8QS4

Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 22 (1083853)

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	62.300, 149.224, 76.442
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.020 - 2.000
R-factor	0.2135
Rwork	0.212
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.889
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]	76.440	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	24193	1791
<I/σ(I)>	12.9	2.4
Completeness [%]	98.6
Redundancy	13
CC(1/2)	0.998	0.916

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