6ATD

Oxidized SHP2 forms a disulfide bond between Cys367 and Cys459

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-28
Detector	ADSC QUANTUM 270
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	46.292, 216.135, 55.709
Unit cell angles	90.00, 97.25, 90.00

Refinement procedure

Resolution	38.724 - 2.500
R-factor	0.1973
Rwork	0.195
R-free	0.24530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2shp
RMSD bond length	0.004
RMSD bond angle	0.653
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500
Rmerge	0.103
Number of reflections	37960
<I/σ(I)>	18.5
Completeness [%]	98.3
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.1	277	0.2 M sodium phosphate, 20% (w/v) PEG 3350