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 |
