7RRX
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-19
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 | 53.776, 58.750, 94.438 |
| Unit cell angles | 86.91, 74.81, 62.77 |
Refinement procedure
| Resolution | 52.140 - 1.780 |
| R-factor | 0.2377 |
| Rwork | 0.236 |
| R-free | 0.26470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qxs |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.479 |
| 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] | 87.876 | 1.808 |
| High resolution limit [Å] | 1.778 | 1.778 |
| Number of reflections | 94731 | 4297 |
| <I/σ(I)> | 16 | 2.2 |
| Completeness [%] | 96.2 | |
| Redundancy | 7.8 | |
| CC(1/2) | 0.997 | 0.733 |
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 |
