Table_1.xls (9.5 kB)
Data collection, phasing and refinement statistics (PDB ID 3pxp).
dataset
posted on 2012-07-26, 00:57 authored by Qingping Xu, Gilles P. van Wezel, Hsiu-Ju Chiu, Lukasz Jaroszewski, Heath E. Klock, Mark W. Knuth, Mitchell D. Miller, Scott A. Lesley, Adam Godzik, Marc-André Elsliger, Ashley M. Deacon, Ian A. Wilsona
Highest resolution shell in parentheses.
bB-values for protein, solvent, and ligand are listed in parentheses.
ESU = Estimated Standard Uncertainty in atomic coordinates.
Rmerge = ΣhklΣi|Ii(hkl)-|/ΣhklΣiIi(hkl).
Rmeas (redundancy-independent Rmerge) = Σhkl[Nhkl/(Nhkl-1)]1/2Σi|Ii(hkl)-|/ΣhklΣiIi(hkl).
Rpim (precision-indicating Rmerge) = Σhkl[1/(Nhkl-1)]1/2Σi|Ii(hkl)-|/ΣhklΣiIi(hkl).
Rcryst = Σhkl||Fobs|-|Fcalc||/Σhkl|Fobs| where Fcalc and Fobs are the calculated and observed structure factor amplitudes, respectively.
Rfree = as for Rcryst, but for 5.0% of the total reflections chosen at random and omitted from refinement.
