8BE9

Crystal structure of SOS1-HRas-peptidomimetic5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980105
Spacegroup name	I 4 2 2
Unit cell lengths	150.410, 150.410, 200.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.650 - 2.510
R-factor	0.192
Rwork	0.190
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkd
RMSD bond length	0.009
RMSD bond angle	1.013
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.655	2.660
High resolution limit [Å]	2.510	2.510
Number of reflections	39342	6003
<I/σ(I)>	17.05
Completeness [%]	99.2
Redundancy	26.2
CC(1/2)	0.990	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	sodium formate 3 M, Tris 100mM pH 8.0