6IAR
Tricyclic indazoles a novel class of selective estrogen receptor degrader antagonists
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2013-02-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 58.353, 58.353, 275.443 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.530 - 1.840 |
| R-factor | 0.19223 |
| Rwork | 0.190 |
| R-free | 0.23945 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.755 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 137.720 | 2.060 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Number of reflections | 25479 | 1742 |
| <I/σ(I)> | 27.6 | 6.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 17.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | #61 WELL D5: 12% PEG 3350, 0.16M MGCL2, 0.08M PCTP PH6.5, 0.2M LICL |
