7RS3
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-29
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 | 52.557, 58.977, 91.665 |
| Unit cell angles | 89.03, 74.59, 63.60 |
Refinement procedure
| Resolution | 87.760 - 1.840 |
| R-factor | 0.238 |
| Rwork | 0.236 |
| R-free | 0.28320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 2QXS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.407 |
| Data reduction software | AutoProcess |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.790 | 2.110 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Number of reflections | 41878 | 2095 |
| <I/σ(I)> | 11 | |
| Completeness [%] | 85.8 | |
| Redundancy | 7.8 | |
| CC(1/2) | 0.996 | 0.593 |
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 |
