4APU
PR X-Ray structures in agonist conformations reveal two different mechanisms for partial agonism in 11beta-substituted steroids
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-03-10 |
| Detector | R-AXIS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.662, 64.374, 70.468 |
| Unit cell angles | 90.00, 96.33, 90.00 |
Refinement procedure
| Resolution | 70.040 - 1.900 |
| R-factor | 0.20788 |
| Rwork | 0.205 |
| R-free | 0.25160 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3zr7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.476 |
| Data reduction software | d*TREK |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.400 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | 0.730 |
| Number of reflections | 40585 | |
| <I/σ(I)> | 9.3 | 1.9 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 20-30% POLYETHYLENE GLYCOL 3350, 0.1 M HEPES PH 6.5, 100 MM MG2SO4, 10% GLYCEROL |
