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 |
