3U87
Structure of a chimeric construct of human CK2alpha and human CK2alpha' in complex with a non-hydrolysable ATP-analogue
Replaces: 3RP0Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 127.821, 127.821, 125.333 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.655 - 2.900 |
R-factor | 0.1873 |
Rwork | 0.186 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nga |
RMSD bond length | 0.006 |
RMSD bond angle | 0.641 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.000 | 2.920 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.097 | |
Number of reflections | 24724 | |
<I/σ(I)> | 17.3 | 2.43 |
Completeness [%] | 99.3 | 99.7 |
Redundancy | 8.03 | 8.26 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | reservoir: 15% polyethylene glycol 8000, 15% glycerol, 0.17 M ammonium sulfate, 0.1 M sodium cacodylate buffer; drop: 0.8 uL reservoir solution, 0.8 uL protein solution (12.6 mg/ml), 0.5 uL 10% anapoe 305 (detergent), 1.5 uL 5 mM AMPPNP, 1.5 uL 10 mM magnesium chloride, 1.5 uL CK2 substrate peptide (sequence RRRADDSDDDDD), pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |