6CHZ
Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2016-11-12 |
Detector | RAYONIX MX225-HS |
Wavelength(s) | 0.9787 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 58.608, 58.608, 276.303 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.760 - 1.680 |
R-factor | 0.21475 |
Rwork | 0.212 |
R-free | 0.26187 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.124 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.760 | 1.740 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.109 | 0.866 |
Number of reflections | 33396 | |
<I/σ(I)> | 16.7 | |
Completeness [%] | 99.6 | |
Redundancy | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 296 | 6-12% PEG 3350, 50-150 mM MgCl2, 0.1 M imidazole pH 7.1 |