8S42

Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 80 (1124898)

This is a non-PDB format compatible entry.

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 21
Unit cell lengths	81.701, 112.302, 63.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.630 - 1.700
R-factor	0.175
Rwork	0.174
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.901
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]	45.630	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	32215	1676
<I/σ(I)>	13.6	2.2
Completeness [%]	99.8
Redundancy	13.1
CC(1/2)	0.998	0.786

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