4ZN7
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Diethylstilbestrol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-05-03 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.700, 81.560, 58.300 |
| Unit cell angles | 90.00, 111.04, 90.00 |
Refinement procedure
| Resolution | 40.780 - 1.934 |
| R-factor | 0.1987 |
| Rwork | 0.197 |
| R-free | 0.22620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b1v |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.756 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.780 | 2.000 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Number of reflections | 35338 | |
| <I/σ(I)> | 5.3 | 3.9 |
| Completeness [%] | 98.8 | 88.7 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 294 | 15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris |
