5TJQ
Structure of WWP2 2,3-linker-HECT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.041, 62.581, 102.372 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.750 |
| R-factor | 0.229 |
| Rwork | 0.225 |
| R-free | 0.31700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y07 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.425 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
| High resolution limit [Å] | 2.750 | 7.460 | 2.750 |
| Rmerge | 0.064 | 0.043 | 0.463 |
| Rmeas | 0.071 | 0.048 | 0.513 |
| Rpim | 0.029 | 0.021 | 0.216 |
| Total number of observations | 63592 | ||
| Number of reflections | 10662 | ||
| <I/σ(I)> | 8.9 | ||
| Completeness [%] | 99.1 | 92.8 | 98.6 |
| Redundancy | 6 | 5.4 | 5.2 |
| CC(1/2) | 0.998 | 0.834 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 298 | 0.1 M MMT (DL-malic acid, MES, Tris-base in molar ratio of 1:2:2) pH 6.0, 25% PEG1500 |
