1A08

C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)

Experimental procedure

Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1994-03
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	51.900, 67.400, 75.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.200
R-factor	0.192
Rwork	0.192
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1shd
RMSD bond length	0.015
RMSD bond angle	23.090 *
Data reduction software	R-AXIS
Data scaling software	R-AXIS
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.086	0.230
Number of reflections	12482
<I/σ(I)>	10	3.3
Completeness [%]	93.4	88
Redundancy	3.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6	4 *	PROTEIN WAS CRYSTALLIZED FROM 0.1 M ACETATE, PH 4.6, 2.1 M AMMONIUM SULFATE AT 4 C., temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	125 (mg/ml)
2	1	drop	HEPES	20 (mM)
3	1	drop		350 (mM)
4	1	drop	dithiothreitol	5 (mM)
5	1	drop	EDTA	5 (mM)
6	1	reservoir	acetate	0.1 (M)
7	1	reservoir	ammonium sulfate	2.1 (M)