7S6O
The crystal structure of Lys48-linked di-ubiquitin
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 | PIXEL |
| Collection date | 2021-06-15 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 23.804, 56.577, 46.201 |
| Unit cell angles | 90.00, 93.37, 90.00 |
Refinement procedure
| Resolution | 46.120 - 1.250 |
| R-factor | 0.1313 |
| Rwork | 0.129 |
| R-free | 0.17550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e6j |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.581 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.270 |
| High resolution limit [Å] | 1.250 | 3.390 | 1.250 |
| Rmerge | 0.072 | 0.056 | 0.497 |
| Rmeas | 0.086 | 0.066 | 0.656 |
| Rpim | 0.046 | 0.035 | 0.424 |
| Total number of observations | 91217 | ||
| Number of reflections | 28558 | 1665 | 576 |
| <I/σ(I)> | 10.9 | ||
| Completeness [%] | 84.7 | 96.2 | 34.9 |
| Redundancy | 3.2 | 3.5 | 2.1 |
| CC(1/2) | 0.991 | 0.624 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 289 | 50 mM acetate, 8.6% PEG2000 MME, 17.1% PEG400 |
