1JYQ

Xray Structure of Grb2 SH2 Domain Complexed with a Highly Affine Phospho Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF
Synchrotron site	ESRF
Temperature [K]	100
Detector technology	CCD
Collection date	1999-09-23
Wavelength(s)	0.933
Spacegroup name	P 61 2 2
Unit cell lengths	60.999, 60.999, 177.046
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 * - 2.000
R-factor	0.185 *
Rwork	0.185
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.027
RMSD bond angle	25.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.000
Rmerge	0.057 *	0.095 *
Total number of observations	434272 *
Number of reflections	14016 *
Completeness [%]	99.8	100 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6	291	Ammonium phosphate, PEG400, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium phosphate	2.3 (M)
2	1	1	PEG400	4 (%(w/v))
3	1	1	sodium cacodylate	50 (mM)
4	1	1	protein	19 (mg/ml)