5FQP
Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 1.
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 | 58.149, 58.149, 275.733 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.360 - 1.880 |
R-factor | 0.21028 |
Rwork | 0.209 |
R-free | 0.23084 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.006 |
RMSD bond angle | 0.965 |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.900 |
Rmerge | 0.050 |
Number of reflections | 22410 |
Completeness [%] | 99.7 |
Redundancy | 8 |
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 |