7TM1
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 | 2021-06-28 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.976 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 78.749, 11.566, 27.904 |
Unit cell angles | 90.00, 107.42, 90.00 |
Refinement procedure
Resolution | 26.620 - 1.100 |
R-factor | 0.1467 |
Rwork | 0.145 |
R-free | 0.16280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | energy minimized helix |
RMSD bond length | 0.012 |
RMSD bond angle | 2.241 |
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] | 26.620 | 1.139 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.228 | 0.780 |
Number of reflections | 17817 | 849 |
<I/σ(I)> | 9.55 | |
Completeness [%] | 95.6 | |
Redundancy | 3.9 | |
CC(1/2) | 0.970 | 0.792 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 298 | water and acetonitrile |