5DFL
Crystal structure of Ube2K~Ubiquitin conjugate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-08-24 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 146.324, 37.557, 61.001 |
Unit cell angles | 90.00, 90.43, 90.00 |
Refinement procedure
Resolution | 47.020 - 2.100 |
R-factor | 0.1972 |
Rwork | 0.195 |
R-free | 0.23480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1UBQ and 1YLA |
RMSD bond length | 0.010 |
RMSD bond angle | 1.319 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.29) |
Phasing software | PHASER (2.5.2) |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.020 | 47.020 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.173 | 0.031 | 1.692 |
Rpim | 0.067 | 0.013 | 0.652 |
Total number of observations | 146692 | 1756 | 11885 |
Number of reflections | 19503 | ||
<I/σ(I)> | 10.8 | 44.8 | 1.5 |
Completeness [%] | 99.2 | 99.2 | 98.3 |
Redundancy | 7.5 | 6.1 | 7.7 |
CC(1/2) | 0.997 | 0.999 | 0.617 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M di-ammonium citrate pH 5.0, 20% PEG 3350 |