解像度: 2.795→19.32 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.771 / SU ML: 0.48 / σ(F): 1.35 / 位相誤差: 28.8 / 立体化学のターゲット値: ML 詳細: THE LIGAND N5G IN THIS ENTRY IS N5-IMINIUM PHOSPHATE. HOWEVER, THERE IS SOME DISCREPANCY IN THE GEOMETRY. THE GEOMETRY FOR N5G IS SUGGESTED BY THE REFINEMENT. THE CO-ORDINATES FIT WELL IN THE ...詳細: THE LIGAND N5G IN THIS ENTRY IS N5-IMINIUM PHOSPHATE. HOWEVER, THERE IS SOME DISCREPANCY IN THE GEOMETRY. THE GEOMETRY FOR N5G IS SUGGESTED BY THE REFINEMENT. THE CO-ORDINATES FIT WELL IN THE ELECTRON DENSITY MAP. THE MAP WAS GENERATED USING A DATASET COLLECTED AT 2.8 ANGSTROM RESOLUTION. THE DENSITY FOR THE LIGAND IS UNAMBIGUOUS AND THEREFORE THE GEOMETRIES ARE CORRECT AND ARE AS THEY WOULD BE IN A BIOLOGICAL MOLECULE, WHERE THE MICRO ENVIRONMENT HAS A PROFOUND INFLUENCE ON THE GEOMETRIES OF THE LIGAND.
Rfactor
反射数
%反射
Rfree
0.2997
242
4.46 %
Rwork
0.2259
5184
-
obs
0.2292
5426
99.18 %
all
-
6105
-
溶媒の処理
減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 32.489 Å2 / ksol: 0.368 e/Å3