6G8K
14-3-3sigma in complex with a S131beta3S 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 | 2016-04-08 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.0332 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.260, 111.730, 62.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.865 - 1.250 |
R-factor | 0.1415 |
Rwork | 0.141 |
R-free | 0.15970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mhr |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.6.3) |
Phasing software | PHASER (2.8.1) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.240 | 66.240 | 1.270 |
High resolution limit [Å] | 1.250 | 6.850 | 1.250 |
Rmerge | 0.101 | 0.077 | 0.853 |
Rmeas | 0.106 | 0.081 | 0.915 |
Rpim | 0.030 | 0.023 | 0.324 |
Total number of observations | 932846 | ||
Number of reflections | 79674 | 562 | 3840 |
<I/σ(I)> | 12.4 | ||
Completeness [%] | 99.9 | 99.9 | 98.8 |
Redundancy | 11.7 | 12.7 | 7.6 |
CC(1/2) | 0.995 | 0.980 | 0.669 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES, pH 7.1, 29% PEG 400, 0.19 M CaCl2, 5% glycerol |