1IAZ

EQUINATOXIN II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	81.620, 129.040, 31.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 1.900
R-factor	0.19
Rwork	0.185
R-free	0.23500
Structure solution method	MIR
RMSD bond length	0.086 *
RMSD bond angle	1.550 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	MAIN

Data quality characteristics

	Overall
Low resolution limit [Å]	14.300
High resolution limit [Å]	1.900
Rmerge	0.066
Total number of observations	240282 *
Number of reflections	27057
<I/σ(I)>	6.9
Completeness [%]	96.7
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	20 *	isopropanol, ammonium sulphate, sodium acetate , pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	isopropanol	5 (%)
3	1	reservoir	ammonium sulfate	1.3 (M)
4	1	reservoir	sodium acetate	100 (mM)