7WNV
Crystal structure of mutant estrogen receptor alpha Y537S in complex with CO9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 |
Unit cell lengths | 53.928, 58.834, 93.062 |
Unit cell angles | 90.31, 105.39, 117.15 |
Refinement procedure
Resolution | 19.670 - 2.300 |
R-factor | 0.2043 |
Rwork | 0.203 |
R-free | 0.23550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6owc |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.19.2_4158) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.670 | 2.382 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.066 | |
Rmeas | 0.077 | |
Rpim | 0.040 | |
Number of reflections | 41425 | 41425 |
<I/σ(I)> | 13.56 | |
Completeness [%] | 96.0 | |
Redundancy | 3.59 | |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | PEG 3350, sodium citrate tribasic dihydrate, magnesium chloride |