1W8C

CO-CRYSTAL STRUCTURE OF 6-CYCLOHEXYLMETHOXY-8-ISOPROPYL-9H-PURIN-2- YLAMINE AND MONOMERIC CDK2

Refinement Statistics

Experimental method:X-RAY DIFFRACTION (2.05 Å)

Cell axes53.50571.93572.091
Cell angles90.0090.0090.00
SpacegroupP 21 21 21
Resolution limits50.64 - 2.05
the highest resolution shell value2.100 - 2.050
R-factor0.199
R-work0.19600
the highest resolution shell value0.217
R-free0.25600
the highest resolution shell value0.300
RMSD bond length0.014
RMSD bond angle1.504

Data Collection Statistics

Resolution limits25.16 - 2.05
the highest resolution shell value -
Number of reflections17480
Rmerge_l_obs0.040
the highest resolution shell value0.100
Completeness97.3
Redundancy3.9
the highest resolution shell value3.9
I/sigma(I)2

Crystallization Conditions

crystal IDmethodpHpH rangetemperatureunit
1VAPOR DIFFUSION7.4

Crystallization Reagents

IDcrystal IDsolution IDreagent nameconcentrationdetails
Crystallization Reagents in Literatures*
IDcrystal IDsolutionreagent nameconcentration (unit)details
Annotated Information is extracted from Literature Info*