7TLS
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 | 2021-03-05 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.619 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 13.797, 13.456, 27.690 |
| Unit cell angles | 90.00, 99.58, 90.00 |
Refinement procedure
| Resolution | 11.440 - 0.730 |
| R-factor | 0.1255 |
| Rwork | 0.125 |
| R-free | 0.12930 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.148 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXT |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 11.440 | 0.756 |
| High resolution limit [Å] | 0.730 | 0.730 |
| Rmerge | 0.115 | 0.123 |
| Number of reflections | 13439 | 1286 |
| <I/σ(I)> | 32.17 | |
| Completeness [%] | 94.5 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.969 | 0.969 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SLOW COOLING | 298 | water, acetonitrile |
