5G3J
Discovery of New Selective Glucocorticoid Receptor Agonist Leads
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2006-04-26 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 84.263, 84.263, 106.678 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.060 - 2.400 |
| R-factor | 0.198 |
| Rwork | 0.197 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4csj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.100 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.070 | 0.400 |
| Number of reflections | 17005 | |
| <I/σ(I)> | 7.1 | 1.8 |
| Completeness [%] | 97.4 | 97.4 |
| Redundancy | 4.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 8% PEG8000, 15% ETHYLENE GLYCOL AND 0.1 M HEPES PH 7.5 |
