6QDS
Crystal structure of 14-3-3sigma in complex with a PAK6 pT99 phosphopeptide stabilized by semi-synthetic fusicoccane FC-NCPC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-08 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5419 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.420, 111.770, 62.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.517 - 1.720 |
| R-factor | 0.169 |
| Rwork | 0.168 |
| R-free | 0.19820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jc3 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.520 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.118 | |
| Rmeas | 0.142 | |
| Rpim | 0.078 | |
| Number of reflections | 31576 | 1348 |
| <I/σ(I)> | 9.3 | 1.2 |
| Completeness [%] | 98.1 | 79.8 |
| Redundancy | 5.5 | 2.5 |
| CC(1/2) | 0.997 | 0.437 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.19 M CaCl2, 5 % v/v glycerol, 28 % PEG 400, 0.095 M HEPES, pH 7.1 |
