4JEG

Crystal Structure of Monobody CS1/SHP2 C-SH2 Domain Complex

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	2012-06-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979180
Spacegroup name	P 61
Unit cell lengths	111.700, 111.700, 31.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.347 - 2.300
R-factor	0.1888
Rwork	0.187
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.885
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.350	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.062	0.423
Number of reflections	10358
<I/σ(I)>	21.2	4.4
Completeness [%]	99.6	99.6
Redundancy	7.9	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	25% PEG 3350, 0.1M Bis-tris, 0.2M Sodium Chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K