8FGY
Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/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 | 2021-06-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.413, 66.096, 73.382 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.110 - 2.200 |
R-factor | 0.2001 |
Rwork | 0.195 |
R-free | 0.24560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.938 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (v1.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.110 | 56.410 | 2.020 |
High resolution limit [Å] | 1.910 | 5.690 | 1.910 |
Rmerge | 0.510 | 0.333 | 4.495 |
Rmeas | 0.577 | 0.372 | 5.129 |
Number of reflections | 40437 | 1563 | 5927 |
<I/σ(I)> | 2.56 | ||
Completeness [%] | 97.6 | ||
Redundancy | 4.64 | ||
CC(1/2) | 0.862 | 0.943 | 0.238 |
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 |