1NEG

Crystal Structure Analysis of N-and C-terminal labeled SH3-domain of alpha-Chicken Spectrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2000-11-07
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	41.865, 41.865, 92.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.100 * - 2.300
R-factor	0.2
Rwork	0.200
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1shg
RMSD bond length	0.011
RMSD bond angle	26.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.000 *	2.330
High resolution limit [Å]	2.300	2.300
Rmerge	0.109 *	0.461 *
Number of reflections	3858
<I/σ(I)>	13.05	1.94
Completeness [%]	99.2	95.6
Redundancy	4.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Dioxane, MES, Ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K