7PWT
Crystal structure of 14-3-3 sigma in complex with a C-terminal Estrogen Receptor alpha phosphopeptide, stabilised by pyrrolidone derivative 228
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-13 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5419 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 63.838, 151.081, 77.721 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.526 - 2.312 |
| R-factor | 0.2293 |
| Rwork | 0.228 |
| R-free | 0.25350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jc3 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (3500) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.530 | 2.350 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.160 | 0.792 |
| Rmeas | 0.176 | 0.907 |
| Rpim | 0.070 | 0.429 |
| Number of reflections | 16214 | 551 |
| <I/σ(I)> | 5.5 | |
| Completeness [%] | 96.1 | |
| Redundancy | 5.6 | 3.3 |
| CC(1/2) | 0.982 | 0.881 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1 : 1 (v/v) 0.1 M Tris, pH 7.0, 0.2 magnesium chloride hexahydrate and 10 % v/v PEG 8000 |
