1P60
Structure of human dCK complexed with 2'-Deoxycytidine and ADP, Space group C 2 2 21
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 | 2001-12-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.714, 132.808, 157.565 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.960 |
| R-factor | 0.16491 |
| Rwork | 0.161 |
| R-free | 0.20300 * |
| Structure solution method | MAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.922 |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.000 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.045 * | 0.291 * |
| Total number of observations | 270973 * | |
| Number of reflections | 39237 * | |
| <I/σ(I)> | 23.7 | 3.3 |
| Completeness [%] | 97.4 * | 67.8 * |
| Redundancy | 6.9 |
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 298.0K |
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 |
