8SW2
Porous framework formed by assembly of a bipyridyl-conjugated helical peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-15 |
| Detector | RIGAKU HyPix-3000 |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 8.527, 16.603, 60.908 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 12.850 - 1.200 |
| R-factor | 0.1855 |
| Rwork | 0.184 |
| R-free | 0.19450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.913 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 12.850 | 1.243 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.138 | 0.227 |
| Number of reflections | 3040 | 290 |
| <I/σ(I)> | 58.17 | |
| Completeness [%] | 99.8 | |
| Redundancy | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SLOW COOLING | 298 | Water/Acetonitrile |
