6EU9
Crystal structure of Platynereis dumerilii RAR ligand-binding domain in complex with all-trans retinoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 187.410, 68.150, 95.080 |
| Unit cell angles | 90.00, 100.75, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.690 |
| R-factor | 0.2573 |
| Rwork | 0.255 |
| R-free | 0.29970 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.230 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 46.705 | 2.780 |
| High resolution limit [Å] | 2.690 | 10.420 | 2.690 |
| Rmerge | 0.026 | 0.589 | |
| Rmeas | 0.064 | 0.032 | 0.697 |
| Rpim | 0.035 | 0.018 | 0.369 |
| Number of reflections | 32596 | 593 | 3225 |
| <I/σ(I)> | 17.6 | 12.1 | 1.3 |
| Completeness [%] | 98.8 | 97.1 | 99.7 |
| Redundancy | 3.2 | 3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M sodium acetate, 0.1 M HEPES pH 7.5, 20% PEG 3000 |
