8JU8
de novo designed protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-08-10 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 58.964, 58.964, 97.589 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.240 - 1.850 |
| R-factor | 0.1732 |
| Rwork | 0.172 |
| R-free | 0.20710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.792 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_4788) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.720 | |
| Rmeas | 0.780 | |
| Rpim | 0.296 | |
| Number of reflections | 17319 | 2856 |
| <I/σ(I)> | 18.92 | |
| Completeness [%] | 99.9 | |
| Redundancy | 9.3 | |
| CC(1/2) | 0.999 | 0.799 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 8% PEG 8000 0.1 M Tris HCl pH 8.5 |
