1GCP

CRYSTAL STRUCTURE OF VAV SH3 DOMAIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	1999-05-01
Detector	RIGAKU RAXIS IV
Spacegroup name	P 1 21 1
Unit cell lengths	32.205, 101.115, 39.707
Unit cell angles	90.00, 91.34, 90.00

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.196
Rwork	0.193
R-free	0.25300
Structure solution method	MR
Starting model (for MR)	Vav SH3 domain in 1GCQ
RMSD bond length	0.011
RMSD bond angle	28.260 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000 *	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.035	0.078
Total number of observations	84381 *
Number of reflections	14004
<I/σ(I)>	34.9
Completeness [%]	94.2	70.7
Redundancy	6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.5	4 *	PEG4000, tris(hydroxymethyl)aminomethane, isopropanol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.2K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5.0 (mM)
2	1	reservoir	Tris-HCl	100 (mM)
3	1	reservoir	PEG4000	30 (%(w/v))
4	1	reservoir	isopropanol	9 (%(v/v))