3TL0

Structure of SHP2 N-SH2 domain in complex with RLNpYAQLWHR peptide

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
Collection date	2001-03-05
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	62.749, 62.749, 75.323
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.110 - 2.050
R-factor	0.19448
Rwork	0.193
R-free	0.23358
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ayd
RMSD bond length	0.025
RMSD bond angle	2.096
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP (of CCP4)
Refinement software	REFMAC (5.5.0100)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.200	2.130
High resolution limit [Å]	2.050	2.050
Rmerge	0.064	0.364
Number of reflections	9943
<I/σ(I)>	46.5	6.7
Completeness [%]	99.0	100
Redundancy	10.9	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	20% PEG 3350, 0.1 M bis-Tris, 0.2 M Li2SO4, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K