5EJV
RORy in complex with T090131718 and Coactivator peptide EBI96
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 41 |
| Unit cell lengths | 63.139, 63.139, 160.441 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.140 - 2.580 |
| R-factor | 0.182 |
| Rwork | 0.179 |
| R-free | 0.23080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l0l |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.074 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.140 | 63.140 | 2.720 |
| High resolution limit [Å] | 2.580 | 8.160 | 2.580 |
| Rmerge | 0.136 | 0.044 | 0.912 |
| Total number of observations | 147183 | 4228 | 21516 |
| Number of reflections | 19787 | ||
| <I/σ(I)> | 8.8 | 15.2 | 2.6 |
| Completeness [%] | 100.0 | 99 | 100 |
| Redundancy | 7.4 | 6.6 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 1.0M Na Acetate/0.2M NaSCN/0.1M TRIS pH 7.0 |
