3SMO
Crystal structure of human 14-3-3 sigma C38V/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 | 2010-08-27 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.600, 111.320, 62.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.790 - 1.800 |
| R-factor | 0.15976 |
| Rwork | 0.158 |
| R-free | 0.20331 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lw1 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.244 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.800 | 19.787 | 1.900 |
| High resolution limit [Å] | 1.800 | 15.000 | 1.800 |
| Rmerge | 0.048 | 0.027 | 0.169 |
| Number of reflections | 26164 | ||
| <I/σ(I)> | 26.3 | 45.81 | 9.95 |
| Completeness [%] | 98.1 | 50 | 96.4 |
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 |
