7AVV

Crystal structure of SOS1 in complex with compound 9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	38.720, 79.211, 168.156
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.080 - 2.120
R-factor	0.2008
Rwork	0.199
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7avi
RMSD bond length	0.008
RMSD bond angle	0.860
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.090	2.240
High resolution limit [Å]	2.120	2.120
Number of reflections	25699	1286
<I/σ(I)>	9
Completeness [%]	84.8
Redundancy	9
CC(1/2)	0.998	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	6-11 % PEG 8000, 2 mM DTT, 60 mM Tris