5FQT
Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 4.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND |
| Synchrotron site | Diamond |
| Temperature [K] | 100 |
| Wavelength(s) | 0.92000 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 58.323, 58.323, 276.354 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.510 - 1.990 |
| R-factor | 0.19508 |
| Rwork | 0.193 |
| R-free | 0.23219 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.765 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.070 |
| Number of reflections | 19355 |
| 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 |
