7NA9
Crystal structure of BoNT/B-LC-JSG-C1
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 | PIXEL |
Collection date | 2019-03-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.417, 97.018, 101.904 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.600 - 1.760 |
R-factor | 0.1689 |
Rwork | 0.167 |
R-free | 0.20530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f82 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.319 |
Data reduction software | XDS (1.18.2_3874) |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 101.900 | 1.790 |
High resolution limit [Å] | 1.760 | 1.760 |
Rpim | 0.033 | 0.328 |
Number of reflections | 61223 | 3060 |
<I/σ(I)> | 20.1 | |
Completeness [%] | 99.5 | |
Redundancy | 6.7 | |
CC(1/2) | 0.999 | 0.852 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG4000 |