1E7O

A-SPECTRIN SH3 DOMAIN A11V, V23L, M25V, V44I, V58L MUTATIONS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE M18X
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-05-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	28.000, 41.760, 52.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 * - 3.000 *
R-factor	0.234
Rwork	0.234
R-free	0.27500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1shg
RMSD bond length	0.011
RMSD bond angle	26.788 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000 *	3.500
High resolution limit [Å]	3.000 *	3.200
Rmerge	0.134	0.138
Number of reflections	1172 *
Completeness [%]	82.9	77.1
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6	20 *	PROTEIN WAS CRYSTALLIZED FROM 1.1 M AMMONIUM SULPHATE, 90MM SODIUM CITRATE/CITRIC ACID, PH=6.0, 90 MM BIS-TRIS PROPANE, 0.9 MM EDTA, 0.9 MM DTT, 0.9 MM SODIUM AZIDE, pH 6.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate
2	1	reservoir	PEG4000