2W8Y
RU486 bound to the progesterone receptor in a destabilized agonistic conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-17 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.164, 63.897, 70.051 |
| Unit cell angles | 90.00, 95.57, 90.00 |
Refinement procedure
| Resolution | 69.670 - 1.800 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.082 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.4.0078) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.100 | 0.900 |
| Number of reflections | 45609 | |
| <I/σ(I)> | 7.3 | 1.2 |
| Completeness [%] | 96.1 | 77.8 |
| Redundancy | 3.4 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 22.5% PEG4000, 0.1M HEPES 6.5, 100 MM LI2SO4 |
