8QS5

Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 21 (1075354)

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	61.969, 150.613, 75.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.860 - 2.000
R-factor	0.2036
Rwork	0.202
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.913
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]	75.820	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	23586	1778
<I/σ(I)>	15.3	1.7
Completeness [%]	96.6
Redundancy	13.4
CC(1/2)	0.999	0.867

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