2NP0
Crystal structure of the Botulinum neurotoxin type B complexed with synaptotagamin-II ectodomain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL1-5 |
| Synchrotron site | SSRL |
| Beamline | BL1-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 170.415, 351.971, 101.968 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.620 |
| R-factor | 0.18807 |
| Rwork | 0.186 |
| R-free | 0.22733 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s0e |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.499 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.710 |
| High resolution limit [Å] | 2.620 | 2.620 |
| Rmerge | 0.085 | 0.476 |
| Number of reflections | 92718 | |
| Completeness [%] | 90.0 | 71 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 297 | 0.4 M (NH4)2SO4, 0.9 M Li2SO4, and 0.1 M sodium citrate at pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
