9K7W
Crystal structure of designed nickel-induced homotrimer C3-Ni1-HH*3-18
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-05 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.464, 77.921, 68.417 |
| Unit cell angles | 90.00, 95.26, 90.00 |
Refinement procedure
| Resolution | 29.970 - 2.100 |
| R-factor | 0.2201 |
| Rwork | 0.216 |
| R-free | 0.29340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | RoseTTAFold |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.047 |
| 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] | 29.970 | 2.175 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.063 | 0.181 |
| Number of reflections | 32684 | 3061 |
| <I/σ(I)> | 15.03 | |
| Completeness [%] | 96.4 | |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 20% (w/v) PEG 3350, 200 mM Ammonium nitrate |
