2ISH
Botulinum Neurotoxin A Light Chain WT Crystal Form C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.20 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.022, 197.377, 58.314 |
Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
Resolution | 37.670 - 2.000 |
R-factor | 0.233 |
Rwork | 0.233 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xtf |
RMSD bond length | 0.006 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 37.670 |
High resolution limit [Å] | 2.000 |
Number of reflections | 57727 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 18% PEG MME 5000, 100 mM Bis-Tris pH 6.5, 0.5 mM ZnCl2, 0.3 M NDSB-195, VAPOR DIFFUSION, HANGING DROP, temperature 293K |