6UC6
Crystal structure of BoNT/B receptor-binding domain in complex with VHH JLI-H11
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 | 2016-07-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 |
Unit cell lengths | 71.210, 73.276, 76.367 |
Unit cell angles | 87.83, 65.75, 66.55 |
Refinement procedure
Resolution | 37.480 - 2.320 |
R-factor | 0.172791002619 |
Rwork | 0.170 |
R-free | 0.22226 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nm1 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.018 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.580 | 2.390 |
High resolution limit [Å] | 2.320 | 2.320 |
Rmerge | 0.484 | |
Rpim | 0.484 | |
Number of reflections | 54491 | 4465 |
<I/σ(I)> | 13.9 | |
Completeness [%] | 98.6 | |
Redundancy | 3.9 | |
CC(1/2) | 0.997 | 0.810 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1 M KCl, 15 % PEG 5000 MME, 0.1 M MES |