6K2U
Crystal structure of Thr66 ADP-ribosylated ubiquitin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-01-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 101.525, 101.525, 101.525 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.403 - 2.554 |
R-factor | 0.2369 |
Rwork | 0.236 |
R-free | 0.24680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zqs |
Data reduction software | HKL-2000 (715.5) |
Data scaling software | SCALEPACK (715.5) |
Phasing software | PHENIX (1.14_3228) |
Refinement software | PHENIX (1.14_3228) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.550 | 6.920 | 2.550 |
Rmerge | 0.089 | 0.073 | 0.693 |
Rmeas | 0.099 | 0.082 | 0.775 |
Rpim | 0.043 | 0.037 | 0.336 |
Total number of observations | 30046 | ||
Number of reflections | 6182 | 351 | 298 |
<I/σ(I)> | 6.8 | ||
Completeness [%] | 98.8 | 91.6 | 100 |
Redundancy | 4.9 | 4.3 | 5.1 |
CC(1/2) | 0.994 | 0.801 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289 | 0.1M MMT (Malic Acid, MES and TRIS (1:2:2 Molar Ratio), pH 5.5 adjusted with HCl), 0.1M magnesium chloride, 0.1M zinc acetate 12% PEG8000 |