5V38
Crystal Structure of The Receptor-binding Domain of Botulinum Neurotoxin Type HA
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 | 2016-03-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.940, 80.121, 78.380 |
Unit cell angles | 90.00, 105.94, 90.00 |
Refinement procedure
Resolution | 49.230 - 1.800 |
R-factor | 0.18 |
Rwork | 0.179 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jlv |
RMSD bond length | 0.007 |
RMSD bond angle | 1.001 |
Data reduction software | iMOSFLM |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.230 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 83495 | |
<I/σ(I)> | 8.1 | 2.2 |
Completeness [%] | 97.5 | 97 |
Redundancy | 3.3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 100 mM sodium acetate, pH 4.2; 20% Polyethylene glyco (PEG) 3,350 |