4OHI

LEOPARD Syndrome-Associated SHP2/Q510E mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97857
Spacegroup name	P 21 21 2
Unit cell lengths	55.346, 219.180, 41.704
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.530 - 2.200
R-factor	0.2104
Rwork	0.207
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dgp
RMSD bond length	0.008
RMSD bond angle	1.075
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.135	0.733
Number of reflections	119547
<I/σ(I)>	19.4	1.581
Completeness [%]	98.2	92.7
Redundancy	4.4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	293	18% PEG3350, 200 mM KF, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K