3NUP
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 | 2009-10-10 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 4 |
| Unit cell lengths | 101.778, 101.778, 59.296 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.960 - 2.600 |
| Rwork | 0.238 |
| R-free | 0.26430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CDK6 |
| 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] | 19.960 | 19.960 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.350 | 2.500 |
| Rmerge | 0.070 | 0.033 | 0.538 |
| Total number of observations | 7758 | 7107 | |
| Number of reflections | 10549 | ||
| <I/σ(I)> | 13.3 | 42.1 | 2.5 |
| Completeness [%] | 99.5 | 98.3 | 99.1 |
| Redundancy | 7.05 | 7.02 | 6.78 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6 | 298 | 0.1M MES pH 6.0, 12% PEG3350, 0.1M NH4NO3, EVAPORATION, temperature 298K |
