- PDB-7pq3: Crystal Structure of the Ring Nuclease 0811 from Sulfolobus islan... -
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基本情報
登録情報
データベース: PDB / ID: 7pq3
タイトル
Crystal Structure of the Ring Nuclease 0811 from Sulfolobus islandicus (Sis0811) in complex with its post-catalytic reaction product
要素
CRISPR-associated protein, APE2256 family
キーワード
ANTIVIRAL PROTEIN / RING NUCLEASE / CRISPR-ASSOCIATED PROTEIN / HELIX-TURN-HELIX (ヘリックスターンヘリックス) / VIRAL RESISTANCE / CARF NUCLEOTIDE-BINDING DOMAIN / CRISPR Ring Nuclease
機能・相同性
CRISPR system ring nuclease SSO1393 / CRISPR system ring nuclease SSO1393-like / CRISPR-associated protein (Cas_APE2256) / Chem-LQJ / CRISPR-associated protein, APE2256 family
解像度: 2.85→48.05 Å / Cor.coef. Fo:Fc: 0.94 / Cor.coef. Fo:Fc free: 0.91 / SU B: 61.199 / SU ML: 0.571 / 交差検証法: FREE R-VALUE / ESU R Free: 0.475 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2906
740
5.01 %
Rwork
0.2515
14031
-
all
0.254
-
-
obs
-
14031
99.187 %
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: 117.141 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.595 Å2
-0 Å2
-0 Å2
2-
-
-0.595 Å2
-0 Å2
3-
-
-
1.19 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.85→48.05 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
4358
0
88
0
4446
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.013
4538
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.017
4384
X-RAY DIFFRACTION
r_angle_refined_deg
1.638
1.644
6140
X-RAY DIFFRACTION
r_angle_other_deg
1.284
1.587
10144
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.863
5
535
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
38.572
23.909
220
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
21.725
15
859
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
18.63
15
18
X-RAY DIFFRACTION
r_chiral_restr
0.081
0.2
583
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.02
4929
X-RAY DIFFRACTION
r_gen_planes_other
0.002
0.02
967
X-RAY DIFFRACTION
r_nbd_refined
0.205
0.2
1005
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.214
0.2
4374
X-RAY DIFFRACTION
r_nbtor_refined
0.174
0.2
2131
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.083
0.2
2434
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.157
0.2
46
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.225
0.2
17
X-RAY DIFFRACTION
r_nbd_other
0.233
0.2
66
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.073
0.2
3
X-RAY DIFFRACTION
r_mcbond_it
2.763
4.76
2146
X-RAY DIFFRACTION
r_mcbond_other
2.763
4.752
2144
X-RAY DIFFRACTION
r_mcangle_it
4.716
7.131
2679
X-RAY DIFFRACTION
r_mcangle_other
4.716
7.131
2679
X-RAY DIFFRACTION
r_scbond_it
3.098
5.213
2391
X-RAY DIFFRACTION
r_scbond_other
3.098
5.215
2392
X-RAY DIFFRACTION
r_scangle_it
5.195
7.711
3461
X-RAY DIFFRACTION
r_scangle_other
5.194
7.714
3462
X-RAY DIFFRACTION
r_lrange_it
11.251
90.028
17941
X-RAY DIFFRACTION
r_lrange_other
11.25
90.027
17942
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.159
0.05
7708
Refine LS restraints NCS
Ens-ID
Dom-ID
Auth asym-ID
Refine-ID
タイプ
Rms dev position (Å)
Weight position
1
1
AAA
X-RAY DIFFRACTION
Localncs
0.15934
0.05008
1
2
BBB
X-RAY DIFFRACTION
Localncs
0.15934
0.05008
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20