7UJY
Estrogen receptor alpha ligand binding domain Y537S mutant in complex with a methylated lasofoxifene derivative that enhances estrogen receptor alpha nuclear resonance time
Replaces: 6VPKExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-06-19 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 32 |
| Unit cell lengths | 58.343, 58.343, 274.652 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.690 - 1.700 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6VIG |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.720 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rpim | 0.081 | |
| Number of reflections | 105602 | 4200 |
| <I/σ(I)> | 20 | |
| Completeness [%] | 99.0 | |
| Redundancy | 4 | |
| CC(1/2) | 0.510 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298.15 | PEG 3,350, Tris pH 7.5, MgCl2 |
