3ZRA
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 BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-16 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.305, 64.114, 69.932 |
| Unit cell angles | 90.00, 96.53, 90.00 |
Refinement procedure
| Resolution | 28.120 - 1.900 |
| R-factor | 0.21357 |
| Rwork | 0.212 |
| R-free | 0.24844 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.128 |
| Data reduction software | CrystalClear |
| Data scaling software | DTSCALEAVERAGE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.110 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.388 |
| Number of reflections | 38129 | |
| <I/σ(I)> | 9.3 | 2.6 |
| Completeness [%] | 97.4 | 95.5 |
| 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. |
