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 |