9K7X
Crystal structure of designed calcium-induced homotrimer C3-Ca1-DN*3-20
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-20 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.614, 77.562, 82.814 |
| Unit cell angles | 90.00, 92.46, 90.00 |
Refinement procedure
| Resolution | 27.110 - 2.000 |
| R-factor | 0.1759 |
| Rwork | 0.172 |
| R-free | 0.22740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | RoseTTAFold |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.773 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.110 | 2.071 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.081 | 0.437 |
| Number of reflections | 29342 | 2818 |
| <I/σ(I)> | 15.89 | |
| Completeness [%] | 97.5 | |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.1M Tris pH 8.0 37% PEG400 |
