9QA5

Structure of the N-SH2 domain of SHP2 in complex with the phosphoY627-Gab1 (613-651) peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-14
Detector	RIGAKU HyPix-Arc 150
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	60.780, 60.780, 69.847
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.870 - 2.080
R-factor	0.2281
Rwork	0.226
R-free	0.27290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.950
Data reduction software	XDS (VERSION Jan 31, 2020 BUILT=20200417)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.850	2.140
High resolution limit [Å]	2.080	2.080
Rmeas	0.137	0.950
Number of reflections	8364	633
<I/σ(I)>	14	2.9
Completeness [%]	100.0	100
Redundancy	14.2	13.3
CC(1/2)	0.998	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	5 % PEG3350, 0.2 M NaCl, 0.1 M BisTris, pH 5.5