5BNJ

CDK8/CYCC IN COMPLEX WITH 8-{3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-pyridin- 4-yl}-2,8-diaza-spiro[4.5]decan-1-one

Refinement Statistics

Experimental method:X-RAY DIFFRACTION (2.64 Å)

Cell axes70.78771.489172.532
Cell angles90.0090.0090.00
SpacegroupP 21 21 21
Resolution limits86.27 - 2.64
the highest resolution shell value2.709 - 2.640
R-factor0.2277
R-work0.22610
the highest resolution shell value0.360
R-free0.27340
the highest resolution shell value0.414
RMSD bond length0.009
RMSD bond angle1.082

Data Collection Statistics

Resolution limits86.27 - 2.64
the highest resolution shell value -
Number of reflections25877
Rmerge_l_obs0.081
the highest resolution shell value0.523
Completeness97.8
Redundancy4.2
the highest resolution shell value4.1
I/sigma(I)0

Crystallization Conditions

crystal IDmethodpHpH rangetemperatureunit
1VAPOR DIFFUSION6.9293

Crystallization Reagents

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