6MHJ
Structure of BoNT mutant
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 | PIXEL |
| Collection date | 2014-04-30 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.12709 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 158.269, 158.269, 123.971 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.870 - 3.019 |
| R-factor | 0.185 |
| Rwork | 0.182 |
| R-free | 0.23740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v0a |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.116 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.870 | 3.200 |
| High resolution limit [Å] | 3.020 | 3.020 |
| Rmerge | 0.093 | 0.616 |
| Number of reflections | 18540 | 2932 |
| <I/σ(I)> | 15 | |
| Completeness [%] | 99.9 | |
| Redundancy | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 2.4 M ammonium phosphate, 0.1 M Tris pH 8.5, 0.05 % n-dodecyl beta-D-maltoside |
