7ZTV
Crystal structure of mutant AR-LBD (F755L) 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) | 1.95 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.175, 65.798, 72.307 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.670 - 1.940 |
R-factor | 0.2176 |
Rwork | 0.216 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t7t |
RMSD bond length | 0.006 |
RMSD bond angle | 1.481 |
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] | 56.180 | 56.180 | 1.990 |
High resolution limit [Å] | 1.940 | 9.100 | 1.940 |
Rmerge | 0.082 | 0.048 | 0.614 |
Rmeas | 0.093 | 0.054 | 0.720 |
Rpim | 0.042 | 0.023 | 0.363 |
Total number of observations | 84880 | 1200 | 3942 |
Number of reflections | 18026 | 249 | 1027 |
<I/σ(I)> | 10.4 | 19.5 | 2.8 |
Completeness [%] | 88.1 | 99.9 | 76.8 |
Redundancy | 4.7 | 4.8 | 3.8 |
CC(1/2) | 0.989 | 0.998 | 0.854 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | sodium chloride tris sodium acetate trihydrate |