2G9X
Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor NU6271
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-16 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.580, 134.986, 148.513 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.200 - 2.500 |
| R-factor | 0.219 |
| Rwork | 0.217 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h1r |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.190 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.200 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.113 | 0.432 |
| Number of reflections | 46238 | |
| <I/σ(I)> | 9.3 | 1.7 |
| Completeness [%] | 93.0 | 93.1 |
| Redundancy | 2.4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | ammonium sulphate, potassium chloride, Hepes, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 7.00 |
