9QNK

Tau pT245 phosphopeptide binding to 14-3-3sigma

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-14
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.873128
Spacegroup name	C 2 2 21
Unit cell lengths	82.915, 113.043, 63.168
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.960 - 1.600
R-factor	0.16939
Rwork	0.168
R-free	0.19581
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.367
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PDB-REDO

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.960	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	34194	1931
<I/σ(I)>	14.6	2.4
Completeness [%]	86.5
Redundancy	12.3
CC(1/2)	0.999	0.777

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400