8BE7

Crystal structure of SOS1-HRas-peptidomimetic3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978565037
Spacegroup name	I 4 2 2
Unit cell lengths	143.050, 143.050, 208.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.050 - 3.000
R-factor	0.2257
Rwork	0.224
R-free	0.26650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkd
RMSD bond length	0.005
RMSD bond angle	0.968
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]	47.051	3.180
High resolution limit [Å]	3.000	3.000
Number of reflections	21977	3448
<I/σ(I)>	18.9
Completeness [%]	99.8
Redundancy	26.7
CC(1/2)	0.990	0.800

Crystallization Conditions

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