7ZTZ
Crystal structure of mutant AR-LBD (Y764C) 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 | 2019-04-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.388, 65.836, 72.822 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.840 - 1.400 |
R-factor | 0.1947 |
Rwork | 0.194 |
R-free | 0.21960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t7t |
RMSD bond length | 0.011 |
RMSD bond angle | 1.828 |
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] | 65.840 | 65.840 | 1.420 |
High resolution limit [Å] | 1.400 | 7.670 | 1.400 |
Rmerge | 0.027 | 0.023 | 1.457 |
Rmeas | 0.030 | 0.026 | 1.692 |
Rpim | 0.014 | 0.012 | 0.841 |
Total number of observations | 247697 | 1626 | 9727 |
Number of reflections | 53810 | 374 | 2576 |
<I/σ(I)> | 18.8 | 71.3 | 0.5 |
Completeness [%] | 99.6 | 94.3 | 98.2 |
Redundancy | 4.6 | 4.3 | 3.8 |
CC(1/2) | 1.000 | 0.999 | 0.395 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | sodium citrate HEPES |