4II3
Crystal structure of S. pombe Ubiquitin activating enzyme 1 (Uba1) in complex with ubiquitin and ATP/Mg
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 108 |
Detector technology | CCD |
Collection date | 2012-04-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 180.500, 113.300, 126.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.900 |
R-factor | 0.2392 |
Rwork | 0.239 |
R-free | 0.28290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cmm |
RMSD bond length | 0.005 |
RMSD bond angle | 0.966 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
High resolution limit [Å] | 2.900 | 6.240 | 2.900 |
Rmerge | 0.113 | 0.050 | 0.397 |
Number of reflections | 55035 | ||
<I/σ(I)> | 8.1 | ||
Completeness [%] | 95.2 | 98.6 | 89.4 |
Redundancy | 3.4 | 4.3 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.1M Sodium Cacodylate, 0.2M Calcium Acetate, 11.5% Peg8000, 3% 1,5 diaminopentane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |