5MOC
Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-19 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.541870 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.910, 112.270, 62.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.599 - 1.800 |
R-factor | 0.1674 |
Rwork | 0.165 |
R-free | 0.20780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lw1 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.714 |
Data scaling software | Aimless (0.5.29) |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.600 | 25.600 | 1.840 |
High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
Rmerge | 0.203 | 0.064 | 0.992 |
Rmeas | 0.223 | ||
Rpim | 0.091 | ||
Total number of observations | 153492 | ||
Number of reflections | 26817 | ||
<I/σ(I)> | 5.8 | ||
Completeness [%] | 99.1 | 95.8 | 90.4 |
Redundancy | 5.7 | 4.4 | 3.6 |
CC(1/2) | 0.982 | 0.994 | 0.667 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.095 M HEPES, pH 7.1, 29% PEG 400, 0.19 M CaCl2, 5% glycerol |