1P61
Structure of human dCK complexed with 2'-Deoxycytidine and ADP, P 43 21 2 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-D |
Synchrotron site | APS |
Beamline | 14-BM-D |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2001-03-21 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9552 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 80.001, 80.001, 93.946 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.200 * |
R-factor | 0.22733 |
Rwork | 0.222 |
R-free | 0.28000 * |
Structure solution method | MAD |
RMSD bond length | 0.021 |
RMSD bond angle | 1.885 |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.064 * | 0.156 * |
Total number of observations | 219344 * | |
Number of reflections | 15406 * | |
<I/σ(I)> | 28.2 | 7.5 |
Completeness [%] | 95.9 * | 78.2 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 20 * | 0.95-1.0M citrate trisodium dihydrate, 100mM Hepes, 5mM deoxycytidine, 5mM ADP, 5mM MgCl2, 5mM DTT, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 12 (mg/ml) | |
2 | 1 | drop | 5 (mM) | ||
3 | 1 | drop | HEPES | 20 (mM) | pH7.5 |
4 | 1 | drop | dithiothreitol | 5 (mM) | |
5 | 1 | drop | deoxycytidine | 100000 (nM) | |
6 | 1 | reservoir | trisodium citrate dihydrate | 0.95-1.0 (M) | |
7 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |