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 |