7ZU2
Crystal structure of mutant AR-LBD (Q799E) 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) | 1.74 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.514, 66.043, 72.424 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.590 - 1.740 |
| R-factor | 0.1847 |
| Rwork | 0.183 |
| R-free | 0.21860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t7t |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.581 |
| 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] | 44.590 | 44.550 | 1.770 |
| High resolution limit [Å] | 1.740 | 9.040 | 1.740 |
| Rmerge | 0.080 | 0.032 | 2.153 |
| Rmeas | 0.089 | 0.037 | 2.398 |
| Rpim | 0.039 | 0.017 | 1.042 |
| Total number of observations | 1114 | 8184 | |
| Number of reflections | 28510 | 246 | 1559 |
| <I/σ(I)> | 12.3 | 36.7 | 1.5 |
| Completeness [%] | 100.0 | 99.1 | 100 |
| Redundancy | 5.2 | 4.5 | 5.2 |
| CC(1/2) | 0.999 | 0.998 | 0.337 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | ammonium acetate tris sodium formate spermidine |
