3TUG
Crystal structure of the HECT domain of ITCH E3 ubiquitin ligase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 82.779, 82.779, 109.943 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.740 - 2.270 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.25630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3oml |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.940 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.350 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.091 | 0.890 |
| Number of reflections | 20717 | |
| <I/σ(I)> | 38.7 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.8 | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 297 | 30% PEG1500, 0.2M NaCl 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
