8GBH
Porous framework formed by assembly of a bipyridyl-conjugated helical peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-28 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.978720 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 8.446, 16.540, 55.093 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.840 - 1.020 |
| R-factor | 0.1071 |
| Rwork | 0.104 |
| R-free | 0.13260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.881 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.840 | 1.057 |
| High resolution limit [Å] | 1.020 | 1.020 |
| Rmerge | 0.056 | 0.084 |
| Number of reflections | 7354 | 374 |
| <I/σ(I)> | 33.71 | |
| Completeness [%] | 96.3 | |
| Redundancy | 11.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SLOW COOLING | 298 | Water/Acetonitrile |
