2A7Q
Crystal structure of human dCK complexed with clofarabine and ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 80.145, 80.145, 93.669 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.490 - 2.550 |
| R-factor | 0.216 |
| Rwork | 0.213 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p61 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 500.000 | 2.640 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Number of reflections | 9726 | |
| <I/σ(I)> | 35.2 | 6.4 |
| Completeness [%] | 92.3 | 54.6 |
| Redundancy | 6.3 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | sodium citrate, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
