6HRX
EthR2 in complex with compound 2 (BDM72201)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.540, 74.150, 91.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.430 - 1.870 |
| R-factor | 0.22381 |
| Rwork | 0.222 |
| R-free | 0.25613 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n7o |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.532 |
| Data reduction software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmeas | 0.048 | 0.614 |
| Number of reflections | 34087 | 5344 |
| <I/σ(I)> | 20.66 | 2.92 |
| Completeness [%] | 99.5 | 98.2 |
| Redundancy | 5.41 | 5.36 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.2M ammonium chloride, 0.1M MES pH6.0, 20%(W/V) PEG6000 |
