3P1R
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-05-06 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.320, 112.290, 62.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.580 - 1.700 |
R-factor | 0.15269 |
Rwork | 0.151 |
R-free | 0.19355 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lw1 |
RMSD bond length | 0.028 |
RMSD bond angle | 2.204 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.600 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.096 | 0.315 |
Number of reflections | 31854 | |
<I/σ(I)> | 18.7 | 5.37 |
Completeness [%] | 98.5 | 97.1 |
Redundancy | 3.95 | 3.91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277 | 0.095M HEPES Na-Salt, 25.6% PEG 400, 0.19M CaCl2, 5% Glycerol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |