- PDB-6oe2: X-Ray Structure of the C-terminal domain (277-440) of Putative ch... -
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基本情報
登録情報
データベース: PDB / ID: 6oe2
タイトル
X-Ray Structure of the C-terminal domain (277-440) of Putative chitobiase from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium Target BtR324A. Re-refinement of 3GGL with correct metal Mn replacing Zn. New metal confirmed with PIXE analysis of original sample.
protein O-GlcNAcase / : / : / [protein]-3-O-(N-acetyl-D-glucosaminyl)-L-serine/L-threonine O-N-acetyl-alpha-D-glucosaminase activity / metabolic process / metal ion binding 類似検索 - 分子機能
Domain of unknown function DUF1735 / BT_3987-like, N-terminal domain / Coagulation factors 5/8 type C domain (FA58C) profile. / F5/8 type C domain / Coagulation factor 5/8 C-terminal domain / Galactose-binding domain-like / Galactose-binding-like domain superfamily / Prokaryotic membrane lipoprotein lipid attachment site profile. / Jelly Rolls / Sandwich / Mainly Beta 類似検索 - ドメイン・相同性
解像度: 3→19.99 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.927 / SU B: 42.275 / SU ML: 0.322 / 交差検証法: THROUGHOUT / ESU R Free: 0.401 / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.23661
414
9 %
RANDOM
Rwork
0.17368
-
-
-
obs
0.17916
4201
99.38 %
-
溶媒の処理
イオンプローブ半径: 0.9 Å / 減衰半径: 0.9 Å / VDWプローブ半径: 1.1 Å
原子変位パラメータ
Biso mean: 87.607 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.38 Å2
0.19 Å2
0 Å2
2-
-
0.38 Å2
0 Å2
3-
-
-
-1.25 Å2
精密化ステップ
サイクル: LAST / 解像度: 3→19.99 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1243
0
8
1
1252
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.008
0.013
1274
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.017
1169
X-RAY DIFFRACTION
r_angle_refined_deg
1.695
1.641
1725
X-RAY DIFFRACTION
r_angle_other_deg
1.271
1.58
2718
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
11.069
5
160
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.989
23.75
64
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
19.426
15
208
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
13.91
15
6
X-RAY DIFFRACTION
r_chiral_restr
0.071
0.2
172
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
1434
X-RAY DIFFRACTION
r_gen_planes_other
0.002
0.02
260
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
2.377
5.47
643
X-RAY DIFFRACTION
r_mcbond_other
2.374
5.471
642
X-RAY DIFFRACTION
r_mcangle_it
3.701
8.212
802
X-RAY DIFFRACTION
r_mcangle_other
3.701
8.213
803
X-RAY DIFFRACTION
r_scbond_it
2.454
5.758
630
X-RAY DIFFRACTION
r_scbond_other
2.453
5.765
631
X-RAY DIFFRACTION
r_scangle_it
X-RAY DIFFRACTION
r_scangle_other
3.92
8.534
924
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: 3→3.078 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.31
28
-
Rwork
0.221
298
-
obs
-
-
99.09 %
精密化 TLS
手法: refined / Origin x: -30.74 Å / Origin y: -13.65 Å / Origin z: -5.493 Å