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 |