1E9H
Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Collection date | 2000-04-15 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.801, 133.804, 150.436 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.000 - 2.500 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | UNPUBLISHED STRUCTURE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.459 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.103 * | 0.388 * |
| Total number of observations | 143005 * | |
| Number of reflections | 47127 | |
| <I/σ(I)> | 4.1 | 1.9 |
| Completeness [%] | 90.1 | 63.8 * |
| Redundancy | 3 | 2.3 |
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) | |
| 10 | 1 | reservoir | dithiothreitol | 5 (mM) | |
| 2 | 1 | drop | HEPES | 40 (mM) | |
| 3 | 1 | drop | dithiothreitol | 1 (mM) | |
| 4 | 1 | drop | 200 (mM) | ||
| 5 | 1 | drop | DMSO | 5 (%(v/v)) | |
| 6 | 1 | drop | indirubin-5-sulphonate | 5 (mM) | |
| 7 | 1 | reservoir | 0.8 (M) | ||
| 8 | 1 | reservoir | ammonium sulfate | 1.2 (M) | |
| 9 | 1 | reservoir | HEPES | 40 (mM) |
