1N4H
Characterization of ligands for the orphan nuclear receptor RORbeta
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-11-11 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.976205 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.199, 58.125, 106.039 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| Rwork | 0.217 |
| R-free | 0.23300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k4w |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.120 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.045 * | 0.175 * |
| Number of reflections | 19344 * | |
| Completeness [%] | 100.0 * | |
| Redundancy | 6.6 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 8 | 295 | Potier, N., (2003) Protein Sci., 12, 725. * |
