1T3A
Crystal structure of Clostridium botulinum neurotoxin type E catalytic domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-05-12 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 1.2837 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 88.330, 144.456, 83.271 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.690 - 2.160 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.25800 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | MARMAD |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.250 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.058 | 0.276 |
| Number of reflections | 56133 | |
| <I/σ(I)> | 18.5 | |
| Completeness [%] | 85.1 | |
| Redundancy | 12.2 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | Ammonium sulfate, sodium citrate, lithium sulfate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
