6SFR

SOS1 in Complex with Inhibitor BI-68BS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-11
Detector	RIGAKU
Wavelength(s)	1.541800
Spacegroup name	P 1 21 1
Unit cell lengths	84.000, 39.292, 176.494
Unit cell angles	90.00, 90.03, 90.00

Refinement procedure

Resolution	84.000 - 1.917
R-factor	0.2
Rwork	0.198
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse
Data reduction software	XDS (Jan 26, 201)
Data scaling software	autoPROC (1.1.7)
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.000	2.028
High resolution limit [Å]	1.917	1.917
Rmerge	0.052	0.433
Number of reflections	74854	3744
<I/σ(I)>	14	1.5
Completeness [%]	83.4	27.4
Redundancy	2.8	1.5
CC(1/2)	0.998	0.653

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.4	277	0.1 M Imidazole, 3% PEG8000