7L6V
Crystal structure of BoNT/A-LC-JPU-A5-JPU-C1-JPU-H7-JPU-D12-ciA-F12
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 | 2017-12-15 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9792 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 115.899, 157.645, 173.001 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 116.520 - 2.010 |
R-factor | 0.1986 |
Rwork | 0.197 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3v0a |
RMSD bond length | 0.006 |
RMSD bond angle | 0.799 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 116.520 | 2.040 |
High resolution limit [Å] | 2.010 | 2.010 |
Rpim | 0.089 | |
Number of reflections | 103244 | 5017 |
<I/σ(I)> | 7.5 | |
Completeness [%] | 98.6 | |
Redundancy | 2.8 | |
CC(1/2) | 0.995 | 0.352 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20 % isopropanol, 0.1 M Na citrate pH 5.6, 20 % PEG 4000 |