9F35

Co-crystal structure of 14-3-3sigma in complex with B-Raf pS365 phosphopeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.969
Spacegroup name	C 2 2 21
Unit cell lengths	84.782, 115.252, 64.671
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.630 - 2.300
R-factor	0.2127
Rwork	0.208
R-free	0.29820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.281
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.630	2.381
High resolution limit [Å]	2.299	2.299
Number of reflections	14439	1417
<I/σ(I)>	3.7
Completeness [%]	99.9	99.72
Redundancy	3.74
CC(1/2)	0.974	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277.15	0.1M Hepes pH 7.5, 28% PEG400, 0.2M Cacl2, 5% Glycerol