6YIA
14-3-3 sigma in complex with SMAD2 pS465 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-20 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00001 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.050, 111.600, 62.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.340 - 1.300 |
| R-factor | 0.1471 |
| Rwork | 0.145 |
| R-free | 0.18150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mhr |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.800 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (7.0.024) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.340 | 1.330 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Number of reflections | 70364 | 13786 |
| <I/σ(I)> | 20.52 | 2.02 |
| Completeness [%] | 99.8 | |
| Redundancy | 24.08 | |
| CC(1/2) | 0.999 | 0.702 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 0.1 M HEPES pH7.1 0.19 M CaCl2 5% glycerol 28% PEG400 |
