9X1W
Crystal structure of de novo designed complement C9 mini-inhibitor form 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-08-17 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.405, 45.054, 56.774 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.130 - 1.460 |
| R-factor | 0.1967 |
| Rwork | 0.193 |
| R-free | 0.23110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.065 |
| 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] | 27.130 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.058 | |
| Rmeas | 0.071 | |
| Rpim | 0.040 | |
| Number of reflections | 11829 | 995 |
| <I/σ(I)> | 14.6 | |
| Completeness [%] | 59.0 | |
| Redundancy | 2.4 | |
| CC(1/2) | 0.803 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.1 M Citric acid pH 3.5, 34% v/v Polyethylene glycol 200 |
