8GIV
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 | 2022-09-24 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.688839 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 9.886, 31.863, 56.051 |
| Unit cell angles | 90.00, 92.36, 90.00 |
Refinement procedure
| Resolution | 18.670 - 0.990 |
| R-factor | 0.2006 |
| Rwork | 0.199 |
| R-free | 0.21690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.714 |
| 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] | 18.670 | 1.025 |
| High resolution limit [Å] | 0.990 | 0.990 |
| Rmerge | 0.060 | 0.147 |
| Number of reflections | 18314 | 802 |
| <I/σ(I)> | 19.26 | |
| Completeness [%] | 97.3 | |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SLOW COOLING | 298 | Water/Acetonitrile |
