8ALT
Small molecular stabilizer for ERalpha and 14-3-3 (1075311)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033220 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.980, 112.142, 62.347 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.420 - 1.400 |
R-factor | 0.13439 |
Rwork | 0.133 |
R-free | 0.15837 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jc3 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.693 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.420 | 1.430 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 56782 | 2987 |
<I/σ(I)> | 37.7 | |
Completeness [%] | 100.0 | |
Redundancy | 13.2 | |
CC(1/2) | 0.999 | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES (pH 7.1), PEG400 (27% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol |