5FQS
Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 3.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND |
Synchrotron site | Diamond |
Temperature [K] | 100 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 58.379, 58.379, 275.733 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.560 - 1.940 |
R-factor | 0.18605 |
Rwork | 0.184 |
R-free | 0.22317 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.020 |
RMSD bond angle | 1.841 |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.950 |
Rmerge | 0.060 |
Number of reflections | 20764 |
Completeness [%] | 99.9 |
Redundancy | 9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M PCTP, PH 6.5 (0.04 M SODIUM PROPIONATE, 0.02 M SODIUM CACODYLATE, 0.04 M BIS-TRIS PROPANE), 22% PEG3350, 0.2M MGCL2 |