7Y8F
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o 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 | 2021-08-22 |
Detector | BRUKER PHOTON 100 |
Wavelength(s) | 1.34138 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.741, 101.584, 195.304 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.220 - 2.220 |
R-factor | 0.1913 |
Rwork | 0.188 |
R-free | 0.25140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5di7 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.779 |
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] | 35.220 | 2.250 |
High resolution limit [Å] | 2.220 | 2.220 |
Rmerge | 0.077 | 0.443 |
Number of reflections | 26472 | 990 |
<I/σ(I)> | 13.23 | 2.25 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 8.4 |
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 |