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- PDB-6x0a: X-ray structure of a chimeric ParDE toxin-antitoxin complex from ... -

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基本情報

登録情報
データベース: PDB / ID: 6x0a
タイトルX-ray structure of a chimeric ParDE toxin-antitoxin complex from Mesorhizobium opportunistum
要素
  • Plasmid stabilization system
  • Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
キーワードTOXIN / Toxin-antitoxin complex
機能・相同性
機能・相同性情報


regulation of DNA-templated transcription
類似検索 - 分子機能
Bacterial antitoxin of ParD toxin-antitoxin type II system and RHH / Antitoxin ParD / Antitoxin ParD superfamily / : / ParE toxin of type II toxin-antitoxin system, parDE / Toxin-antitoxin system, RelE/ParE toxin family / Toxin-antitoxin system, RelE/ParE toxin domain superfamily / Ribbon-helix-helix
類似検索 - ドメイン・相同性
1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE / Addiction module antidote protein, CopG/Arc/MetJ family / Plasmid stabilization system / Addiction module antidote protein, CopG/Arc/MetJ family
類似検索 - 構成要素
生物種Mesorhizobium opportunistum
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.9 Å
データ登録者Lite, T.L. / Grant, R.A. / Laub, M.T.
資金援助 米国, 2件
組織認可番号国
Howard Hughes Medical Institute (HHMI) 米国
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01GM082899 米国
引用ジャーナル: Elife / 年: 2020
タイトル: Uncovering the basis of protein-protein interaction specificity with a combinatorially complete library.
著者: Lite, T.V. / Grant, R.A. / Nocedal, I. / Littlehale, M.L. / Guo, M.S. / Laub, M.T.
履歴
登録2020年5月15日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02020年11月25日Provider: repository / タイプ: Initial release
改定 1.12023年10月18日Group: Data collection / Database references / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / software / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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構造の表示

構造ビューア分子:
MolmilJmol/JSmol

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集合体

登録構造単位
A: Plasmid stabilization system
B: Plasmid stabilization system
C: Plasmid stabilization system
D: Plasmid stabilization system
E: Plasmid stabilization system
F: Plasmid stabilization system
G: Plasmid stabilization system
H: Plasmid stabilization system
I: Plasmid stabilization system
J: Plasmid stabilization system
K: Plasmid stabilization system
L: Plasmid stabilization system
M: Plasmid stabilization system
N: Plasmid stabilization system
O: Plasmid stabilization system
P: Plasmid stabilization system
Q: Plasmid stabilization system
R: Plasmid stabilization system
a: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
b: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
c: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
d: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
e: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
f: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
g: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
h: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
i: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
j: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
k: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
l: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
m: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
n: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
o: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
p: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
q: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
r: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)401,62346
ポリマ－400,00136
非ポリマー1,62210
水00
1
A: Plasmid stabilization system
a: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)22,5474
ポリマ－22,2222
非ポリマー3242
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area3250 Å2
ΔGint-21 kcal/mol
Surface area11780 Å2
手法PISA
2
B: Plasmid stabilization system
b: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)22,3843
ポリマ－22,2222
非ポリマー1621
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area3160 Å2
ΔGint-21 kcal/mol
Surface area12050 Å2
手法PISA
3
C: Plasmid stabilization system
c: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)22,5474
ポリマ－22,2222
非ポリマー3242
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area3170 Å2
ΔGint-22 kcal/mol
Surface area11960 Å2
手法PISA
4
D: Plasmid stabilization system
d: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)22,5474
ポリマ－22,2222
非ポリマー3242
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area3210 Å2
ΔGint-21 kcal/mol
Surface area11820 Å2
手法PISA
5
E: Plasmid stabilization system
e: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)22,3843
ポリマ－22,2222
非ポリマー1621
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area3200 Å2
ΔGint-20 kcal/mol
Surface area11000 Å2
手法PISA
6
F: Plasmid stabilization system
f: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera


分子量 (理論値)分子数
合計 (水以外)22,2222
ポリマ－22,2222
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area3130 Å2
ΔGint-21 kcal/mol
Surface area11750 Å2
手法PISA
7
G: Plasmid stabilization system
g: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera


分子量 (理論値)分子数
合計 (水以外)22,2222
ポリマ－22,2222
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area3120 Å2
ΔGint-21 kcal/mol
Surface area12130 Å2
手法PISA
8
H: Plasmid stabilization system
h: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera


