8BEA

Crystal structure of SOS1-HRas-peptidomimetic10

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	2020-02-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980105
Spacegroup name	I 4 2 2
Unit cell lengths	150.320, 150.320, 203.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.660 - 2.470
R-factor	0.1904
Rwork	0.188
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkd
RMSD bond length	0.013
RMSD bond angle	1.348
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]	48.660	2.620
High resolution limit [Å]	2.470	2.470
Number of reflections	41859	6546
<I/σ(I)>	20.93
Completeness [%]	99.7
Redundancy	27
CC(1/2)	0.990	0.850

Crystallization Conditions

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