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 |