8EYW
Beetroot dimer bound to ThT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 29.687, 50.566, 94.740 |
Unit cell angles | 90.00, 93.18, 90.00 |
Refinement procedure
Resolution | 47.300 - 2.100 |
R-factor | 0.1832 |
Rwork | 0.180 |
R-free | 0.22020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8eyu |
RMSD bond length | 0.006 |
RMSD bond angle | 1.149 |
Data reduction software | xia2 |
Data scaling software | DIALS |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.300 | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.215 | |
Rpim | 0.097 | |
Number of reflections | 16519 | 1599 |
<I/σ(I)> | 6.1 | |
Completeness [%] | 99.9 | |
Redundancy | 5.6 | |
CC(1/2) | 0.893 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 2.0 M Ammonium sulfate, 5% 2-propanol |