5WIX
Crystal structure of P47 of Clostridium botulinum E1
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 | 2014-03-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 74.080, 74.080, 308.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.319 - 2.800 |
| R-factor | 0.231 |
| Rwork | 0.229 |
| R-free | 0.27480 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.246 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.320 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rpim | 0.072 | 0.703 |
| Number of reflections | 22009 | |
| <I/σ(I)> | 12.48 | 1.6 |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 12 % PEG 6000, 0.1 M Hepes pH 7.5 |
