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 |