSD bond angle	0.607
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]	45.380	45.380	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.225	0.057	1.903
Rmeas	0.236	0.060	2.000
Rpim	0.070	0.017	0.607
Number of reflections	31995	260	1661
<I/σ(I)>	8.4
Completeness [%]	100.0	99.5	100
Redundancy	11.1	11	10.6
CC(1/2)	0.995	0.997	0.428

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	25% PEG400, 20 mM HEPES, pH 7.1, 5% glycerol, 0.19 M CaCl2