7ZTZ
Crystal structure of mutant AR-LBD (Y764C) 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) | 1.4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.388, 65.836, 72.822 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.840 - 1.400 |
| R-factor | 0.1947 |
| Rwork | 0.194 |
| R-free | 0.21960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t7t |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.828 |
| 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] | 65.840 | 65.840 | 1.420 |
| High resolution limit [Å] | 1.400 | 7.670 | 1.400 |
| Rmerge | 0.027 | 0.023 | 1.457 |
| Rmeas | 0.030 | 0.026 | 1.692 |
| Rpim | 0.014 | 0.012 | 0.841 |
| Total number of observations | 247697 | 1626 | 9727 |
| Number of reflections | 53810 | 374 | 2576 |
| <I/σ(I)> | 18.8 | 71.3 | 0.5 |
| Completeness [%] | 99.6 | 94.3 | 98.2 |
| Redundancy | 4.6 | 4.3 | 3.8 |
| CC(1/2) | 1.000 | 0.999 | 0.395 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | sodium citrate HEPES |