分子量 (理論値)分子数
合計 (水以外)22,2222
ポリマ－22,2222
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2980 Å2
ΔGint-23 kcal/mol
Surface area10710 Å2
手法PISA
9
I: Plasmid stabilization system
i: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera


分子量 (理論値)分子数
合計 (水以外)22,2222
ポリマ－22,2222
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2980 Å2
ΔGint-25 kcal/mol
Surface area11710 Å2
手法PISA
10
J: Plasmid stabilization system
j: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera


分子量 (理論値)分子数
合計 (水以外)22,2222
ポリマ－22,2222
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area3080 Å2
ΔGint-24 kcal/mol
Surface area11240 Å2
手法PISA
11
K: Plasmid stabilization system
k: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera


分子量 (理論値)分子数
合計 (水以外)22,2222
ポリマ－22,2222
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area3210 Å2
ΔGint-23 kcal/mol
Surface area11800 Å2
手法PISA
12
L: Plasmid stabilization system
l: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)22,3843
ポリマ－22,2222
非ポリマー1621
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area3220 Å2
ΔGint-23 kcal/mol
Surface area11860 Å2
手法PISA
13
M: Plasmid stabilization system
m: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)22,3843
ポリマ－22,2222
非ポリマー1621
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area3270 Å2
ΔGint-22 kcal/mol
Surface area11600 Å2
手法PISA
14
N: Plasmid stabilization system
n: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera


分子量 (理論値)分子数
合計 (水以外)22,2222
ポリマ－22,2222
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area3050 Å2
ΔGint-25 kcal/mol
Surface area11690 Å2
手法PISA
15
O: Plasmid stabilization system
o: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera


分子量 (理論値)分子数
合計 (水以外)22,2222
ポリマ－22,2222
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2990 Å2
ΔGint-25 kcal/mol
Surface area11070 Å2
手法PISA
16
P: Plasmid stabilization system
p: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera


分子量 (理論値)分子数
合計 (水以外)22,2222
ポリマ－22,2222
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area3100 Å2
ΔGint-25 kcal/mol
Surface area11970 Å2
手法PISA
17
Q: Plasmid stabilization system
q: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera


分子量 (理論値)分子数
合計 (水以外)22,2222
ポリマ－22,2222
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area3070 Å2
ΔGint-25 kcal/mol
Surface area11860 Å2
手法PISA
18
R: Plasmid stabilization system
r: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera


分子量 (理論値)分子数
合計 (水以外)22,2222
ポリマ－22,2222
非ポリマー00
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
Buried area2960 Å2
ΔGint-25 kcal/mol
Surface area11510 Å2
手法PISA
単位格子
Length a, b, c (Å)148.540, 148.540, 195.270
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number145
Space group name H-MP32
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
11(chain A and resid 5 through 92)
21(chain B and resid 5 through 92)
31(chain C and resid 5 through 92)
41(chain D and resid 5 through 92)
51(chain E and resid 5 through 92)
61(chain F and resid 5 through 92)
71(chain G and resid 5 through 92)
81(chain H and resid 5 through 92)
91chain I
101(chain J and resid 5 through 92)
111(chain K and resid 5 through 92)
121(chain L and resid 5 through 92)
131(chain M and resid 5 through 92)
141(chain N and resid 5 through 92)
151(chain O and resid 5 through 92)
161(chain P and resid 5 through 92)
171(chain Q and resid 5 through 92)
181(chain R and resid 5 through 92)
12(chain a and resid 11 through 89)
22(chain b and resid 11 through 89)
32(chain c and resid 11 through 89)
42(chain d and resid 11 through 89)
52chain e
62(chain f and resid 11 through 89)
72(chain g and resid 11 through 89)
82chain h
92(chain i and resid 11 through 89)
102(chain j and resid 11 through 89)
112(chain k and resid 11 through 89)
122(chain l and resid 11 through 89)
132(chain m and resid 11 through 89)
142(chain n and resid 11 through 89)
152(chain o and resid 11 through 89)
162(chain p and resid 11 through 89)
172(chain q and resid 11 through 89)
182(chain r and resid 11 through 89)

NCSドメイン領域:

