4CSJ
The discovery of potent selective glucocorticoid receptor modulators, suitable for inhalation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 287 |
| Detector technology | CCD |
| Collection date | 2006-09-18 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 84.354, 84.354, 105.669 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.810 - 2.300 |
| R-factor | 0.2193 |
| Rwork | 0.218 |
| R-free | 0.23380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m2z |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.800 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.090 | 0.580 |
| Number of reflections | 19850 | |
| <I/σ(I)> | 4.9 | 1.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 10% PEG8000, 20% ETHYLENE GLYCOL AND 0.1 M HEPES PH7.5 |
