4JDD
14-3-3 protein interaction with Estrogen Receptor Alpha provides a novel drug target interface
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-08-20 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.490, 111.430, 62.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.800 - 2.100 |
R-factor | 0.1944 |
Rwork | 0.192 |
R-free | 0.23160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.992 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.800 | 2.150 | |
High resolution limit [Å] | 2.100 | 12.000 | 2.100 |
Rmerge | 0.112 | 0.025 | 0.476 |
Number of reflections | 17090 | 89 | 1144 |
<I/σ(I)> | 17.79 | 57.79 | 4.77 |
Completeness [%] | 99.8 | 74.2 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 26.6% PEG400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |