4D1Z
CDK2 in complex with a Luciferin derivate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.830, 72.400, 73.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.227 - 1.851 |
| R-factor | 0.1949 |
| Rwork | 0.193 |
| R-free | 0.22540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r3r |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.220 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.050 | 0.380 |
| Number of reflections | 24735 | |
| <I/σ(I)> | 15.9 | 3.4 |
| Completeness [%] | 99.0 | 96.7 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0 MM HEPES, 20 MM NACL, PH 7.4 |
