5MOY
Crystal structure of the BoNT/A2 receptor-binding domain in complex with the luminal domain of its neuronal receptor SV2C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-08-14 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.99987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.740, 91.570, 147.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.785 - 2.302 |
R-factor | 0.1975 |
Rwork | 0.195 |
R-free | 0.25120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vu9 4jra |
RMSD bond length | 0.010 |
RMSD bond angle | 1.017 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.7.8) |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.785 | 45.785 | 2.360 |
High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
Rmerge | 0.108 | 0.024 | 1.636 |
Rmeas | 0.118 | ||
Total number of observations | 192878 | ||
Number of reflections | 29498 | ||
<I/σ(I)> | 12.56 | 45.19 | 1.07 |
Completeness [%] | 99.9 | 99.2 | 100 |
Redundancy | 6.539 | 5.644 | 6.815 |
CC(1/2) | 0.998 | 1.000 | 0.548 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 285 | 20% PEG 8000, 65 mM Hepes |