6G5K
Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with human synaptotagmin 1
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.300, 212.790, 52.910 |
| Unit cell angles | 90.00, 91.08, 90.00 |
Refinement procedure
| Resolution | 53.250 - 2.000 |
| R-factor | 0.19568 |
| Rwork | 0.194 |
| R-free | 0.23545 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kbb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.089 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.930 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.103 | 1.310 |
| Rmeas | 0.122 | 1.546 |
| Rpim | 0.065 | 0.815 |
| Number of reflections | 71658 | 5300 |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 6.9 | 7 |
| CC(1/2) | 0.998 | 0.681 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.1 M Amino acids 0.1 M Buffer System 2 7.5 50 % v/v Precipitant Mix 1 |
