4CRB

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

Refinement Statistics

Experimental method:X-RAY DIFFRACTION (1.85 Å)

Cell axes120.990120.990120.990
Cell angles90.0090.0090.00
SpacegroupI 2 3
Resolution limits42.70 - 1.85
the highest resolution shell value -
R-factor0.191
R-work0.19000
R-free0.21300

Data Collection Statistics

Resolution limits50.00 - 1.85
the highest resolution shell value -
Number of reflections25023
Rmerge_l_obs0.080
the highest resolution shell value0.630
Completeness99.5
Redundancy5.1
the highest resolution shell value5.1
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*