5OO3
Cdk2(F80C, C177A) with covalent ligand at F80C
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 | 2017-07-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.110, 70.970, 72.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.670 - 1.730 |
| R-factor | 0.18729 |
| Rwork | 0.184 |
| R-free | 0.24910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ek3 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.891 |
| 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] | 36.670 | 1.760 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.085 | 1.659 |
| Number of reflections | 29150 | 1424 |
| <I/σ(I)> | 13.82 | 1.07 |
| Completeness [%] | 99.7 | 99.86 |
| Redundancy | 7.19 | 7.4 |
| CC(1/2) | 0.999 | 0.561 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 9 - 15% w/v, 50 mM HEPES, 50 mM sodium/potassium phosphate |
