1JYU

Xray Structure of Grb2 SH2 Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	290
Wavelength(s)	0.980
Spacegroup name	I 4 2 2
Unit cell lengths	81.329, 81.329, 80.697
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 * - 2.750
R-factor	0.231 *
Rwork	0.231
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	26.300 *
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]	2.750
Rmerge	0.071 *	0.380 *
Total number of observations	62581 *
Number of reflections	3698 *
Completeness [%]	98.5	97.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6	291	PEG4000, glycerol, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG4000	6 (%(w/v))
2	1	1	glycerol	22 (%(v/v))
3	1	1	sodium cacodylate	50 (mM)	pH6.0