5N5R
14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-16 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.962, 111.974, 62.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.741 - 1.801 |
R-factor | 0.1506 |
Rwork | 0.149 |
R-free | 0.18180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mhr |
RMSD bond length | 0.012 |
RMSD bond angle | 0.916 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.7) |
Phasing software | BUSTER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.480 | 45.480 | 1.840 |
High resolution limit [Å] | 1.800 | 9.010 | 1.800 |
Rmerge | 0.040 | 0.014 | 0.169 |
Rmeas | 0.043 | 0.016 | 0.190 |
Rpim | 0.017 | 0.007 | 0.083 |
Number of reflections | 26488 | ||
<I/σ(I)> | 38.9 | ||
Completeness [%] | 98.1 | 98.8 | 87.1 |
Redundancy | 6.3 | 5.1 | 4.7 |
CC(1/2) | 1.000 | 1.000 | 0.977 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 277 | 0.095M Na-HEPES pH 7.1, 28% PEG400, 0.19M Calcium chloride, 5% Glycerol |