6HMU
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C45 mutant bound to disulfide fragment PPI stabilizer 6
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 | 2016-04-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.0331 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.856, 112.402, 62.582 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.928 - 1.200 |
R-factor | 0.1883 |
Rwork | 0.187 |
R-free | 0.20610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jc3 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.844 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BUSTER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.180 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.049 | |
Rmeas | 0.051 | |
Number of reflections | 90076 | 4343 |
<I/σ(I)> | 28.2 | 2.9 |
Completeness [%] | 99.9 | 98.5 |
Redundancy | 12.6 | 9 |
CC(1/2) | 1.000 | 0.838 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 278 | 0.095M Hepes, 0.19M CaCl2, 5% glycerol, 26% PEG 400 |