3ERA

RECOMBINANT ERABUTOXIN A (S8T 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	1995-07
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	55.418, 53.013, 40.467
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.700
R-factor	0.179
Rwork	0.179
R-free	0.22000 *
Structure solution method	MOLECULAR
Starting model (for MR)	STRUCTURE OF RECOMBINANT ERABUTOXIN A (S8G MUTANT)
RMSD bond length	0.006
RMSD bond angle	25.950 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000 *	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.069 *	0.205 *
Total number of observations	46741 *
Number of reflections	13852 *
<I/σ(I)>	9.7	2.5
Completeness [%]	97.8 *	97.3 *
Redundancy	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5		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		210 (mM)
3	1	reservoir		50 (mM)