5TJ7
Structure of WWP2 WW2-2,3-linker-HECT aa 334-398 linked to 485-865
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ DW |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-18 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.5417 |
Spacegroup name | P 1 |
Unit cell lengths | 72.000, 73.907, 82.380 |
Unit cell angles | 89.99, 89.66, 90.01 |
Refinement procedure
Resolution | 50.000 - 2.600 |
R-factor | 0.2108 |
Rwork | 0.207 |
R-free | 0.28360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tjq |
RMSD bond length | 0.013 |
RMSD bond angle | 1.989 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
Rmerge | 0.053 | 0.033 | 0.131 |
Rmeas | 0.069 | 0.044 | 0.177 |
Rpim | 0.044 | 0.028 | 0.118 |
Total number of observations | 101067 | ||
Number of reflections | 47592 | ||
<I/σ(I)> | 16.6 | ||
Completeness [%] | 91.2 | 99.4 | 55.4 |
Redundancy | 2.1 | 2 | 1.8 |
CC(1/2) | 0.996 | 0.928 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 0.1 M potassium thiocyanate, 30% PEG monomethyl ether 2000 |