8AWG
small molecule stabilizer for ERalpha and 14-3-3 (1074202)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-09 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.381, 112.628, 62.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.380 - 1.800 |
| R-factor | 0.16459 |
| Rwork | 0.163 |
| R-free | 0.18504 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jc3 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.544 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.380 | 1.864 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 27198 | 2630 |
| <I/σ(I)> | 19.83 | |
| Completeness [%] | 99.1 | |
| Redundancy | 6 | |
| CC(1/2) | 0.999 | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.095 M HEPES (pH 7.1), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol |
