vitamin D 25-hydroxylase / vitamin metabolic process / response to cesium ion / calcitriol biosynthetic process from calciol / D3 vitamins binding / Vitamins / Defective CYP27B1 causes VDDR1B / organic acid metabolic process / vitamin D3 25-hydroxylase activity / Vitamin D (calciferol) metabolism ...vitamin D 25-hydroxylase / vitamin metabolic process / response to cesium ion / calcitriol biosynthetic process from calciol / D3 vitamins binding / Vitamins / Defective CYP27B1 causes VDDR1B / organic acid metabolic process / vitamin D3 25-hydroxylase activity / Vitamin D (calciferol) metabolism / vitamin D metabolic process / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen / response to ionizing radiation / steroid hydroxylase activity / xenobiotic metabolic process / iron ion binding / intracellular membrane-bounded organelle / heme binding / endoplasmic reticulum membrane / protein homodimerization activity / cytoplasm 類似検索 - 分子機能
解像度: 2.3→30 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.934 / WRfactor Rfree: 0.209 / WRfactor Rwork: 0.187 / SU B: 5.883 / SU ML: 0.142 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.217 / ESU R Free: 0.182 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2-HYDROXYPROPYL-BETA-CYCLODEXTRIN WAS ADDED TO THE PROTEIN SAMPLE. DUE TO LIMITED RESOLUTION OF THE ELECTRON DENSITY MAP AND LACK OF A ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2-HYDROXYPROPYL-BETA-CYCLODEXTRIN WAS ADDED TO THE PROTEIN SAMPLE. DUE TO LIMITED RESOLUTION OF THE ELECTRON DENSITY MAP AND LACK OF A PRECISE CHEMICAL DESCRIPTION OF THE ADDITIVE, IT WAS MODELED HERE AS BETA-CYCLODEXTRIN. 3. Programs coot, molprobity, sftools, prodrg have also been used in refinement.
Rfactor
反射数
%反射
Selection details
Rfree
0.231
2215
3.019 %
thin shells
Rwork
0.205
-
-
-
obs
0.206
73363
96.673 %
-
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 BULK SOLVENT
原子変位パラメータ
Biso mean: 37.917 Å2
Baniso -1
Baniso -2
Baniso -3
1-
3.72 Å2
0 Å2
0 Å2
2-
-
-2.344 Å2
0 Å2
3-
-
-
-1.376 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.3→30 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
7444
0
405
144
7993
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.015
0.022
8095
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
5414
X-RAY DIFFRACTION
r_angle_refined_deg
1.273
2.046
11082
X-RAY DIFFRACTION
r_angle_other_deg
1.056
3.001
13066
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.381
5
930
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.13
23.379
364
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.308
15
1212
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
22.598
15
42
X-RAY DIFFRACTION
r_chiral_restr
0.086
0.2
1202
X-RAY DIFFRACTION
r_gen_planes_refined
0.004
0.02
8784
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
1684
X-RAY DIFFRACTION
r_nbd_refined
0.196
0.2
1677
X-RAY DIFFRACTION
r_nbd_other
0.184
0.2
5363
X-RAY DIFFRACTION
r_nbtor_refined
0.18
0.2
3955
X-RAY DIFFRACTION
r_nbtor_other
0.088
0.2
3793
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.144
0.2
216
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.222
0.2
17
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.255
0.2
38
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.01
0.2
1
X-RAY DIFFRACTION
r_mcbond_it
1.458
2
4777
X-RAY DIFFRACTION
r_mcbond_other
0.277
2
1867
X-RAY DIFFRACTION
r_mcangle_it
2.337
3
7519
X-RAY DIFFRACTION
r_scbond_it
1.228
2
3823
X-RAY DIFFRACTION
r_scangle_it
1.817
3
3555
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20