7RS7
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 53.665, 58.621, 93.932 |
Unit cell angles | 87.27, 74.87, 62.91 |
Refinement procedure
Resolution | 90.370 - 1.580 |
R-factor | 0.2246 |
Rwork | 0.223 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qxs |
RMSD bond length | 0.008 |
RMSD bond angle | 1.522 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.370 | 1.639 |
High resolution limit [Å] | 1.580 | 1.580 |
Number of reflections | 89258 | 3316 |
<I/σ(I)> | 4 | |
Completeness [%] | 86.7 | |
Redundancy | 7.3 | |
CC(1/2) | 0.987 | 0.475 |
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 |