1NZL

Crystal Structure of Src SH2 domain bound to doubly phosphorylated peptide PQpYEpYIPI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	200
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	100.321, 68.455, 29.732
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.900
R-factor	0.223
Rwork	0.223
R-free	0.26300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sps
RMSD bond length	0.006
RMSD bond angle	23.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.900	1.890 *
Rmerge	0.069 *	0.163 *
Total number of observations	205689 *
Number of reflections	17153
Completeness [%]	97.4	93.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	296	PEG 4000,magnesium chloride, hepes, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	60 (mg/ml)
2	1	reservoir	PEG4000	34 (%)
3	1	reservoir	HEPES	0.1 (M)	pH8.0
4	1	reservoir		0.2 (M)