3NS8
Crystal structure of an open conformation of Lys48-linked diubiquitin at pH 7.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97927 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 24.047, 56.498, 46.841 |
| Unit cell angles | 90.00, 93.37, 90.00 |
Refinement procedure
| Resolution | 18.293 - 1.707 |
| R-factor | 0.1886 |
| Rwork | 0.186 |
| R-free | 0.23720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ubq |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.115 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.300 | 1.760 |
| High resolution limit [Å] | 1.707 | 1.710 |
| Number of reflections | 12906 | |
| <I/σ(I)> | 17.3 | 5.4 |
| Completeness [%] | 94.4 | 72.7 |
| Redundancy | 4.5 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | HEPES, PEG 8000, Ethylene Glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
