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 |
