8QSD

Ternary structure of 14-3-3s, BRAF phosphopeptide (pS365) and compound 79 (1124379).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-12
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967697
Spacegroup name	C 1 2 1
Unit cell lengths	148.277, 63.621, 73.294
Unit cell angles	90.00, 100.46, 90.00

Refinement procedure

Resolution	58.310 - 2.000
R-factor	0.217
Rwork	0.216
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.884
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]	58.310	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	44841	3328
<I/σ(I)>	9.1	1.7
Completeness [%]	98.5
Redundancy	6.5
CC(1/2)	0.994	0.800

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