6G8I
14-3-3sigma in complex with a R124beta3R mutated YAP pS127 phosphopeptide
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 | 2016-07-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.033200 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.118, 112.170, 62.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.085 - 1.600 |
R-factor | 0.1508 |
Rwork | 0.150 |
R-free | 0.17340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mhr |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.31) |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.260 | 66.260 | 1.630 |
High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
Rmerge | 0.161 | 0.079 | 1.526 |
Rmeas | 0.169 | 0.085 | 1.598 |
Rpim | 0.050 | 0.027 | 0.468 |
Total number of observations | 442277 | ||
Number of reflections | 38495 | 282 | 1882 |
<I/σ(I)> | 11.4 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 11.5 | 11.9 | 11.5 |
CC(1/2) | 0.979 | 0.877 | 0.708 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES pH 7.5, 26% PEG400, 0.19 M CaCl2, 5% glycerol |