1CJ1

GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-10-10
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	73.800, 93.300, 232.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.000 - 3.000
R-factor	0.305 *
Rwork	0.305
R-free	0.31700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tze
RMSD bond length	0.027
RMSD bond angle	24.630 *
Data reduction software	XDS
Phasing software	AMoRE
Refinement software	X-PLOR (3.1F)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.120	3.500
High resolution limit [Å]	3.000	3.000
Rmerge	0.200 *
Number of reflections	31921
<I/σ(I)>	8.46	3.27
Completeness [%]	96.0	96
Redundancy	3.91	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		0.1 M HEPES.NA PH 7.5 1.4 M NA- ACETATE, VAPOR DIFFUSION

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-10.4 (mg/ml)
2	1	drop	compound 2b		5 fold molar excess
3	1	reservoir	HEPES	0.1 (M)
4	1	reservoir	sodium acetate	1.4 (M)