6WOK
Crystal structure of estrogen receptor alpha in complex with receptor degrader 6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2015-04-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.609, 59.102, 94.718 |
| Unit cell angles | 86.61, 74.78, 63.29 |
Refinement procedure
| Resolution | 38.449 - 2.309 |
| R-factor | 0.1753 |
| Rwork | 0.172 |
| R-free | 0.25030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NA |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.084 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.046 | 0.039 | 0.310 |
| Rmeas | 0.065 | 0.055 | 0.439 |
| Rpim | 0.046 | 0.039 | 0.310 |
| Total number of observations | 50113 | ||
| Number of reflections | 32320 | 1852 | 1453 |
| <I/σ(I)> | 8.8 | ||
| Completeness [%] | 73.7 | 84.1 | 65.2 |
| Redundancy | 1.6 | 1.8 | 1.4 |
| CC(1/2) | 0.994 | 0.574 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 25-35% PEG 3,350 0.1 M Bis-Tris (pH 6.1-6.5) 150-300 mM MgCl2 |
