5OO0
Cdk2(WT) covalent adduct with D28 at C177
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-05-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.513, 71.024, 72.152 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.000 - 1.600 |
| R-factor | 0.17299 |
| Rwork | 0.172 |
| R-free | 0.20035 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ek3 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.437 |
| 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] | 50.620 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.018 | 0.071 |
| Number of reflections | 36568 | 1749 |
| <I/σ(I)> | 21.2 | 7.5 |
| Completeness [%] | 99.2 | 98 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 15% w/v Jeffamine ED-2003, 50 mM HEPES, 50 mM sodium/potassium phosphate |
