1AKG

ALPHA-CONOTOXIN PNIB FROM CONUS PENNACEUS

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	286
Detector technology	IMAGE PLATE
Collection date	1996-03
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	14.600, 26.100, 29.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.100
R-factor	0.147
Rwork	0.147
R-free	0.15700
Structure solution method	DIRECT METHOD
RMSD bond length	0.006
RMSD bond angle	22.000 *
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	1.200
High resolution limit [Å]	1.100	1.100
Rmerge	0.080 *	0.311 *
Total number of observations	39641 *
Number of reflections	4483
<I/σ(I)>	15.9	3.6
Completeness [%]	91.5	73.8 *
Redundancy	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	14 *	macro-seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PnIB	5 (mg/ml)
2	1	reservoir	sodium formate	1.0 (M)