4ISR
Binding domain of Botulinum neurotoxin DC in complex with rat synaptotagmin II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-26 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.95 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 165.244, 57.781, 169.555 |
| Unit cell angles | 90.00, 118.49, 90.00 |
Refinement procedure
| Resolution | 47.730 - 2.590 |
| R-factor | 0.2204 |
| Rwork | 0.220 |
| R-free | 0.23470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.898 |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.733 | 2.740 | |
| High resolution limit [Å] | 2.590 | 7.680 | 2.590 |
| Rmerge | 0.113 | 0.028 | 0.631 |
| Number of reflections | 88514 | 3563 | 14062 |
| <I/σ(I)> | 12.2 | 34.94 | 2.32 |
| Completeness [%] | 99.5 | 97.8 | 98.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 2.0 M NaSO4, 0.1 M Na-cacodylate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
