8AUY
Small molecule stabilizer for ERalpha and 14-3-3 (1080298)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976254 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.971, 112.406, 62.344 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.230 - 1.500 |
| R-factor | 0.19834 |
| Rwork | 0.197 |
| R-free | 0.22674 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jc3 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.070 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.230 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 44445 | 2208 |
| <I/σ(I)> | 9.7 | |
| Completeness [%] | 96.3 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.928 | 0.404 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES (pH 7.1), PEG400 (24 (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol |
