3EEC
X-ray structure of human ubiquitin Cd(II) adduct
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-09 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.931 |
Spacegroup name | P 43 3 2 |
Unit cell lengths | 105.253, 105.253, 105.253 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.430 - 3.000 |
R-factor | 0.279 |
Rwork | 0.279 |
R-free | 0.30000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ubq |
RMSD bond length | 0.012 |
RMSD bond angle | 1.900 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.430 | 3.100 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.084 | |
Number of reflections | 4357 | |
<I/σ(I)> | 76.5 | 10 |
Completeness [%] | 100.0 | 100 |
Redundancy | 80 | 50 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 25% (w/v) PEG 1450, 50mM HEPES pH 7.0, 200mM cadmium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |