9J7T
De Novo Designed Cell-Penetrating Peptide Self-Assembly Featuring Distinctive Tertiary Structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-29 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.200, 99.730, 67.510 |
| Unit cell angles | 90.00, 103.73, 90.00 |
Refinement procedure
| Resolution | 28.200 - 1.920 |
| R-factor | 0.2533 |
| Rwork | 0.252 |
| R-free | 0.27220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 9iz6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.460 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.200 | 4.390 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Number of reflections | 34542 | 34542 |
| <I/σ(I)> | 12.79 | |
| Completeness [%] | 99.9 | |
| Redundancy | 7 | |
| CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG 3350, 100 mM Ammonium Phosphate |
