9EH9

Crystal structure of unbound N-SH2 domain of SHP2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0004
Spacegroup name	P 43 21 2
Unit cell lengths	60.464, 60.464, 78.293
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.750 - 1.830
R-factor	0.2322
Rwork	0.230
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.813
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5015)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.750	1.900
High resolution limit [Å]	1.830	1.830
Number of reflections	13292	1420
<I/σ(I)>	26
Completeness [%]	99.5
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 of 10 mg/mL SHP2 N-SH2 in 50 mM Bis-Tris pH 6.5, 50 mM NaCl, 1 mM TCEP; 500 nL of 1.0 M sodium malonate pH 5.0, 0.1 M sodium acetate trihydrate pH 4.5, and 2% w/v polyethylene glycol 20,000