2ERA

RECOMBINANT ERABUTOXIN A, S8G MUTANT

Experimental procedure

Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	278
Detector technology	IMAGE PLATE
Collection date	1993-09
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	49.650, 46.590, 21.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.810
R-factor	0.18
Rwork	0.180
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	STRUCTURE OF RECOMBINANT ERABUTOXIN A PROVIDED BY DR.B.ARNOUX
RMSD bond length	0.008
RMSD bond angle	26.900 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000 *	1.860
High resolution limit [Å]	1.810	1.814
Rmerge	0.047 *	0.116 *
Total number of observations	41373 *
Number of reflections	4924 *
<I/σ(I)>	13	6.3
Completeness [%]	99.0 *	97 *
Redundancy	8.4	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.5	18 *	drop solution was mixed with an equal volume of reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	toxin	7 (mM)
2	1	reservoir		3 (M)
3	1	reservoir		250 (mM)