3ZR7
Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF |
| Synchrotron site | ESRF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-30 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.792, 64.235, 69.981 |
| Unit cell angles | 90.00, 95.67, 90.00 |
Refinement procedure
| Resolution | 42.340 - 1.650 |
| R-factor | 0.16452 |
| Rwork | 0.163 |
| R-free | 0.19176 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.187 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.200 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.060 | |
| Number of reflections | 58497 | |
| <I/σ(I)> | 14.4 | |
| Completeness [%] | 95.2 | |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 20-30%POLYETHYLENE GLYCOL 3350, 0.1M HEPES PH 6.5, 100 MM MG2SO4, 10% GLYCEROL |