Component-ID: 1

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ARGARGTHRTHR(chain A and resid 5 through 92)AA5 - 9219 - 106
21ARGARGTHRTHR(chain B and resid 5 through 92)BB5 - 9219 - 106
31ARGARGTHRTHR(chain C and resid 5 through 92)CC5 - 9219 - 106
41ARGARGTHRTHR(chain D and resid 5 through 92)DD5 - 9219 - 106
51ARGARGTHRTHR(chain E and resid 5 through 92)EE5 - 9219 - 106
61ARGARGTHRTHR(chain F and resid 5 through 92)FF5 - 9219 - 106
71ARGARGTHRTHR(chain G and resid 5 through 92)GG5 - 9219 - 106
81ARGARGTHRTHR(chain H and resid 5 through 92)HH5 - 9219 - 106
91ARGARGTHRTHRchain III5 - 9219 - 106
101ARGARGTHRTHR(chain J and resid 5 through 92)JJ5 - 9219 - 106
111ARGARGTHRTHR(chain K and resid 5 through 92)KK5 - 9219 - 106
121ARGARGTHRTHR(chain L and resid 5 through 92)LL5 - 9219 - 106
131ARGARGTHRTHR(chain M and resid 5 through 92)MM5 - 9219 - 106
141ARGARGTHRTHR(chain N and resid 5 through 92)NN5 - 9219 - 106
151ARGARGTHRTHR(chain O and resid 5 through 92)OO5 - 9219 - 106
161ARGARGTHRTHR(chain P and resid 5 through 92)PP5 - 9219 - 106
171ARGARGTHRTHR(chain Q and resid 5 through 92)QQ5 - 9219 - 106
181ARGARGTHRTHR(chain R and resid 5 through 92)RR5 - 9219 - 106
12VALVALILEILE(chain a and resid 11 through 89)aS11 - 8911 - 89
22VALVALILEILE(chain b and resid 11 through 89)bT11 - 8911 - 89
32VALVALILEILE(chain c and resid 11 through 89)cU11 - 8911 - 89
42VALVALILEILE(chain d and resid 11 through 89)dV11 - 8911 - 89
52VALVALILEILEchain eeW11 - 8911 - 89
62VALVALILEILE(chain f and resid 11 through 89)fX11 - 8911 - 89
72VALVALILEILE(chain g and resid 11 through 89)gY11 - 8911 - 89
82VALVALILEILEchain hhZ11 - 8911 - 89
92VALVALILEILE(chain i and resid 11 through 89)iAA11 - 8911 - 89
102VALVALILEILE(chain j and resid 11 through 89)jBA11 - 8911 - 89
112VALVALILEILE(chain k and resid 11 through 89)kCA11 - 8911 - 89
122VALVALILEILE(chain l and resid 11 through 89)lDA11 - 8911 - 89
132VALVALILEILE(chain m and resid 11 through 89)mEA11 - 8911 - 89
142VALVALILEILE(chain n and resid 11 through 89)nFA11 - 8911 - 89
152VALVALILEILE(chain o and resid 11 through 89)oGA11 - 8911 - 89
162VALVALILEILE(chain p and resid 11 through 89)pHA11 - 8911 - 89
172VALVALILEILE(chain q and resid 11 through 89)qIA11 - 8911 - 89
182VALVALILEILE(chain r and resid 11 through 89)rJA11 - 8911 - 89

NCSアンサンブル:
ID
1
2

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要素

#1: タンパク質
Plasmid stabilization system


分子量: 11949.514 Da / 分子数: 18 / 由来タイプ: 組換発現
由来: (組換発現) Mesorhizobium opportunistum (strain LMG 24607 / HAMBI 3007 / WSM2075) (根粒菌)
株: LMG 24607 / HAMBI 3007 / WSM2075 / 遺伝子: Mesop_5171 / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: F7Y4W0
#2: タンパク質
Putative addiction module antidote protein, CopG/Arc/MetJ family chimera


分子量: 10272.750 Da / 分子数: 18 / 由来タイプ: 組換発現
由来: (組換発現) Mesorhizobium opportunistum (strain LMG 24607 / HAMBI 3007 / WSM2075) (根粒菌)
株: LMG 24607 / HAMBI 3007 / WSM2075 / 遺伝子: Mesop_5599, Mesop_5170 / 発現宿主: Escherichia coli (大腸菌) / 参照: UniProt: F7YBW8, UniProt: F7Y4V9
#3: 化合物
ChemComp-P4G / 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE / ジエチレングリコ-ルジエチルエ-テル


