ジャーナル: J.Biol.Inorg.Chem. / 年: 2009 タイトル: Insight into the protein and solvent contributions to the reduction potentials of [4Fe-4S]2+/+ clusters: crystal structures of the Allochromatium vinosum ferredoxin variants C57A and ...タイトル: Insight into the protein and solvent contributions to the reduction potentials of [4Fe-4S]2+/+ clusters: crystal structures of the Allochromatium vinosum ferredoxin variants C57A and V13G and the homologous Escherichia coli ferredoxin. 著者: Saridakis, E. / Giastas, P. / Efthymiou, G. / Thoma, V. / Moulis, J.M. / Kyritsis, P. / Mavridis, I.M.
解像度: 1.05→14 Å / Num. parameters: 8225 / Num. restraintsaints: 9285 / 交差検証法: FREE R / σ(F): 0 / 立体化学のターゲット値: ENGH AND HUBER 詳細: ANISOTROPIC REFINEMENT REDUCED FREE R (NO CUTOFF). THE MISSING R-WORK VALUE IS DUE TO THE FACT THAT THE DATA OF THE REFERENCE AND WORKING SETS WERE MERGED IN THE LAST 6 CYCLES OF SHELX ...詳細: ANISOTROPIC REFINEMENT REDUCED FREE R (NO CUTOFF). THE MISSING R-WORK VALUE IS DUE TO THE FACT THAT THE DATA OF THE REFERENCE AND WORKING SETS WERE MERGED IN THE LAST 6 CYCLES OF SHELX REFINEMENT, SO THERE IS ONLY ONE FINAL R (R = 0.1028 FOR FO>4SIG(FO) AND 0.1159 FOR ALL DATA).
Rfactor
反射数
Selection details
all
0.116
54527
-
obs
0.103
41185
-
Rfree
-
-
RANDOM
Refine analyze
Num. disordered residues: 10 / Occupancy sum hydrogen: 0 / Occupancy sum non hydrogen: 812.97