8SW2
Porous framework formed by assembly of a bipyridyl-conjugated helical peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-15 |
Detector | RIGAKU HyPix-3000 |
Wavelength(s) | 1.54184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 8.527, 16.603, 60.908 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.850 - 1.200 |
R-factor | 0.1855 |
Rwork | 0.184 |
R-free | 0.19450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.913 |
Data reduction software | CrysalisPro |
Data scaling software | CrysalisPro |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 12.850 | 1.243 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.138 | 0.227 |
Number of reflections | 3040 | 290 |
<I/σ(I)> | 58.17 | |
Completeness [%] | 99.8 | |
Redundancy | 11.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 298 | Water/Acetonitrile |