4GCJ
CDK2 in complex with inhibitor RC-3-89
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2010-04-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.320, 70.740, 71.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.760 - 1.420 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pw2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS (1.2) |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.500 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.060 | 0.371 |
| Number of reflections | 53895 | |
| <I/σ(I)> | 20.04 | 5.18 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.96 | 6.93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM sodium/potassium phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
