3ZRB
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 | 2006-08-22 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.252, 64.057, 69.691 |
| Unit cell angles | 90.00, 96.62, 90.00 |
Refinement procedure
| Resolution | 69.171 - 1.800 |
| Rwork | 0.184 |
| R-free | 0.22070 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.170 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 46.180 |
| High resolution limit [Å] | 1.800 |
| Rmerge | 0.070 |
| Number of reflections | 44010 |
| <I/σ(I)> | 12.9 |
| Completeness [%] | 96.5 |
| Redundancy | 3.7 |
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 |
