3O8I
Structure of 14-3-3 isoform sigma in complex with a C-Raf1 peptide and a stabilizing small molecule fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.99986 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 83.310, 114.860, 64.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.580 - 2.000 |
| R-factor | 0.1877 |
| Rwork | 0.185 |
| R-free | 0.23880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iqu |
| RMSD bond length | 0.029 |
| RMSD bond angle | 1.801 |
| 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] | 20.000 | 2.300 | |
| High resolution limit [Å] | 2.000 | 20.000 | 2.000 |
| Rmerge | 0.072 | 0.349 | |
| Rmeas | 0.400 | ||
| Number of reflections | 21324 | 7221 | |
| <I/σ(I)> | 14.37 | 4.1 | |
| Completeness [%] | 99.5 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277.15 | 0.095M HEPES Na, 26.6%(v/v) PEG400, 0.19M CaCl2, 5%(v/v) Glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |
