3D24
Crystal structure of ligand-binding domain of estrogen-related receptor alpha (ERRalpha) in complex with the peroxisome proliferators-activated receptor coactivator-1alpha box3 peptide (PGC-1alpha)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.93300 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.400, 56.000, 96.200 |
| Unit cell angles | 90.00, 106.40, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.110 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xb7 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.054 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.190 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Number of reflections | 109542 | |
| <I/σ(I)> | 26.2 | |
| Completeness [%] | 88.9 | 76.9 |
| Redundancy | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 290 | 0.1 M Bis-Tris pH 5.5, 15% PEG 3350, 0.2 M Mg(NO3)2, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
