9S2J

Ternary structure of 14-3-3s, CRAF S257L NS mutant phosphopeptide (pS259) and compound 78 (1084378)

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	2023-05-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873130
Spacegroup name	C 2 2 21
Unit cell lengths	82.641, 112.776, 62.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.780 - 1.500
R-factor	0.1816
Rwork	0.180
R-free	0.20258
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.481
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]	66.660	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	47241	2299
<I/σ(I)>	9.4
Completeness [%]	99.8
Redundancy	13
CC(1/2)	0.982	0.830

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