1O43

CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82129.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ELLIOTT GX-21
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-10-07
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	26.440, 58.656, 64.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.500
R-factor	0.196
Rwork	0.196
Structure solution method	MR
Starting model (for MR)	1shd
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	XDS
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	1.500
Rmerge	0.054 *
<I/σ(I)>	13
Completeness [%]	98.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.5		Lesuisse, D., (2002) J.Med.Chem., 45, 2379. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG400	15 (%)
2	1	reservoir	DMSO	10 (%)
3	1	reservoir	MES	100 (mM)	pH5.5
4	1	reservoir	dithiothreitol	10 (mM)
5	1	drop	protein	60-80 (mg/ml)
6	1	drop	dithiothreitol	10 (mM)	pH5.5