6EL7
Glucocorticoid Receptor in complex with compound 31
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.972 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 83.850, 83.850, 106.120 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 59.930 - 2.180 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4csj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.010 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.930 | 2.240 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rpim | 0.057 | 0.701 |
| Number of reflections | 22993 | |
| <I/σ(I)> | 18.1 | 2.5 |
| Completeness [%] | 99.8 | |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 8-10% PEG8000, 10-19% Ethylene Glycol, 0.1 M HEPES pH 7.5 |
