1BI8
MECHANISM OF G1 CYCLIN DEPENDENT KINASE INHIBITION FROM THE STRUCTURES CDK6-P19INK4D INHIBITOR COMPLEX
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-01 |
| Detector | RIGAKU |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 96.860, 116.060, 131.490 |
| Unit cell angles | 90.00, 110.63, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.800 |
| R-factor | 0.255 |
| Rwork | 0.255 |
| R-free | 0.30800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | BNL-22910 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.050 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.8) |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.055 * | 0.320 * |
| Total number of observations | 88741 * | |
| Number of reflections | 33400 | |
| <I/σ(I)> | 14.5 | 4.1 |
| Completeness [%] | 96.9 | 91.3 |
| Redundancy | 2.65 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 * | 4 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 26 (%sat) | |
| 2 | 1 | reservoir | dioxane | 8-12 (%) | |
| 3 | 1 | reservoir | MES-Na | 100 (mM) | |
| 4 | 1 | reservoir | dithiothreitol | 5 (mM) |
