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 |