2IMC
Clostridium botulinum Neurotoxin Serotype A Light Chain, Residues 1-424
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) | 1.0720 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.550, 67.670, 98.370 |
| Unit cell angles | 90.00, 105.09, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.19769 |
| Rwork | 0.196 |
| R-free | 0.23045 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.170 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.119 | 0.078 | 0.423 |
| Number of reflections | 61003 | ||
| <I/σ(I)> | 9.2 | ||
| Completeness [%] | 96.4 | 99 | 76.5 |
| Redundancy | 2.9 | 3.1 | 2.4 |
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 |
