2V9B

X-ray structure of viscotoxin B2 from Viscum album

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2003-05-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	39.819, 40.392, 44.694
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.050
R-free	0.17030
Structure solution method	DIRECT METHODS
Starting model (for MR)	NONE
RMSD bond length	0.019
RMSD bond angle	0.034
Data reduction software	DENZO
Data scaling software	SADABS
Phasing software	SHELXD
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.150
High resolution limit [Å]	1.150	1.050
Rmerge	0.060	0.220
Number of reflections	34317
<I/σ(I)>	25.8	12.6
Completeness [%]	99.8	99.6
Redundancy	21.34	21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		1UL HANGING DROP, 30 MG/ML PROTEIN, 0.2M AMSO4, 0.08M CACODYLATE PH 6.5, 25% PEG20000