8BE8

Crystal structure of SOS1-HRas-peptidomimetic4

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	2019-11-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.978565
Spacegroup name	I 4 2 2
Unit cell lengths	150.060, 150.060, 202.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.560 - 2.400
R-factor	0.2084
Rwork	0.207
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkd
RMSD bond length	0.012
RMSD bond angle	1.130
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]	48.567	2.540
High resolution limit [Å]	2.396	2.400
Number of reflections	45410	7141
<I/σ(I)>	19.15
Completeness [%]	99.7
Redundancy	27
CC(1/2)	0.990	0.870

Crystallization Conditions

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