5OSJ
Cdk2(WT) with covalent adduct at C177
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-02-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.916, 71.111, 72.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.300 - 1.830 |
| R-factor | 0.17625 |
| Rwork | 0.174 |
| R-free | 0.22198 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ek3 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.920 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.680 | 1.870 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.028 | 0.245 |
| Number of reflections | 25118 | 1500 |
| <I/σ(I)> | 16.5 | 3.3 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 15% w/v Jeffamine ED-2003, 50 mM HEPES, 50 mM sodium/potassium phosphate |
