8GD8
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 | 8.791, 16.592, 51.150 |
| Unit cell angles | 89.99, 89.97, 90.01 |
Refinement procedure
| Resolution | 16.590 - 1.040 |
| R-factor | 0.2084 |
| Rwork | 0.206 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.659 |
| 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] | 16.590 | 1.077 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.049 | 0.065 |
| Number of reflections | 22123 | 1210 |
| <I/σ(I)> | 12.47 | |
| Completeness [%] | 88.8 | |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SLOW COOLING | 298 | Water/Acetonitrile |
