7RS4
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-8
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 | 2018-07-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 53.087, 58.816, 93.709 |
Unit cell angles | 86.88, 75.21, 63.40 |
Refinement procedure
Resolution | 90.390 - 1.780 |
R-factor | 0.1989 |
Rwork | 0.196 |
R-free | 0.25090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 2QXS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.382 |
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] | 90.390 | 2.020 |
High resolution limit [Å] | 1.780 | 1.780 |
Number of reflections | 49778 | 2490 |
<I/σ(I)> | 9 | |
Completeness [%] | 54.3 | |
Redundancy | 3.8 | |
CC(1/2) | 0.997 | 0.553 |
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 |