8QSC

Ternary structure of 14-3-3s, ARAF phosphopeptide (pS214) and compound 22 (1083853).

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	P 2 21 21
Unit cell lengths	60.854, 89.580, 117.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.310 - 1.800
R-factor	0.1765
Rwork	0.175
R-free	0.20447
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.780	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	60058	3546
<I/σ(I)>	25.7	5.1
Completeness [%]	99.6
Redundancy	13.4
CC(1/2)	0.999	0.953

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