6SCM

SOS1 in Complex with Inhibitor BI-3406

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	2016-08-08
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	38.007, 78.740, 168.924
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.460 - 1.866
R-factor	0.2
Rwork	0.199
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.462	1.981
High resolution limit [Å]	1.866	1.866
Rmerge	0.132
Rpim	0.044	0.694
Number of reflections	34879	1744
<I/σ(I)>	12
Completeness [%]	80.6
Redundancy	9.6
CC(1/2)	0.998	0.342

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	13% PEG8000, 0.1M Imidazole pH=8.0