2FPQ
Crystal Structure of Botulinum Neurotoxin Type D Light Chain
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 | 2005-10-10 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.829, 89.818, 54.400 |
| Unit cell angles | 90.00, 94.29, 90.00 |
Refinement procedure
| Resolution | 44.900 - 1.650 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.715 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 53579 | |
| <I/σ(I)> | 21.6 | |
| Completeness [%] | 95.2 | 90.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 15% PEG 4000, 200MM POTASSIUM THIOCYANATE, 100MM SODIUM ACETATE, PH 5.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K, pH 5.50 |
