8C30
Crystal structure of 14-3-3 in complex with PyrinpS242 and a protein/peptide interface fragment
This is a non-PDB format compatible entry.
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 | 2020-06-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.033215 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.142, 111.969, 62.477 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.488 - 1.400 |
| Rwork | 0.179 |
| R-free | 0.20390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.004 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.480 | 1.440 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 55917 | 3331 |
| <I/σ(I)> | 20.5 | |
| Completeness [%] | 98.1 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.998 | 0.948 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.19 M CaCl 2 , 5% glycerol, 26% PEG 400, 0.095 M HEPES, pH 7.5 |
