7KY2
Botulism Neurooxin Light Chain A app form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2019-08-20 |
Detector | RDI CMOS_8M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.029, 56.985, 192.136 |
Unit cell angles | 90.00, 90.26, 90.00 |
Refinement procedure
Resolution | 49.010 - 2.780 |
R-factor | 0.1294 |
Rwork | 0.128 |
R-free | 0.16980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hev |
RMSD bond length | 0.013 |
RMSD bond angle | 1.702 |
Data reduction software | Aimless |
Data scaling software | XPREP |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 49.010 |
High resolution limit [Å] | 1.660 |
Number of reflections | 21424 |
<I/σ(I)> | 4.4 |
Completeness [%] | 99.3 |
Redundancy | 1 |
CC(1/2) | 0.967 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 50 mM sodium cacodylate pH 7.0, 200 mM ammonium sulfate, and 30% PEG 8000 |