9JM2
Crystal structure of de novo designed light-responsive oligomer C2-35 (LRO-C2-35) at acidic pH (pH 4.5)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-16 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.940, 50.664, 63.923 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.760 - 2.000 |
| R-factor | 0.2198 |
| Rwork | 0.215 |
| R-free | 0.25890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.703 |
| 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] | 29.760 | 1.657 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.044 | 1.413 |
| Rpim | 1.092 | |
| Number of reflections | 10296 | 1221 |
| <I/σ(I)> | 15.41 | |
| Completeness [%] | 84.6 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.999 | 0.307 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 30% w/v Polyethylene glycol 1,500, 0.1 M Sodium acetate trihydrate pH 4.5 |
