7RS8
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-16
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 | 2017-03-22 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.534, 58.616, 93.904 |
| Unit cell angles | 86.94, 75.26, 62.85 |
Refinement procedure
| Resolution | 90.570 - 1.640 |
| R-factor | 0.2125 |
| Rwork | 0.210 |
| R-free | 0.24960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qxs |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.522 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.573 | 1.784 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Number of reflections | 83326 | 4167 |
| <I/σ(I)> | 11.8 | 1.3 |
| Completeness [%] | 84.5 | |
| Redundancy | 7.6 | |
| CC(1/2) | 0.996 | 0.502 |
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 |
