1XP6
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 16
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 |
| Collection date | 2001-12-15 |
| Detector | ADSC |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 58.570, 58.570, 276.310 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.700 |
| R-factor | 0.177 |
| R-free | 0.26700 |
| Structure solution method | ISOMORPHOUS REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.024 |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Refinement software | SHELXL (97-1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.900 | 1.810 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.060 | 0.356 |
| Number of reflections | 30744 | |
| <I/σ(I)> | 53.152 | 2.339 |
| Completeness [%] | 95.3 | 80.2 |
| Redundancy | 12.099 | 6.17 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.1 | 2-10% PEG 3350, 0.02-0.20M MGCL2, IMIDAZOLE, VAPOR DIFFUSION, HANGING DROP, PH 7.10 |
