7K84
Crystal structure of BoNT/E LC-HN domain in complex with VHH JLE-E5
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 | PIXEL |
Collection date | 2017-11-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979180 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 96.086, 49.877, 133.508 |
Unit cell angles | 90.00, 101.04, 90.00 |
Refinement procedure
Resolution | 70.420 - 2.500 |
R-factor | 0.2271 |
Rwork | 0.226 |
R-free | 0.24110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ffz |
RMSD bond length | 0.007 |
RMSD bond angle | 0.798 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER (dev_3908) |
Refinement software | PHENIX (dev_3908) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 131.040 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rpim | 0.093 | 0.684 |
Number of reflections | 43226 | 4288 |
<I/σ(I)> | 6.3 | |
Completeness [%] | 96.3 | |
Redundancy | 2.8 | |
CC(1/2) | 0.993 | 0.661 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.15 M Ammonium sulfate, 14% PEG 4000, 0.1 M Hepes (pH 7.0) |