6QDR
Crystal structure of 14-3-3sigma in complex with a PAK6 pT99 phosphopeptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-05 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5419 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.479, 112.397, 62.667 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.839 - 1.615 |
R-factor | 0.1527 |
Rwork | 0.151 |
R-free | 0.18220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jc3 |
Data reduction software | xia2 |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.840 | 41.850 | 1.640 |
High resolution limit [Å] | 1.615 | 4.380 | 1.615 |
Rmeas | 0.082 | 0.035 | 0.347 |
Rpim | 0.033 | 0.014 | 0.246 |
Number of reflections | 31456 | 2035 | 69 |
<I/σ(I)> | 16.2 | 34.8 | 1.8 |
Completeness [%] | 83.4 | 100 | 3.7 |
Redundancy | 5.7 | 5.6 | 1.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.19 M CaCl2, 5% v/v glycerol, 28 % PEG400, 0.095 M HEPES, pH 7.1 |