9GHK

Crystal structure of Fyn SH3 domain/tau 214-220 peptide complex

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	2021-09-20
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	35.631, 54.163, 66.868
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.090 - 1.420
R-factor	0.17968
Rwork	0.178
R-free	0.21847
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.929
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.090	1.470
High resolution limit [Å]	1.420	1.420
Number of reflections	25040	2408
<I/σ(I)>	27
Completeness [%]	99.6
Redundancy	12.9
CC(1/2)	0.999	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M NaCl, 0.4 M NaH2PO4, 1.5 M K2HPO4, 0.1 M imidazole pH 7.5