- PDB-3qr0: Crystal Structure of S. officinalis PLC21 -
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基本情報
登録情報
データベース: PDB / ID: 3qr0
タイトル
Crystal Structure of S. officinalis PLC21
要素
phospholipase C-beta (PLC-beta)
キーワード
HYDROLASE / PH domain / EF hand / C2 domain / TIM barrel domain / phospholipase / calcium binding / phospholipid binding
機能・相同性
機能・相同性情報
phosphoinositide phospholipase C / phosphatidylinositol phospholipase C activity / lipid catabolic process / intracellular signal transduction / calcium ion binding 類似検索 - 分子機能
解像度: 2→27.36 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.946 / Occupancy max: 1 / Occupancy min: 0.3 / SU B: 7.673 / SU ML: 0.098 / SU R Cruickshank DPI: 0.1882 / 交差検証法: THROUGHOUT / ESU R: 0.188 / ESU R Free: 0.156 / 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
0.20819
2826
5 %
RANDOM
Rwork
0.17589
-
-
-
obs
0.17754
53335
92.3 %
-
all
-
70063
-
-
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: MASK
原子変位パラメータ
Biso mean: 30.916 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0 Å2
0 Å2
0 Å2
2-
-
0 Å2
0 Å2
3-
-
-
0 Å2
精密化ステップ
サイクル: LAST / 解像度: 2→27.36 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
6275
0
55
452
6782
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.006
0.022
6509
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.02
4534
X-RAY DIFFRACTION
r_angle_refined_deg
0.946
1.973
8775
X-RAY DIFFRACTION
r_angle_other_deg
0.743
3
11107
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
5.422
5
790
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.128
24.966
296
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.666
15
1197
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
14.032
15
25
X-RAY DIFFRACTION
r_chiral_restr
0.057
0.2
949
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.021
7115
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
1265
X-RAY DIFFRACTION
r_nbd_refined
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
X-RAY DIFFRACTION
r_xyhbond_nbd_other
X-RAY DIFFRACTION
r_metal_ion_refined
X-RAY DIFFRACTION
r_metal_ion_other
X-RAY DIFFRACTION
r_symmetry_vdw_refined
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
X-RAY DIFFRACTION
r_symmetry_hbond_other
X-RAY DIFFRACTION
r_symmetry_metal_ion_refined
X-RAY DIFFRACTION
r_symmetry_metal_ion_other
X-RAY DIFFRACTION
r_mcbond_it
0.373
1.5
3929
X-RAY DIFFRACTION
r_mcbond_other
0.065
1.5
1582
X-RAY DIFFRACTION
r_mcangle_it
0.732
2
6353
X-RAY DIFFRACTION
r_scbond_it
1.144
3
2580
X-RAY DIFFRACTION
r_scangle_it
1.892
4.5
2422
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
LS精密化 シェル
解像度: 2→2.052 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.227
185
-
Rwork
0.211
3624
-
obs
-
-
86.33 %
精密化 TLS
手法: refined / Origin x: 2.1121 Å / Origin y: -5.1542 Å / Origin z: -19.402 Å