6HHP
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-01-13 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.867, 112.213, 62.408 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.022 - 1.802 |
R-factor | 0.1733 |
Rwork | 0.171 |
R-free | 0.21530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jc3 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.827 |
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] | 45.390 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.052 | 0.214 |
Number of reflections | 26771 | |
<I/σ(I)> | 30.8 | |
Completeness [%] | 99.3 | |
Redundancy | 6.2 | |
CC(1/2) | 0.999 |
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 |