7TMH
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) | 0.688 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 13.608, 13.513, 27.424 |
| Unit cell angles | 90.00, 97.09, 90.00 |
Refinement procedure
| Resolution | 13.500 - 0.800 |
| R-factor | 0.1165 |
| Rwork | 0.115 |
| R-free | 0.12720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7tls |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.900 |
| 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] | 13.500 | 0.860 |
| High resolution limit [Å] | 0.800 | 0.830 |
| Rmeas | 0.058 | 0.146 |
| Number of reflections | 19340 | 1826 |
| <I/σ(I)> | 26.34 | |
| Completeness [%] | 95.4 | |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SLOW COOLING | 295 | water and acetonitrile |
