3G46

Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloroform bound to the XE4 cavity

Refinement Statistics

Experimental method:X-RAY DIFFRACTION (0.91 Å)

Cell axes92.53643.48782.853
Cell angles90.00122.2590.00
SpacegroupC 1 2 1
Resolution limits46.30 - 0.91
the highest resolution shell value -
R-factor0.1288
R-work0.12880
R-free0.15550
RMSD bond length0.007
RMSD bond angle0.022

Data Collection Statistics

Resolution limits46.30 - 0.91
the highest resolution shell value -
Number of reflections160199
Rmerge_l_obs0.075
the highest resolution shell value0.189
Completeness77.9
Redundancy4
the highest resolution shell value2.1
I/sigma(I)0

Crystallization Conditions

crystal IDmethodpHpH rangetemperatureunit
1MICROBATCH7.5296

Crystallization Reagents

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