3SP5
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-08-27 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.800, 111.560, 62.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.490 - 1.800 |
R-factor | 0.1643 |
Rwork | 0.162 |
R-free | 0.21120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lw1 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.049 |
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 | 19.489 | 1.900 |
High resolution limit [Å] | 1.800 | 10.000 | 1.800 |
Rmerge | 0.059 | 0.021 | 0.210 |
Number of reflections | 26606 | 159 | 3883 |
<I/σ(I)> | 24.52 | 50.39 | 8.12 |
Completeness [%] | 99.1 | 82.8 | 97.8 |
Redundancy | 3.92 |
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 |