8FH1
Crystal structure of mutant Androgen Receptor ligand binding domain F877L/T878A with DHT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.351, 66.064, 73.165 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.030 - 1.690 |
R-factor | 0.2012 |
Rwork | 0.199 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.085 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (v1.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 200.000 | 200.000 | 1.800 |
High resolution limit [Å] | 1.690 | 5.070 | 1.690 |
Rmerge | 0.038 | 0.024 | 0.908 |
Rmeas | 0.045 | 0.028 | 1.051 |
Number of reflections | 58240 | 2200 | 9330 |
<I/σ(I)> | 14.93 | ||
Completeness [%] | 99.2 | ||
Redundancy | 3.85 | ||
CC(1/2) | 0.999 | 0.999 | 0.746 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.4-0.8 M sodium citrate, 0.1 M Hepes pH 7.5, 20% (v/v) ethylene glycol |