3SMM
Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin J aglycone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-09-16 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5148 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.110, 111.580, 62.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.500 - 2.000 |
R-factor | 0.1689 |
Rwork | 0.166 |
R-free | 0.21580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lw1 |
RMSD bond length | 0.023 |
RMSD bond angle | 1.841 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.500 | 19.500 | 2.100 |
High resolution limit [Å] | 2.000 | 10.000 | 2.000 |
Rmerge | 0.124 | 0.026 | 0.388 |
Number of reflections | 19616 | 154 | 2633 |
<I/σ(I)> | 13.42 | 33.65 | 4.34 |
Completeness [%] | 99.3 | 80.2 | 99.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277 | 0.095M HEPES Na-Salt pH7.4, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K |