3EFU
X-ray structure of human ubiquitin-Hg(II) adduct
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-21 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.2 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 28.024, 42.828, 50.374 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.490 - 1.840 |
R-factor | 0.235 |
Rwork | 0.235 |
R-free | 0.29300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ubq |
RMSD bond length | 0.005 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.500 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.074 | 0.162 |
Number of reflections | 5459 | |
<I/σ(I)> | 32.5 | 15 |
Completeness [%] | 93.7 | 58.8 |
Redundancy | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 25% PEG 1450, 50mM HEPES, 2.92mM mercurium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |