8GB9
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 | 2022-04-23 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.619920 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 8.472, 16.670, 57.004 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 16.670 - 1.000 |
| R-factor | 0.1067 |
| Rwork | 0.105 |
| R-free | 0.11990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.828 |
| 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] | 16.670 | 0.856 |
| High resolution limit [Å] | 0.826 | 0.826 |
| Rmerge | 0.067 | 0.182 |
| Number of reflections | 8446 | 579 |
| <I/σ(I)> | 28.18 | |
| Completeness [%] | 95.9 | |
| Redundancy | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SLOW COOLING | 298 | Water/Acetonitrile |
