7TMA
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 | 2021-07-01 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.688 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 13.720, 13.564, 27.710 |
Unit cell angles | 90.00, 99.04, 90.00 |
Refinement procedure
Resolution | 13.550 - 1.000 |
R-factor | 0.1593 |
Rwork | 0.158 |
R-free | 0.17510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7tls |
RMSD bond length | 0.010 |
RMSD bond angle | 1.752 |
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] | 13.550 | 1.039 |
High resolution limit [Å] | 1.000 | 1.003 |
Number of reflections | 20050 | 469 |
<I/σ(I)> | 7.63 | 7.63 |
Completeness [%] | 96.0 | |
Redundancy | 5 | |
CC(1/2) | 0.996 | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 298 | water and acetonitrile |