7E2E
Crystal structure of the Estrogen-Related Receptor alpha (ERRalpha) ligand-binding domain (LBD) in complex with an agonist DS45500853 and a PGC-1alpha peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-02 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | P 43 |
Unit cell lengths | 71.326, 71.326, 97.653 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.700 |
R-factor | 0.2558 |
Rwork | 0.250 |
R-free | 0.30510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xb7 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.264 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.086 | 0.443 |
Number of reflections | 13464 | 685 |
<I/σ(I)> | 23.1 | 3.8 |
Completeness [%] | 99.7 | |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 295 | 18% (v/v) PEG 3350, 0.2 M NaI, 0.1 M HEPES (pH 7.6) |