4DGX

LEOPARD Syndrome-Associated SHP2/Y279C mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97915
Spacegroup name	P 21 21 2
Unit cell lengths	55.140, 225.120, 40.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.875 - 2.300
R-factor	0.2117
Rwork	0.209
R-free	0.26620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.115
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.081	0.658
Number of reflections	23562
<I/σ(I)>	31.07	1.9
Completeness [%]	99.8	100
Redundancy	7.3	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	293	20% PEG3350, 300 mM potassium formate, 10 mM calcium chloride, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K