3UX0
Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilizer Fusicoccin H
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-11-11 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.900, 111.040, 62.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.460 - 1.750 |
R-factor | 0.1535 |
Rwork | 0.151 |
R-free | 0.19160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.742 |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.464 | 1.850 | |
High resolution limit [Å] | 1.750 | 12.000 | 1.750 |
Rmerge | 0.049 | 0.036 | 0.215 |
Number of reflections | 28378 | 86 | 4104 |
<I/σ(I)> | 23.75 | 52.08 | 6.32 |
Completeness [%] | 97.7 | 74.1 | 93.5 |
Redundancy | 5.86 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 26.6% PEG400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |