5Y41
Crystal Structure of LIGAND-BOUND NURR1-LBD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-04 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 88.520, 131.460, 47.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.050 |
| R-factor | 0.20719 |
| Rwork | 0.206 |
| R-free | 0.25288 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ovl |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.786 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.000 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.071 | 0.616 |
| Number of reflections | 35308 | 5050 |
| <I/σ(I)> | 5.5 | 2.3 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 4.8 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | PEG 3350, MES pH 5.5 and MgCl2 |
