8T0S
Crystal structure of UBE2G2 adduct with phenethyl isothiocyanate (PEITC) at the Cys48 position
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 | CCD |
Collection date | 2017-03-17 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.894, 59.345, 67.901 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.700 - 1.950 |
R-factor | 0.1763 |
Rwork | 0.174 |
R-free | 0.20820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.910 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.020 |
High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
Rmerge | 0.101 | 0.080 | 0.880 |
Rmeas | 0.109 | 0.087 | 0.952 |
Rpim | 0.041 | 0.033 | 0.357 |
Total number of observations | 106223 | ||
Number of reflections | 14738 | 1586 | 1461 |
<I/σ(I)> | 12.5 | ||
Completeness [%] | 99.9 | 99 | 99.9 |
Redundancy | 7.2 | 6.8 | 7.1 |
CC(1/2) | 0.997 | 0.993 | 0.812 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEG MME 5000, NaCl, etc. |