8VSO

Ternary structure of 14-3-3 sigma, BRAF phosphopeptide (pS365) and compound 78 (1124378)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-12
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967697
Spacegroup name	C 2 2 21
Unit cell lengths	82.180, 112.457, 62.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.420 - 1.500
R-factor	0.16884
Rwork	0.168
R-free	0.18877
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]	45.650	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	46960	2289
<I/σ(I)>	14.3	1.8
Completeness [%]	100.0
Redundancy	11.8
CC(1/2)	0.999	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	PEG4000, HEPES, CaCl2, glycerol