1H8K

A-SPECTRIN SH3 DOMAIN A11V, V23L, M25V, V53I, V58L MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE M18X
Temperature [K]	100
Collection date	2000-11-15
Detector	SMALL MARRESEARCH IMAGING PLATE
Spacegroup name	P 21 21 21
Unit cell lengths	24.510, 33.236, 62.609
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.700
R-factor	0.211
Rwork	0.211
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1shg
RMSD bond length	0.011
RMSD bond angle	1.850
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]	12.000	2.820
High resolution limit [Å]	2.700	2.700
Rmerge	0.110
Number of reflections	2863
Completeness [%]	88.8	71.3
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.5		PROTEIN WAS CRYSTALLIZED FROM 1.1 M AMMONIUM SULPHATE, 0.1M ACETATE/AC. ACETIC, PH=4.5, 90 MM BIS-TRIS PROPANE, 0.9 MM SODIUM AZIDE, pH 4.50