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) |