5NI8
Ligand complex of RORg LBD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.984 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 62.150, 62.150, 158.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.950 - 1.940 |
| R-factor | 0.2375 |
| Rwork | 0.236 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l0l |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | BUSTER (2.11.5 PACIOREK) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.880 | 2.010 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.238 | 1.417 |
| Number of reflections | 23286 | 2210 |
| <I/σ(I)> | 8.7 | 1.7 |
| Completeness [%] | 98.1 | 97 |
| Redundancy | 12.4 | 13.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.1M Bis tris pH 6.25, 0.1 M NaCl, 2M NaFormate |
