6QHK
PAO-linked dimer of the catalytic domain of the human ubiquitin-conjugating enzyme UBE2S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-23 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.968 |
Spacegroup name | P 65 |
Unit cell lengths | 83.150, 83.150, 83.125 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.417 - 1.960 |
R-factor | 0.1909 |
Rwork | 0.189 |
R-free | 0.22310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zdn |
RMSD bond length | 0.003 |
RMSD bond angle | 0.699 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11_2567: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.417 | 2.030 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.023 | 0.281 |
Rmeas | 0.033 | 0.397 |
Rpim | 0.023 | 0.281 |
Number of reflections | 23393 | 2317 |
<I/σ(I)> | 20.05 | 2.64 |
Completeness [%] | 99.7 | 99.44 |
Redundancy | 2 | 2 |
CC(1/2) | 0.999 | 0.787 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 1 mM TCEP, 11.74 mg/ml PAO, 0.2 M magnesium chloride, 0.1 M Tris pH 8.5, 30% PEG 4000 |