8GD6
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 | 2022-05-16 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.619920 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 54.848, 9.172, 16.571 |
| Unit cell angles | 90.00, 95.03, 90.00 |
Refinement procedure
| Resolution | 27.320 - 0.910 |
| R-factor | 0.2149 |
| Rwork | 0.213 |
| R-free | 0.23650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.793 |
| 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] | 27.320 | 0.943 |
| High resolution limit [Å] | 0.910 | 0.910 |
| Rmerge | 0.220 | 0.623 |
| Number of reflections | 10096 | 561 |
| <I/σ(I)> | 8.53 | |
| Completeness [%] | 94.3 | |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SLOW COOLING | 298 | Water/Acetonitrile |
