1E3G
Human Androgen Receptor Ligand Binding in complex with the ligand metribolone (R1881)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-09-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.280, 66.140, 71.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.400 - 2.400 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.29700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a28 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 21.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.400 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.078 | 0.351 |
| Total number of observations | 37443 * | |
| Number of reflections | 10638 | |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 20 * | RESERVOIR SOLUTION: 0.4M NA2HPO4-2(H2O), 0.4M K2HPO4, 0.1M TRIS-HCL PH 8.5, 0.1M (NH4)2HPO4 AND 5% PEG200. DROPS WERE COMPOSED OF EQUAL VOLUMES OF PROTEIN AND RESERVOIR SOLUTION AND WERE SET UP USING THE SITTING DROP METHOD. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4.4 (mg/ml) | |
| 2 | 1 | reservoir | 0.4 (M) | ||
| 3 | 1 | reservoir | sodium phosphate | 0.4 (M) | |
| 4 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
| 5 | 1 | reservoir | 0.1 (M) | ||
| 6 | 1 | reservoir | PEG200 | 5 (%) |
