7Y8G
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30a and GRIP Peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | LIQUID ANODE |
Source details | BRUKER METALJET |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2021-08-13 |
Detector | BRUKER PHOTON 100 |
Wavelength(s) | 1.34138 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.631, 101.862, 195.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.320 - 2.140 |
R-factor | 0.1881 |
Rwork | 0.185 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5di7 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.604 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.320 | 2.170 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.077 | 0.429 |
Number of reflections | 29607 | 1188 |
<I/σ(I)> | 12.34 | 2.25 |
Completeness [%] | 99.6 | 98.6 |
Redundancy | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295.15 | 18% (w/v) PEG 3350, 0.25 M Ammonium sulfate, and 0.1 M HEPES pH 7.5 |