1NOT

THE 1.2 ANGSTROM STRUCTURE OF G1 ALPHA CONOTOXIN

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1995-03-15
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	14.900, 14.600, 22.600
Unit cell angles	90.00, 100.29, 90.00

Refinement procedure

Resolution	6.000 - 1.200
R-factor	0.178
Rwork	0.178
R-free	0.22200
Structure solution method	DIRECT METHODS
RMSD bond length	0.007
RMSD bond angle	26.110 *
Data reduction software	PROCESS
Data scaling software	PROCESS
Phasing software	SHAKE-N-BAKE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	1.200
High resolution limit [Å]	1.100	1.100
Rmerge	0.072	0.335
Total number of observations	24031 *
Number of reflections	3597
<I/σ(I)>	13.64	4.23
Completeness [%]	95.8 *	54.9
Redundancy	7.6	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.2	4 *	pH 5.2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	peptide	45 (mg/ml)
2	1	1	PEG20000