1P13

Crystal Structure of the Src SH2 Domain Complexed with Peptide (SDpYANFK)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	2001-06-11
Detector	MACSCIENCE DIP100S
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	58.384, 58.793, 62.662
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.880 - 1.600 *
R-factor	0.207
Rwork	0.207
R-free	0.24700 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.029
RMSD bond angle	30.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.900	1.660
High resolution limit [Å]	1.600	1.630
Rmerge	0.057 *	0.423 *
Total number of observations	234548 *
Number of reflections	27413
Completeness [%]	98.0	69

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	4 *	PEG 8000, sodium acetate, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	30 (%(w/v))
2	1	reservoir	sodium acetate	0.2 (M)
3	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5
4	1	reservoir	dithiothreitol	1 (mM)
5	1	drop	protein	18 (mg/ml)