9EIK

Crystal structure of N-SH2 domain of SHP2 with T42A mutation bound to GAB1 tyrosine phosphorylated peptide (624-633) QVEpYLDLDLD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 43 21 2
Unit cell lengths	62.130, 62.130, 74.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.820 - 1.250
R-factor	0.2084
Rwork	0.207
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.604
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.820	1.280
High resolution limit [Å]	1.250	1.250
Number of reflections	40860	2847
<I/σ(I)>	7.1
Completeness [%]	99.9	99.58
Redundancy	15
CC(1/2)	1.000	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	500 nL 10 mg/mL SHP2 N-SH2 with GAB1 peptide QVEpYLDLDLD (1:1.05 molar ratio) with 500 nL 0.2 M potassium sodium tartrate tetrahydrate, 0.1 M sodium citrate tribasic dihydrate pH 5.6, and 2.0 M Ammonium sulfate