porphyrin-containing compound catabolic process / uroporphyrinogen decarboxylase / uroporphyrinogen decarboxylase activity / porphyrin-containing compound metabolic process / heme B biosynthetic process / heme O biosynthetic process / heme A biosynthetic process / protoporphyrinogen IX biosynthetic process / Heme biosynthesis / heme biosynthetic process ...porphyrin-containing compound catabolic process / uroporphyrinogen decarboxylase / uroporphyrinogen decarboxylase activity / porphyrin-containing compound metabolic process / heme B biosynthetic process / heme O biosynthetic process / heme A biosynthetic process / protoporphyrinogen IX biosynthetic process / Heme biosynthesis / heme biosynthetic process / nucleoplasm / cytosol 類似検索 - 分子機能
温度: 294 K / 手法: liquid diffusion / pH: 6.5 詳細: Crystallization of URO-D in complex with coproporphyrinogen required crystallization in an anaerobic chamber with PBG and PBG-D added to the solution for the generation of uroporphyrinogen in- ...詳細: Crystallization of URO-D in complex with coproporphyrinogen required crystallization in an anaerobic chamber with PBG and PBG-D added to the solution for the generation of uroporphyrinogen in-situ. URO-D was active under these conditions, creating coproporphyrinogen. 1.5 M citrate, pH 6.5, LIQUID DIFFUSION, temperature 294K
解像度: 1.7→87.71 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.959 / SU B: 1.724 / SU ML: 0.058 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.086 / ESU R Free: 0.085 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.19248
1245
2.5 %
RANDOM
Rwork
0.16684
-
-
-
all
0.16749
50593
-
-
obs
0.16749
48908
99.54 %
-
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: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK
原子変位パラメータ
Biso mean: 25.44 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.27 Å2
-0.63 Å2
0 Å2
2-
-
-1.27 Å2
0 Å2
3-
-
-
1.9 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.7→87.71 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
2802
0
51
326
3179
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.016
0.021
3012
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
2762
X-RAY DIFFRACTION
r_angle_refined_deg
1.633
1.98
4106
X-RAY DIFFRACTION
r_angle_other_deg
0.884
3
6405
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.412
5
372
X-RAY DIFFRACTION
r_chiral_restr
0.096
0.2
432
X-RAY DIFFRACTION
r_gen_planes_refined
0.009
0.02
3414
X-RAY DIFFRACTION
r_gen_planes_other
0.008
0.02
633
X-RAY DIFFRACTION
r_nbd_refined
0.221
0.2
680
X-RAY DIFFRACTION
r_nbd_other
0.242
0.2
3279
X-RAY DIFFRACTION
r_nbtor_other
0.087
0.2
1750
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.191
0.2
241
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.195
0.2
14
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.337
0.2
51
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.136
0.2
24
X-RAY DIFFRACTION
r_mcbond_it
1.042
1.5
1833
X-RAY DIFFRACTION
r_mcangle_it
1.911
2
2952
X-RAY DIFFRACTION
r_scbond_it
2.976
3
1179
X-RAY DIFFRACTION
r_scangle_it
5
4.5
1154
LS精密化 シェル
解像度: 1.7→1.792 Å / Total num. of bins used: 10 /
Rfactor
反射数
Rfree
0.275
166
Rwork
0.217
7098
ソフトウェア
*PLUS
バージョン: 5.1 / 分類: refinement
精密化
*PLUS
最高解像度: 1.7 Å / 最低解像度: 30 Å / Rfactor Rfree: 0.192 / Rfactor Rwork: 0.167