1XTF
neurotoxin BoNT/A E224Q Y366F mutant
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 | 2004-01-11 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 57.900, 40.490, 195.890 |
| Unit cell angles | 90.00, 90.25, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.200 |
| R-factor | 0.22 |
| Rwork | 0.220 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 44297 | |
| Completeness [%] | 94.2 | 94.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 18% PEG 3350, 200 mM di-sodium hydrogen phosphate dihydrate, pH 7.4, VAPOR DIFFUSION, HANGING DROP |
