6UL6
Crystal Structure of BoNT/A-LCHn domain in complex with VNA ciA-D12/11/ciA-B5 and VHH ciA-H7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 141.288, 90.253, 144.771 |
Unit cell angles | 90.00, 119.04, 90.00 |
Refinement procedure
Resolution | 47.207 - 2.020 |
R-factor | 0.183342226535 |
Rwork | 0.183 |
R-free | 0.19448 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3v0a |
RMSD bond length | 0.016 |
RMSD bond angle | 1.446 |
Data reduction software | XDS |
Data scaling software | Aimless (1.9_1692) |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.210 | 2.050 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.094 | 0.716 |
Rpim | 0.090 | 0.678 |
Number of reflections | 103999 | 5169 |
<I/σ(I)> | 9.8 | |
Completeness [%] | 99.8 | |
Redundancy | 3.7 | |
CC(1/2) | 0.995 | 0.648 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 291 | 13 % PEG 20000, 0.1 M sodium cacodylate |