3PME
Crystal structure of the receptor binding domain of botulinum neurotoxin C/D mosaic serotype
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.413, 109.418, 49.920 |
| Unit cell angles | 90.00, 98.95, 90.00 |
Refinement procedure
| Resolution | 49.310 - 1.560 |
| R-factor | 0.1784 |
| Rwork | 0.177 |
| R-free | 0.20730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.034 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 49.310 |
| High resolution limit [Å] | 1.560 |
| Rmerge | 0.080 |
| Number of reflections | 57997 |
| <I/σ(I)> | 31.13 |
| Completeness [%] | 100.0 |
| Redundancy | 13.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% (w/v) PEG 8000, 10% (w/v) isopropanol,0.2 M (NH4)2SO4, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
