8W03
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-1154
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-02-12 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.489, 58.771, 93.208 |
| Unit cell angles | 86.61, 75.17, 62.96 |
Refinement procedure
| Resolution | 38.360 - 1.680 |
| R-factor | 0.2033 |
| Rwork | 0.201 |
| R-free | 0.24470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.242 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.360 | 1.740 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.100 | |
| Number of reflections | 66313 | 260 |
| <I/σ(I)> | 11.4 | |
| Completeness [%] | 59.8 | |
| Redundancy | 7.3 | |
| CC(1/2) | 0.812 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 298 | 20-25% PEG 3350, 200 mM MgCl2, 0.1 M Bis-Tris/Hepes/Tris-HCl |
