8GJ7
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-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-29 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.619920 |
| Spacegroup name | P 1 |
| Unit cell lengths | 8.771, 16.625, 50.498 |
| Unit cell angles | 90.01, 89.67, 90.01 |
Refinement procedure
| Resolution | 25.250 - 1.190 |
| R-factor | 0.1703 |
| Rwork | 0.151 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.742 |
| 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] | 25.250 | 1.233 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.065 | 0.150 |
| Number of reflections | 15970 | 868 |
| <I/σ(I)> | 12.15 | |
| Completeness [%] | 90.6 | |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SLOW COOLING | 298 | Water/Acetonitrile |
