8GD6
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 | 2022-05-16 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.619920 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 54.848, 9.172, 16.571 |
Unit cell angles | 90.00, 95.03, 90.00 |
Refinement procedure
Resolution | 27.320 - 0.910 |
R-factor | 0.2149 |
Rwork | 0.213 |
R-free | 0.23650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.793 |
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] | 27.320 | 0.943 |
High resolution limit [Å] | 0.910 | 0.910 |
Rmerge | 0.220 | 0.623 |
Number of reflections | 10096 | 561 |
<I/σ(I)> | 8.53 | |
Completeness [%] | 94.3 | |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 298 | Water/Acetonitrile |