3H1U
Structure of ubiquitin in complex with Cd ions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-11 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 43 3 2 |
Unit cell lengths | 105.231, 105.231, 105.231 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 3.000 |
R-factor | 0.222 |
Rwork | 0.222 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ubq |
RMSD bond length | 0.006 |
RMSD bond angle | 1.440 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.160 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.069 | 0.567 |
Number of reflections | 4367 | |
<I/σ(I)> | 35.7 | 5.8 |
Completeness [%] | 99.9 | 100 |
Redundancy | 21.1 | 22.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 291.15 | 100mM HEPES pH 7.5, 50mm Cadmium sulfate, 1.0M Sodium citrate, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K |