6C3H

The crystal structure of 4-n-heptylbenzoate-bound CYP199A4

Refinement Statistics

Experimental method:X-RAY DIFFRACTION (1.705 Å)

Cell axes44.53951.39278.538
Cell angles90.0092.6590.00
SpacegroupP 1 21 1
Resolution limits44.49 - 1.71
the highest resolution shell value1.751 - 1.705
R-factor0.1756
R-work0.17380
the highest resolution shell value0.268
R-free0.21110
the highest resolution shell value0.333
RMSD bond length0.012
RMSD bond angle1.336

Data Collection Statistics

Resolution limits44.49 - 1.71
the highest resolution shell value -
Number of reflections38417
Rmerge_l_obs0.142
the highest resolution shell value0.777
Completeness99.4
Redundancy4.1

Crystallization Conditions

crystal IDmethodpHpH rangetemperatureunit
1VAPOR DIFFUSION, HANGING DROP5.55.25-6.0289.15

Crystallization Reagents

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