1PXO
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.1 |
Synchrotron site | SRS |
Beamline | PX14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.488 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.489, 71.987, 72.362 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.990 - 1.960 |
R-factor | 0.217 |
Rwork | 0.217 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hcl |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.070 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.059 | 0.165 |
Number of reflections | 20604 | |
<I/σ(I)> | 22.4 | 7.7 |
Completeness [%] | 99.4 | 99.9 |
Redundancy | 10.97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | PEG 6000, NA-HEPES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |