3K6P
Estrogen Related Receptor alpha in Complex with an Ether Based Ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2006-05-04 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 103.007, 103.007, 110.017 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 51.504 - 1.996 |
| R-factor | 0.2139 |
| Rwork | 0.211 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xb7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.109 |
| Data reduction software | PROTEUM PLUS (PLUS) |
| Data scaling software | PROTEUM PLUS (PLUS) |
| Phasing software | CNS |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.000 | 2.070 |
| High resolution limit [Å] | 1.996 | 1.996 |
| Rmerge | 0.374 | |
| Number of reflections | 23992 | |
| <I/σ(I)> | 8.2 | 2.18 |
| Completeness [%] | 99.8 | 99.92 |
| Redundancy | 11.87 | 11.87 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | Ammonium Sulfate, PIPES and Sodium Thiocyanate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
