3NUX
CDK6 (monomeric) in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E DW |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2009-10-20 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 4 |
| Unit cell lengths | 101.960, 101.960, 59.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.700 |
| Rwork | 0.243 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.6L) |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 5.780 | 2.700 |
| Rmerge | 0.074 | 0.031 | 0.511 |
| Total number of observations | 6255 | 6113 | |
| Number of reflections | 8514 | ||
| <I/σ(I)> | 13.3 | 39.2 | 2.4 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 7.22 | 7.02 | 7.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1M MES pH 6.0, 12% PEG3350, 0.1M NH4NO3 , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
