2J9M
Crystal Structure of CDK2 in complex with Macrocyclic Aminopyrimidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | BRUKER |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.936, 69.934, 71.687 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.219 |
| Rwork | 0.210 |
| R-free | 0.29400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dm2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.413 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.690 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.040 | 0.190 |
| Number of reflections | 138956 | |
| <I/σ(I)> | 21.65 | 5.35 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 14.31 | 11.97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | pH 7.8 |
