6G8U
Crystal structure of the light chain of botulinum neurotoxin X (residues 2-427)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000041 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.600, 86.950, 93.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.110 - 1.308 |
R-factor | 0.1503 |
Rwork | 0.149 |
R-free | 0.16900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qiz |
RMSD bond length | 0.007 |
RMSD bond angle | 0.949 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.110 | 1.355 |
High resolution limit [Å] | 1.308 | 1.308 |
Rmerge | 0.073 | 2.878 |
Rmeas | 0.076 | 2.996 |
Rpim | 0.021 | 0.824 |
Number of reflections | 115320 | 11237 |
<I/σ(I)> | 18.36 | 0.9 |
Completeness [%] | 99.8 | 98.24 |
Redundancy | 13.1 | 13 |
CC(1/2) | 1.000 | 0.493 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M HEPES 10% w/v PEG 8000 8% v/v Ethylene glycol pH 7.5 |