7TM2
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 | 2021-07-01 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.619 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 13.721, 13.683, 27.803 |
| Unit cell angles | 90.00, 96.88, 90.00 |
Refinement procedure
| Resolution | 12.840 - 0.880 |
| R-factor | 0.0995 |
| Rwork | 0.099 |
| R-free | 0.10540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7tls |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.134 |
| 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] | 12.840 | 0.911 |
| High resolution limit [Å] | 0.880 | 0.880 |
| Rmerge | 0.069 | 0.069 |
| Number of reflections | 14928 | 456 |
| <I/σ(I)> | 16.04 | |
| Completeness [%] | 95.7 | |
| Redundancy | 12.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SLOW COOLING | 298 | water and acetonitrile |
