8GBH
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-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-11-28 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.978720 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 8.446, 16.540, 55.093 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.840 - 1.020 |
R-factor | 0.1071 |
Rwork | 0.104 |
R-free | 0.13260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.881 |
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] | 15.840 | 1.057 |
High resolution limit [Å] | 1.020 | 1.020 |
Rmerge | 0.056 | 0.084 |
Number of reflections | 7354 | 374 |
<I/σ(I)> | 33.71 | |
Completeness [%] | 96.3 | |
Redundancy | 11.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 298 | Water/Acetonitrile |