1H1S
Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6102
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.230, 135.350, 148.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.236 |
| R-free | 0.28600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.079 | 0.289 |
| Total number of observations | 101670 * | |
| Number of reflections | 21174 * | |
| <I/σ(I)> | 5.2 | 2.5 |
| Completeness [%] | 94.5 | 61.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | pH 7.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | DMSO | 5 (%(v/v)) | |
| 3 | 1 | drop | inhibitor | 5 (mM) | |
| 4 | 1 | reservoir | 0.8 (M) | ||
| 5 | 1 | reservoir | ammonium sulfate | 1.2 (M) | |
| 6 | 1 | reservoir | HEPES | 40 (mM) | pH7.0 |
| 7 | 1 | reservoir | dithiothreitol | 5 (mM) |
