3BQD
Doubling the Size of the Glucocorticoid Receptor Ligand Binding Pocket by Deacylcortivazol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 62 |
| Unit cell lengths | 93.800, 93.800, 130.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.600 - 2.500 |
| R-factor | 0.231 |
| Rwork | 0.231 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m2z |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.500 |
| Number of reflections | 20243 |
| <I/σ(I)> | 32.1 |
| Completeness [%] | 99.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 1.3 M ammonium sulfate, 100 mM Tris, 8% glycerol, 3 mM n-hexadecyl-beta-maltoside, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
