8FBD
Crystal structure of OrfX1-OrfX3 complex from Clostridium botulinum E1
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.258, 174.033, 241.954 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.667 - 2.050 |
| R-factor | 0.1818 |
| Rwork | 0.180 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.073 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.15) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.670 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 104662 | 4895 |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 99.2 | |
| Redundancy | 4.7 | |
| CC(1/2) | 0.994 | 0.545 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291.15 | 13 % Polyethylene glycol (PEG) 3550, 0.3 M ammonium citrate dibasic and 0.1 M sodium acetate pH 4.5 |
