Ribonuclease T2, eukaryotic / Ribonuclease T2, His active site 1 / Ribonuclease T2 family histidine active site 1. / Ribonuclease T2-like / Ribonuclease T2 family / Ribonuclease Rh; Chain A / Ribonuclease T2-like / Ribonuclease T2, His active site 2 / Ribonuclease T2 family histidine active site 2. / Ribonuclease T2-like superfamily ...Ribonuclease T2, eukaryotic / Ribonuclease T2, His active site 1 / Ribonuclease T2 family histidine active site 1. / Ribonuclease T2-like / Ribonuclease T2 family / Ribonuclease Rh; Chain A / Ribonuclease T2-like / Ribonuclease T2, His active site 2 / Ribonuclease T2 family histidine active site 2. / Ribonuclease T2-like superfamily / Alpha-Beta Complex / Alpha Beta 類似検索 - ドメイン・相同性
AUTHORS STATE THAT RESIDUE 69 IS ASP ACCORDING TO THE CRYSTAL STRUCTURE, AND THIS IS A WILD TYPE ...AUTHORS STATE THAT RESIDUE 69 IS ASP ACCORDING TO THE CRYSTAL STRUCTURE, AND THIS IS A WILD TYPE NATIVE PROTEIN.
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実験情報
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実験
実験
手法: X線回折 / 使用した結晶の数: 1
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試料調製
結晶
マシュー密度: 3.45 Å3/Da / 溶媒含有率: 64.35 %
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データ収集
放射光源
由来: シンクロトロン / サイト: SSRL / ビームライン: BL7-1
放射
プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
相対比: 1
反射
解像度: 1.77→34.569 Å / Num. all: 35832 / Num. obs: 35832 / % possible obs: 98.6 % / 冗長度: 5.2 % / Rsym value: 0.061 / Net I/σ(I): 18.2
反射 シェル
解像度 (Å)
冗長度 (%)
Rmerge(I) obs
Mean I/σ(I) obs
Rsym value
Diffraction-ID
% possible all
1.77-1.87
4.2
0.807
1
0.807
1
91
1.87-1.98
5.4
0.499
1.6
0.499
1
100
1.98-2.12
5.4
0.281
2.8
0.281
1
100
2.12-2.29
5.5
0.17
4.6
0.17
1
100
2.29-2.51
5.5
0.116
6.7
0.116
1
100
2.51-2.81
5.4
0.073
10.5
0.073
1
100
2.81-3.24
5.4
0.044
16.7
0.044
1
100
3.24-3.97
5.3
0.027
25.5
0.027
1
100
3.97-5.61
5.1
0.022
27.4
0.022
1
99.7
5.61-34.569
5
0.018
32.8
0.018
1
99
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位相決定
位相決定
手法: 分子置換
Phasing MR
最高解像度
最低解像度
Rotation
3 Å
32.29 Å
Translation
3 Å
32.29 Å
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解析
ソフトウェア
名称
バージョン
分類
NB
SCALA
3.3.16
データスケーリング
MOLREP
位相決定
REFMAC
精密化
PDB_EXTRACT
3.1
データ抽出
Blu-Ice
データ収集
精密化
構造決定の手法: 分子置換 / 解像度: 1.8→33.97 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.961 / Occupancy max: 1 / Occupancy min: 0.3 / SU B: 4.766 / SU ML: 0.066 / SU R Cruickshank DPI: 0.0903 / 交差検証法: THROUGHOUT / ESU R: 0.091 / ESU R Free: 0.093 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: (1) There is unmodelled electron density in the active site that can be interpreted as a disordered nucleotide. (2) HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
反射数
%反射
Selection details
Rfree
0.18736
1738
5 %
RANDOM
Rwork
0.15378
-
-
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obs
0.15544
32945
99.67 %
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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: 27.343 Å2
Baniso -1
Baniso -2
Baniso -3
1-
1.63 Å2
0.82 Å2
0 Å2
2-
-
1.63 Å2
0 Å2
3-
-
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-2.45 Å2
精密化ステップ
サイクル: LAST / 解像度: 1.8→33.97 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
1878
0
64
278
2220
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.026
0.021
2185
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.02
1376
X-RAY DIFFRACTION
r_angle_refined_deg
2.095
1.982
3013
X-RAY DIFFRACTION
r_angle_other_deg
1.061
3
3372
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.905
5
273
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
36.99
26.161
112
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
12.223
15
310
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
25.273
15
3
X-RAY DIFFRACTION
r_chiral_restr
0.126
0.2
309
X-RAY DIFFRACTION
r_gen_planes_refined
0.012
0.021
2554
X-RAY DIFFRACTION
r_gen_planes_other
0.002
0.02
431
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
1.245
1.5
1297
X-RAY DIFFRACTION
r_mcbond_other
0.426
1.5
517
X-RAY DIFFRACTION
r_mcangle_it
1.998
2
2115
X-RAY DIFFRACTION
r_scbond_it
3.338
3
888
X-RAY DIFFRACTION
r_scangle_it
4.785
4.5
898
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: 1.8→1.847 Å / Total num. of bins used: 20
Rfactor
反射数
%反射
Rfree
0.357
115
-
Rwork
0.333
2325
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obs
-
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96.52 %
精密化 TLS
手法: refined / Origin x: 29.642 Å / Origin y: -16.589 Å / Origin z: 37.043 Å