7KYH
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) | 0.97625 |
Spacegroup name | P 1 |
Unit cell lengths | 57.315, 84.050, 99.723 |
Unit cell angles | 103.78, 91.84, 108.67 |
Refinement procedure
Resolution | 48.090 - 2.910 |
R-factor | 0.1399 |
Rwork | 0.138 |
R-free | 0.17300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hev |
RMSD bond length | 0.011 |
RMSD bond angle | 1.841 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.140 | 9.090 |
High resolution limit [Å] | 2.910 | 2.910 |
Number of reflections | 35479 | 112823 |
<I/σ(I)> | 2.6 | |
Completeness [%] | 95.1 | |
Redundancy | 1.9 | |
CC(1/2) | 0.991 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 50mM sodium cacodylate pH 7.0, 200 mM ammonium sulfate, 30% PEG 8000 |