6OWC
Mutant estrogen receptor alpha (ERa) Y537S covalently bound to H3B-6545.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2017-09-22 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 83.460, 83.460, 151.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.160 - 1.850 |
| R-factor | 0.18008 |
| Rwork | 0.178 |
| R-free | 0.22609 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6chw |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.044 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.200 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.050 | 0.490 |
| Number of reflections | 46101 | 3145 |
| <I/σ(I)> | 26.4 | |
| Completeness [%] | 99.1 | |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 40% PEG 1000, 60 mM NaCl, 0.1 M TAPS pH 9.0 |
