4XYZ
Crystal structure of K33 linked di-Ubiquitin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 29.480, 57.017, 33.984 |
| Unit cell angles | 90.00, 95.45, 90.00 |
Refinement procedure
| Resolution | 33.830 - 1.650 |
| R-factor | 0.16493 |
| Rwork | 0.162 |
| R-free | 0.21353 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ubq |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.986 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.830 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.103 | |
| Number of reflections | 12779 | |
| <I/σ(I)> | 10.55 | |
| Completeness [%] | 99.4 | 99.04 |
| Redundancy | 4.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 100mM sodium acetate, 200mM lithium sulphate, 50% PEG400 |
