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 |
