1H1R
Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6086
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 | 74.110, 134.950, 148.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.235 |
| R-free | 0.29400 |
| 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 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.075 | 0.522 |
| Total number of observations | 251715 * | |
| Number of reflections | 101035 | |
| <I/σ(I)> | 6.7 | 1.4 |
| Completeness [%] | 93.9 | 75.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | The reservoir solution contained 0.8 M KCl and 1.2 M (NH4)2SO4 in 40 mM HEPES, pH 7.0, and 5 mM dithiothreitol (DTT) |
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) |
