1F94

THE 0.97 RESOLUTION STRUCTURE OF BUCANDIN, A NOVEL TOXIN ISOLATED FROM THE MALAYAN KRAIT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-03-12
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	76.970, 22.520, 32.600
Unit cell angles	90.00, 100.23, 90.00

Refinement procedure

Resolution	10.000 - 0.970
R-factor	0.1234
Rwork	0.124
R-free	0.17700
RMSD bond length	0.017
RMSD bond angle	2.260
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SnB
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.000	0.990
High resolution limit [Å]	0.970	0.970
Rmerge	0.054	0.664 *
Total number of observations	119818 *
Number of reflections	33370
<I/σ(I)>	10.9
Completeness [%]	99.5	94.6 *
Redundancy	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	iso-propanol, ammonium acetate, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	2-propanol	30 (%)
3	1	reservoir	Tris-HCl	0.1 (M)
4	1	reservoir	ammonium acetate	0.2 (M)