8VW8
UIC-13-BPE-AgNO3 silver binding with UIC-13-BPE
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 | 2023-03-11 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.619900 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 59.634, 59.634, 9.003 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.860 - 1.200 |
R-factor | 0.1932 |
Rwork | 0.190 |
R-free | 0.22460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.029 |
RMSD bond angle | 1.789 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.860 | 1.243 |
High resolution limit [Å] | 1.200 | 1.200 |
Number of reflections | 5566 | 542 |
<I/σ(I)> | 11.74 | |
Completeness [%] | 99.5 | |
Redundancy | 24.3 | |
CC(1/2) | 0.999 | 0.533 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 298 | acetonitrile, water |