7C8L
Hybrid designing of potent inhibitors of Striga strigolactone receptor ShHTL7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-21 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.97857 |
Spacegroup name | P 65 |
Unit cell lengths | 92.474, 92.474, 80.256 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.237 - 1.450 |
R-factor | 0.1365 |
Rwork | 0.136 |
R-free | 0.16800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5z89 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.240 | 1.490 |
High resolution limit [Å] | 1.449 | 1.449 |
Rmerge | 0.060 | 1.370 |
Number of reflections | 68930 | 5863 |
<I/σ(I)> | 26.93 | 1.09 |
Completeness [%] | 96.4 | |
Redundancy | 18.7 | |
CC(1/2) | 1.000 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 298 | 20% (w/v) PEG 8000, 100 mM MES/ Sodium hydroxide pH 6.0, 200 mM Calcium acetate |