8Q55

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 21
Unit cell lengths	81.979, 112.047, 62.538
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.160 - 1.300
R-factor	0.14328
Rwork	0.142
R-free	0.16808
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PDB-REDO

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.160	1.320
High resolution limit [Å]	1.300	1.300
Number of reflections	70795	3454
<I/σ(I)>	14	1.7
Completeness [%]	99.8
Redundancy	11.7
CC(1/2)	0.999	0.693

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