1PXK
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyiminoformamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-01-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.744, 71.948, 70.525 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.830 - 2.800 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hcl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 22.900 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.980 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.089 | 0.597 |
| Total number of observations | 20559 * | |
| Number of reflections | 6931 | |
| <I/σ(I)> | 7.8 | 1.1 |
| Completeness [%] | 99.3 | 99.3 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | PEG 6000, NA-HEPES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7-8 (mg/ml) | |
| 2 | 1 | reservoir | PEG6000 | 15 (%) | |
| 3 | 1 | reservoir | sodium HEPES | 100 (mM) | pH7.8-8.2 |
