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 |
