8QSA

Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 86 (1084384)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.885603
Spacegroup name	C 2 2 2
Unit cell lengths	62.253, 149.416, 76.762
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.590 - 1.800
R-factor	0.1979
Rwork	0.196
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.162
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.760	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	33021	1946
<I/σ(I)>	20	2.3
Completeness [%]	98.3
Redundancy	13.3
CC(1/2)	0.998	0.890

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