1RPY

CRYSTAL STRUCTURE OF THE DIMERIC SH2 DOMAIN OF APS

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	90
Collection date	2002-07-18
Spacegroup name	P 31 2 1
Unit cell lengths	78.378, 78.378, 67.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.228
Rwork	0.228
R-free	0.25500 *
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.051 *	0.183 *
Total number of observations	75619 *
Number of reflections	19797 *
<I/σ(I)>	19.8
Completeness [%]	96.4 *	98.7 *
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	4 *	Ammonium sulfate/tris, pH 7.5, pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	reservoir	ammonium sulfate	1.4 (M)
3	1	reservoir	Tris	100 (M)	pH7.5