7ZTX
Crystal structure of mutant AR-LBD (F755V) 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 | 2019-10-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.89 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.573, 65.824, 70.369 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.070 - 1.890 |
| R-factor | 0.2025 |
| Rwork | 0.200 |
| R-free | 0.25070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t7t |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.606 |
| 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] | 65.820 | 65.820 | 1.930 |
| High resolution limit [Å] | 1.890 | 9.060 | 1.890 |
| Rmerge | 0.107 | 0.055 | 3.152 |
| Rmeas | 0.116 | 0.060 | 3.399 |
| Rpim | 0.045 | 0.024 | 1.257 |
| Total number of observations | 143549 | 1284 | 9454 |
| Number of reflections | 20910 | 238 | 1309 |
| <I/σ(I)> | 8.8 | 25.3 | 0.7 |
| Completeness [%] | 99.9 | 99.6 | 100 |
| Redundancy | 6.9 | 5.4 | 7.2 |
| CC(1/2) | 0.998 | 0.998 | 0.364 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | ammonium sulfate HEPES urea |
