6YR5
14-3-3 sigma in complex with hDMX-367 peptide
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] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.033208 |
| Spacegroup name | P 1 |
| Unit cell lengths | 63.950, 75.300, 78.390 |
| Unit cell angles | 95.15, 113.14, 93.84 |
Refinement procedure
| Resolution | 74.500 - 2.250 |
| R-factor | 0.1987 |
| Rwork | 0.198 |
| R-free | 0.22220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dat |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.659 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.6.3) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.530 | 71.500 | 2.140 |
| High resolution limit [Å] | 2.100 | 10.500 | 2.100 |
| Rmerge | 0.114 | 0.081 | 0.673 |
| Rmeas | 0.125 | 0.088 | 0.739 |
| Rpim | 0.051 | 0.035 | 0.298 |
| Total number of observations | 4127 | 26508 | |
| Number of reflections | 75667 | 607 | 4474 |
| <I/σ(I)> | 9.5 | 21.4 | 2.8 |
| Completeness [%] | 97.4 | 98.2 | 96.4 |
| Redundancy | 5.8 | 6.8 | 5.9 |
| CC(1/2) | 0.990 | 0.980 | 0.797 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1M Bis-Tris propane pH 7, 0.2 M Sodium citrate, 20% PEG3350 |
