4CRD

Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design

Refinement Statistics

Experimental method:X-RAY DIFFRACTION (2.1 Å)

Cell axes120.535120.535120.535
Cell angles90.0090.0090.00
SpacegroupI 2 3
Resolution limits85.38 - 2.10
the highest resolution shell value2.155 - 2.100
R-factor0.1922
R-work0.19057
the highest resolution shell value0.258
R-free0.22032
the highest resolution shell value0.279
RMSD bond length0.010
RMSD bond angle1.391

Data Collection Statistics

Resolution limits50.00 - 2.10
the highest resolution shell value -
Number of reflections17077
Rmerge_l_obs0.080
the highest resolution shell value0.510
Completeness99.5
Redundancy5.8
the highest resolution shell value4.3
I/sigma(I)2

Crystallization Conditions

crystal IDmethodpHpH rangetemperatureunit
18.5

Crystallization Reagents

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