1A0M

1.1 ANGSTROM CRYSTAL STRUCTURE OF A-CONOTOXIN [TYR15]-EPI

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	286
Detector technology	IMAGE PLATE
Collection date	1996-07-27
Detector	RIGAKU
Spacegroup name	I 4
Unit cell lengths	44.400, 44.400, 23.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.100
R-factor	0.161
Rwork	0.161
R-free	0.17800
Structure solution method	DIRECT METHODS
RMSD bond length	0.006
RMSD bond angle	23.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHAKE-N-BAKE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.140
High resolution limit [Å]	1.100	1.100
Rmerge	0.071	0.240
Total number of observations	38406 *
Number of reflections	9265
<I/σ(I)>	25	5
Completeness [%]	97.4	87
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5	4 *	pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	peptide	15 (mg/ml)