7UJC
Raloxifene in Complex with Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutation
Replaces: 7KCAExperimental 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 | 2019-06-17 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.557, 57.841, 87.938 |
Unit cell angles | 90.00, 103.74, 90.00 |
Refinement procedure
Resolution | 29.180 - 1.780 |
R-factor | 0.1936 |
Rwork | 0.192 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ufx |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.180 | 1.820 |
High resolution limit [Å] | 1.780 | 1.780 |
Number of reflections | 39306 | 4800 |
<I/σ(I)> | 2.47 | |
Completeness [%] | 98.6 | |
Redundancy | 3.6 | |
CC(1/2) | 0.980 | 0.510 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 8,000, MgCl2 |