8GKB
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 | 2022-04-23 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.619920 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 8.474, 16.633, 56.693 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.350 - 0.950 |
R-factor | 0.2349 |
Rwork | 0.232 |
R-free | 0.26220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.937 |
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] | 28.350 | 0.984 |
High resolution limit [Å] | 0.950 | 0.950 |
Rmerge | 0.170 | 0.271 |
Number of reflections | 9736 | 526 |
<I/σ(I)> | 11.43 | |
Completeness [%] | 99.9 | |
Redundancy | 11.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 298 | Water/Acetonitrile |