5L21
Crystal structure of BoNT/A receptor binding domain in complex with VHH C2
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 | CCD |
Collection date | 2012-03-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.100, 103.720, 64.700 |
Unit cell angles | 90.00, 93.77, 90.00 |
Refinement procedure
Resolution | 35.990 - 1.680 |
R-factor | 0.1931 |
Rwork | 0.193 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fuo |
RMSD bond length | 0.005 |
RMSD bond angle | 0.961 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.990 | 1.710 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.041 | 0.414 |
Number of reflections | 74608 | |
<I/σ(I)> | 12.8 | 2.3 |
Completeness [%] | 99.5 | 99.7 |
Redundancy | 2.9 | 2.9 |
CC(1/2) | 0.998 | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 18% polyethylene glycol 6,000; 100 mM Sodium Acetate, pH 5.0 |