5N5W
14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2016-04-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.293, 112.286, 62.506 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.334 - 1.370 |
| R-factor | 0.1447 |
| Rwork | 0.144 |
| R-free | 0.16510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mhr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.859 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | BUSTER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.850 | 65.850 | 1.390 |
| High resolution limit [Å] | 1.370 | 7.500 | 1.370 |
| Rmerge | 0.072 | 0.035 | 1.348 |
| Rmeas | 0.075 | 0.036 | 1.403 |
| Rpim | 0.021 | 0.010 | 0.387 |
| Total number of observations | 788177 | ||
| Number of reflections | 60317 | ||
| <I/σ(I)> | 20.7 | ||
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 13.1 | 12.3 | 13 |
| CC(1/2) | 1.000 | 1.000 | 0.756 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 277 | 0.095 M Na-HEPES pH 7.1, 28% PEG400, 0.19 M Calcium chloride, 5% Glycerol |
