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. |
