6EPL

Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91841
Spacegroup name	I 4 2 2
Unit cell lengths	149.522, 149.522, 202.101
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.390 - 2.550
R-factor	0.19192
Rwork	0.190
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkd
RMSD bond length	0.007
RMSD bond angle	1.141
Data reduction software	XDS (VERSION Jun 17, 2015)
Data scaling software	XDS (VERSION Jun 17, 2015)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.400	2.700
High resolution limit [Å]	2.550	2.550
Rmeas	0.164	0.942
Number of reflections	37373	5894
<I/σ(I)>	13	2.2
Completeness [%]	99.0	98.3
Redundancy	9.5	8.6
CC(1/2)	0.997	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	Drops made from KRAS SOS1 complex (11.3 mg/ml in 5 mM Tris pH 7.5, 100 mM NaCl) and reservoir solution (3.65 M sodium Formate). No cryo protectant added.