9S2K

Ternary structure of 14-3-3s, CRAF V263A NS mutant phosphopeptide (pS259), and compound 78 (1124378)

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	2024-04-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873128
Spacegroup name	C 2 2 2
Unit cell lengths	62.453, 150.660, 76.958
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.960 - 2.150
R-factor	0.20579
Rwork	0.204
R-free	0.23324
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.742
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]	76.960	2.210
High resolution limit [Å]	2.150	2.150
Number of reflections	20154	1597
<I/σ(I)>	9.9
Completeness [%]	99.9
Redundancy	12.5
CC(1/2)	0.997	0.797

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