8BE2

Crystal structure of SOS1-Nanobody77

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-30
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97622
Spacegroup name	P 21 21 21
Unit cell lengths	80.533, 102.933, 108.494
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.590 - 1.898
R-factor	0.182832527744
Rwork	0.181
R-free	0.21063
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkd
RMSD bond length	0.007
RMSD bond angle	0.796
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.590	2.010
High resolution limit [Å]	1.898	1.898
Number of reflections	137616	22066
<I/σ(I)>	14.38
Completeness [%]	99.8
Redundancy	6.9
CC(1/2)	0.990	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	ammonium sulfate 1.5 M, Tris 0.1 M pH 8.5