8OY2
Human cyclin-dependent kinase 2 in complex with inhibitor HB-29260
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-07 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.360, 72.685, 72.959 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.490 - 2.618 |
R-factor | 0.22304 |
Rwork | 0.220 |
R-free | 0.28261 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.511 |
Data reduction software | autoPROC |
Data scaling software | autoPROC ((Version 1.1.7)) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.490 | 2.660 |
High resolution limit [Å] | 2.618 | 2.618 |
Rmerge | 0.120 | 0.590 |
Rmeas | 0.130 | 0.740 |
Rpim | 0.060 | 0.440 |
Number of reflections | 8294 | 316 |
<I/σ(I)> | 8.8 | 1.3 |
Completeness [%] | 90.6 | 70.7 |
Redundancy | 4.3 | |
CC(1/2) | 0.990 | 0.739 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 277 | MES pH7.0, PEG3350, ammonium acetate |