5NIB
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 | PIXEL |
| Collection date | 2013-10-25 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 62.140, 62.140, 158.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.940 - 1.820 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.22680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l0l |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.940 |
| 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] | 48.870 | 1.920 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.122 | 2.261 |
| Number of reflections | 28799 | 4112 |
| <I/σ(I)> | 14.7 | 1.2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 12.7 | 13.3 |
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 |
