4Y5I

Crystal structure of C-terminal modified Tau peptide-hybrid 126B 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	2013-02-27
Detector	PSI PILATUS 6M
Wavelength(s)	0.99983
Spacegroup name	P 21 21 21
Unit cell lengths	63.105, 70.213, 129.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.125 - 1.400
R-factor	0.1483
Rwork	0.147
R-free	0.17160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fl5
RMSD bond length	0.005
RMSD bond angle	0.960
Data scaling software	SCALA (3.3.20)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.553	46.934	1.480
High resolution limit [Å]	1.400	4.430	1.400
Rmerge		0.069	0.760
Rmeas	0.081
Rpim	0.022	0.020	0.217
Total number of observations	1497659	49054	216271
Number of reflections	113518
<I/σ(I)>	17.7	39.9	3.9
Completeness [%]	100.0	99.9	100
Redundancy	13.2	12.6	13.2

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