8F1F
Structure of K48-linked tri-ubiquitin in complex with cyclic peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 83.211, 26.963, 110.466 |
Unit cell angles | 90.00, 99.85, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.850 |
R-factor | 0.23137 |
Rwork | 0.228 |
R-free | 0.29813 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ubq monomer A |
RMSD bond length | 0.020 |
RMSD bond angle | 2.107 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmeas | 0.113 | 0.493 |
Rpim | 0.061 | 0.263 |
Number of reflections | 39731 | 2070 |
<I/σ(I)> | 17.3 | |
Completeness [%] | 93.8 | 98.9 |
Redundancy | 3.1 | 3.2 |
CC(1/2) | 0.987 | 0.907 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Droplets were formed by mixing equal volumes of Ub3:Ub4a complex (8 mg/ml) and the crystallization solution containing 0.15 M NaCl, 23% (w/v) PEG 3350 and 0.1 M HEPES (pH 7.5) |