8QSF

Ternary structure of 14-3-3s, BRAF phosphopeptide (pS365) and compound 22 (1083853).

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	P 2 21 21
Unit cell lengths	60.999, 88.190, 118.015
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.000 - 1.800
R-factor	0.17975
Rwork	0.179
R-free	0.20257
Structure solution method	MOLECULAR REPLACEMENT
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]	61.000	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	59487	3468
<I/σ(I)>	18.8	2.8
Completeness [%]	99.6
Redundancy	13.4
CC(1/2)	0.995	0.864

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