2G7P
Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.210, 110.260, 167.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.190 - 2.300 |
R-factor | 0.234 |
Rwork | 0.234 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2g7k MONOMER LIGHT CHAIN A |
RMSD bond length | 0.071 |
RMSD bond angle | 1.900 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MERLOT |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.190 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 57298 | |
Completeness [%] | 99.7 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 294 | 0.1M Sodium Citrate, 24% PEG4K, 0.2M Ammonium Acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K |