5I6V

Structure of F285S, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	45.822, 214.263, 55.472
Unit cell angles	90.00, 96.08, 90.00

Refinement procedure

Resolution	55.160 - 1.870
R-factor	0.2029
Rwork	0.201
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2shp
RMSD bond length	0.004
RMSD bond angle	0.778
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.160	1.937
High resolution limit [Å]	1.870	1.870
Rmerge	0.142	0.644
Number of reflections	86484
<I/σ(I)>	8.36	1.65
Completeness [%]	99.0	98.1
Redundancy	2.5	2.6
CC(1/2)	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		297	0.2M Sodium Malonate, pH7.0, 20% w/v PEG3350