7ZU1
Crystal structure of mutant AR-LBD (V758A) bound to dihydrotestosterone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.68 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.619, 66.169, 70.951 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.390 - 1.680 |
R-factor | 0.2143 |
Rwork | 0.212 |
R-free | 0.25450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t7t |
RMSD bond length | 0.007 |
RMSD bond angle | 1.420 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.7) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.170 | 66.170 | 1.710 |
High resolution limit [Å] | 1.680 | 9.050 | 1.680 |
Rmerge | 0.077 | 0.050 | 1.729 |
Rmeas | 0.084 | 0.054 | 2.026 |
Rpim | 0.033 | 0.022 | 1.015 |
Total number of observations | 176567 | 1438 | 4168 |
Number of reflections | 29533 | 249 | 1229 |
<I/σ(I)> | 10.3 | 27.2 | 0.7 |
Completeness [%] | 96.6 | 99.3 | 80.4 |
Redundancy | 6 | 5.8 | 3.4 |
CC(1/2) | 0.998 | 0.997 | 0.364 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | ammonium acetate ammonium sulfate HEPES |