8FBF
Crystal structure of OrfX2 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 | 2013-10-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 106.316, 83.192, 108.421 |
| Unit cell angles | 90.00, 105.77, 90.00 |
Refinement procedure
| Resolution | 19.887 - 1.850 |
| R-factor | 0.1936 |
| Rwork | 0.191 |
| R-free | 0.23950 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.008 |
| 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] | 19.890 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 154831 | 15605 |
| <I/σ(I)> | 22.2 | |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 6.7 | 6.2 |
| CC(1/2) | 0.966 | 0.892 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291.15 | 14% PEG3350, 0.2M Lithium Sulfate, and 0.1M Bis-Tris pH 6 |
