8QS2

Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 29 (1076409)

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	62.270, 148.983, 76.532
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.490 - 2.000
R-factor	0.2025
Rwork	0.201
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.865
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]	76.530	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	24504	1796
<I/σ(I)>	17.2	1.5
Completeness [%]	100.0
Redundancy	13.5
CC(1/2)	0.999	0.790

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