5VID
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.0671.2
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 | 2016-08-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979180 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 140.887, 87.314, 148.455 |
Unit cell angles | 90.00, 114.53, 90.00 |
Refinement procedure
Resolution | 67.529 - 2.750 |
R-factor | 0.2194 |
Rwork | 0.219 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nm1 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.267 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.310 | 2.800 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.143 | 0.803 |
Number of reflections | 85598 | 4495 |
<I/σ(I)> | 8.1 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.8 | 3.8 |
CC(1/2) | 0.701 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 100 mM Tris, pH 8.0, 25 % PEG 400 |