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 |