5FP6
Structure of cyclin-dependent kinase 2 with small-molecule ligand 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol (AT17833) in an alternate binding site.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2007-12-12 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.917, 72.214, 72.198 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.290 - 1.850 |
| R-factor | 0.2086 |
| Rwork | 0.207 |
| R-free | 0.24030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fp5 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.650 |
| Data reduction software | d*TREK (9.7) |
| Data scaling software | DTSCALE |
| Phasing software | CSEARCH |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.300 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.040 | 0.220 |
| Number of reflections | 24694 | |
| <I/σ(I)> | 13.2 | 2 |
| Completeness [%] | 94.3 | 63.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | PROTEIN CONCENTRATION: 13.6 MG/ML, pH 7.4 |
