3C8P

X-ray structure of Viscotoxin A1 from Viscum album L.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2004-10-10
Detector	BRUKER SMART 6000
Spacegroup name	P 43 21 2
Unit cell lengths	65.730, 65.730, 47.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.160 - 1.250
R-factor	0.151
R-free	0.19100
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	0.028
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	SHELXD
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.160	1.350
High resolution limit [Å]	1.250	1.250
Rmerge	0.089	0.304
Number of reflections	29217
<I/σ(I)>	25.5	2.61
Completeness [%]	100.0	100
Redundancy	1.8	1.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	298	1.4M Sodium citrate, 0.1 M HEPES pH 7.5, vapor diffusion, temperature 298K, pH 7.50
1		7.5	298	1.4M Sodium citrate, 0.1 M HEPES pH 7.5, vapor diffusion, temperature 298K, pH 7.50