3OBR
Crystal structure of Botulinum neurotoxin serotype D binding domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-05-16 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.997 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.677, 89.871, 94.117 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.720 |
| R-factor | 0.1285 |
| Rwork | 0.126 |
| R-free | 0.18070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.771 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.960 | 1.780 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.211 | |
| Number of reflections | 55098 | |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 99.2 | 91.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 291 | 7% PEG 10000, 0.1 M HEPES Buffer, pH 8.0, VAPOR DIFFUSION, temperature 291K |
