8VSN

Ternary structure of 14-3-3 sigma, ARAF phosphopeptide (pS214) and compound 79 (1124379)

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 2
Unit cell lengths	62.576, 150.225, 76.816
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.760 - 1.910
R-factor	0.24141
Rwork	0.240
R-free	0.27206
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.573
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PDB-REDO (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.760	1.950
High resolution limit [Å]	1.910	1.910
Number of reflections	58185	1897
<I/σ(I)>	19.8	1.5
Completeness [%]	99.9
Redundancy	13.5
CC(1/2)	0.998	0.631

Crystallization Conditions

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