HETEROGEN The heme is disordered by a rotation of 180 degrees around the CHA-Fe-CHC axis, which is ...HETEROGEN The heme is disordered by a rotation of 180 degrees around the CHA-Fe-CHC axis, which is reflected in conformation A and conformation D of the ligand.
解像度: 1→36.47 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.963 / SU B: 0.514 / SU ML: 0.013 Isotropic thermal model: anisotropic; residues 32-35 isotropic due to lack of density 交差検証法: FREE R / σ(F): 0 / σ(I): 0 / ESU R: 0.026 / ESU R Free: 0.026 / 立体化学のターゲット値: Engh & Huber 詳細: Anisotropic refinment reduced Free R. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.154
4242
5.1 %
RANDOM
Rwork
0.139
-
-
-
all
0.14
83900
-
-
obs
0.14
83900
99.39 %
-
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK
原子変位パラメータ
Biso mean: 12.753 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.11 Å2
0 Å2
-0.13 Å2
2-
-
-0.18 Å2
0 Å2
3-
-
-
0.05 Å2
Refine analyze
Luzzati coordinate error obs: 0.28 Å / Luzzati d res low obs: 4 Å