9BIW
Crystal structure of Chelona Toxin, a diphtheria toxin homolog, from Austwickia chelonae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.236, 138.835, 152.109 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.272 - 2.496 |
| R-factor | 0.2378 |
| Rwork | 0.236 |
| R-free | 0.26760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.712 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.16_3549: ???) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.543 | 51.270 |
| High resolution limit [Å] | 2.496 | 2.500 |
| Rmerge | 0.233 | 1.146 |
| Number of reflections | 36410 | 2613 |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.2M calcium chloride, 0.1M Tris-HCl pH 341 8.5, 25% (w/v) PEG4000 |
