8AV4
Small molecular stabilizer for ERalpha and 14-3-3 (1075305)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-26 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.849, 111.826, 62.288 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.640 - 1.600 |
| R-factor | 0.17171 |
| Rwork | 0.170 |
| R-free | 0.19890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jc3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.370 |
| 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] | 41.640 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 37538 | 1818 |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 98.9 | |
| Redundancy | 3.2 | |
| CC(1/2) | 0.960 | 0.944 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES (pH 7.5), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol |
