8GBM
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 | 2022-07-06 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.729405 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 10.003, 31.631, 54.836 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.200 - 1.040 |
R-factor | 0.1722 |
Rwork | 0.170 |
R-free | 0.19460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.323 |
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] | 15.200 | 1.077 |
High resolution limit [Å] | 1.040 | 1.040 |
Rmerge | 0.139 | 1.884 |
Number of reflections | 8046 | 413 |
<I/σ(I)> | 8.79 | |
Completeness [%] | 99.7 | |
Redundancy | 11.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 298 | Water/Acetonitrile |