7TME
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 | 13.561, 13.527, 27.851 |
Unit cell angles | 90.00, 98.82, 90.00 |
Refinement procedure
Resolution | 12.140 - 0.800 |
R-factor | 0.1078 |
Rwork | 0.106 |
R-free | 0.12500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7tls |
RMSD bond length | 0.010 |
RMSD bond angle | 1.810 |
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] | 12.140 | 0.829 |
High resolution limit [Å] | 0.800 | 0.800 |
Rmeas | 0.036 | |
Number of reflections | 20050 | 1002 |
<I/σ(I)> | 33.55 | 9.96 |
Completeness [%] | 98.1 | |
Redundancy | 6.3 | |
CC(1/2) | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 295 | acetonitrile and water |