2IMB
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by L-arginine hydroxamate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12B |
Synchrotron site | NSLS |
Beamline | X12B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-20 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.1000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.238, 67.928, 98.305 |
Unit cell angles | 90.00, 105.10, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.410 |
R-factor | 0.19464 |
Rwork | 0.191 |
R-free | 0.26015 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.018 |
RMSD bond angle | 1.599 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.143 | 0.577 |
Number of reflections | 35481 | |
<I/σ(I)> | 8.4 | 2.1 |
Completeness [%] | 95.3 | 71.4 |
Redundancy | 3.3 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 10-15% PEG 2000 MMe, 0.3M (NH4)2HPO4, 0.05M TRIS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |