2R6Y
Estrogen receptor alpha ligand-binding domain in complex with a SERM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 63.132, 98.737, 174.981 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.730 - 2.000 |
| R-factor | 0.21228 |
| Rwork | 0.210 |
| R-free | 0.27098 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1err |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.572 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.3.0040) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.045 | 0.324 |
| Number of reflections | 34113 | |
| <I/σ(I)> | 13.2 | 2 |
| Completeness [%] | 91.3 | 54.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.8 | 298 | 100 mM MES pH 6.8, 0.5 M MgCl2, 15% w/v PEG 4000, VAPOR DIFFUSION, temperature 298K |
