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 |