2BHH
HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 4-HYDROXYPIPERINDINESULFONYL-INDIRUBINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | BRUKER AXS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.679, 69.526, 71.168 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.600 |
| Rwork | 0.244 |
| R-free | 0.32520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dm2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.704 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | AMoRE |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.680 | 2.700 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmerge | 0.050 | 0.240 |
| Number of reflections | 75068 | |
| <I/σ(I)> | 18.35 | 4.2 |
| Completeness [%] | 99.6 | 97.3 |
| Redundancy | 8.75 | 7.15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | 100MM HEPES AT PH 7.8, 10% PEG3350 AND 0.1M NAAC |
