3E7C
Glucocorticoid Receptor LBD bound to GSK866
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 61 |
| Unit cell lengths | 126.654, 126.654, 78.991 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.909 - 2.150 |
| Rwork | 0.210 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | non public liganded GR LBD crystal structure at 2.2 A in P61 SG |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.701 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 4.630 | 2.150 |
| Rmerge | 0.047 | 0.029 | 0.478 |
| Number of reflections | 37919 | ||
| Completeness [%] | 96.4 | 99.9 | 91.7 |
| Redundancy | 8.2 | 9.2 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.1M MES pH 6.5, 1.6M MgSO4, 0.1% betahexaglucoside, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
