5VMR
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.2110.4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979180 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.698, 246.477, 64.364 |
Unit cell angles | 90.00, 102.90, 90.00 |
Refinement procedure
Resolution | 19.969 - 1.950 |
R-factor | 0.1827 |
Rwork | 0.181 |
R-free | 0.20590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vid |
RMSD bond length | 0.008 |
RMSD bond angle | 1.111 |
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] | 19.970 | 1.990 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.058 | 0.372 |
Number of reflections | 84657 | 4433 |
<I/σ(I)> | 7.7 | 2.2 |
Completeness [%] | 99.6 | 99.5 |
Redundancy | 3.5 | 3.5 |
CC(1/2) | 0.836 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M Magnesium acetate, 0.1 M Sodium acetate pH 5.0, 10 % PEG8000 |