分子量: 162.227 Da / 分子数: 10 / 由来タイプ: 合成 / 式: C8H18O3
研究の焦点であるリガンドがあるかN

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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: 3.11 Å3/Da / 溶媒含有率: 60.44 %
結晶化温度: 291 K / 手法: 蒸気拡散法, ハンギングドロップ法
詳細: 0.2 M ammonium acetate, 0.1 M sodium citrate tribasic dihydrate pH 5.5, 24% v/v polyethylene glycol 400

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データ収集

回折平均測定温度: 100 K / Serial crystal experiment: N
放射光源由来: シンクロトロン / サイト: APS / ビームライン: 24-ID-E / 波長: 0.97918 Å
検出器タイプ: DECTRIS PILATUS3 S 6M / 検出器: PIXEL / 日付: 2019年7月25日
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
放射波長波長: 0.97918 Å / 相対比: 1
反射解像度: 2.9→30 Å / Num. obs: 105559 / % possible obs: 99 % / 冗長度: 4.9 % / Rmerge(I) obs: 0.117 / Rpim(I) all: 0.059 / Rrim(I) all: 0.131 / Χ2: 1.189 / Net I/σ(I): 5.1 / Num. measured all: 514447
反射 シェル

Diffraction-ID: 1

解像度 (Å)冗長度 (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) allΧ2% possible all
2.9-2.953.80.91849300.7270.51.0510.64191.7
2.95-34.40.91251820.7540.4751.0320.64597.5
3-3.064.90.93753100.7610.4691.050.65299.8
3.06-3.125.10.82553030.8380.4030.920.68599.9
3.12-3.195.20.72853640.860.3540.8120.7199.9
3.19-3.275.10.61953330.8760.3020.6910.75199.8
3.27-3.3550.50152920.90.250.5610.81799.8
3.35-3.444.50.38552980.9240.2020.4360.91699.5
3.44-3.544.70.34353460.9320.1740.3860.94299.3
3.54-3.655.50.29252650.9620.1380.3231.0299.6
3.65-3.785.50.23452940.970.1110.261.15299.5
3.78-3.935.30.19952890.9740.0960.2221.22299
3.93-4.115.20.17452540.9770.0860.1951.30399.1
4.11-4.3350.14653060.9830.0740.1651.4399.2
4.33-4.64.70.1252870.9870.0630.1361.54299.3
4.6-4.954.40.10152490.9890.0560.1161.65698.5
4.95-5.454.30.09153050.9910.0520.1051.57999.1
5.45-6.235.30.09653190.9940.0480.1081.41399.9
6.23-7.834.90.06653250.9950.0350.0751.77799.8
7.83-304.60.05353080.9970.0270.062.98699.5

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位相決定

位相決定手法: 分子置換

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解析

ソフトウェア
名称バージョン分類
SCALEPACKデータスケーリング
PHASER位相決定
PHENIX1.17.1_3660精密化
PDB_EXTRACT3.25データ抽出
精密化構造決定の手法: 分子置換
開始モデル: 6X09

6x09
PDB 未公開エントリ


解像度: 2.9→29.81 Å / SU ML: 0.47 / 交差検証法: THROUGHOUT / σ(F): 1.96 / 位相誤差: 35.17 / 立体化学のターゲット値: ML
Rfactor反射数%反射
Rfree0.2816 1998 1.9 %
Rwork0.2549 103338 -
obs0.2554 105336 98.71 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
原子変位パラメータBiso max: 353.26 Å2 / Biso mean: 133.0522 Å2 / Biso min: 50.44 Å2
精密化ステップサイクル: final / 解像度: 2.9→29.81 Å
タンパク質核酸リガンド溶媒全体
原子数24667 0 290 0 24957
Biso mean--102.21 --
残基数----3158
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-ID数Refine-IDRmsタイプ
11A7600X-RAY DIFFRACTION11.394TORSIONAL
12B7600X-RAY DIFFRACTION11.394TORSIONAL
13C7600X-RAY DIFFRACTION11.394TORSIONAL
14D7600X-RAY DIFFRACTION11.394TORSIONAL
15E7600X-RAY DIFFRACTION11.394TORSIONAL
16F7600X-RAY DIFFRACTION11.394TORSIONAL
17G7600X-RAY DIFFRACTION11.394TORSIONAL
18H7600X-RAY DIFFRACTION11.394TORSIONAL
19I7600X-RAY DIFFRACTION11.394TORSIONAL
110J7600X-RAY DIFFRACTION11.394TORSIONAL
111K7600X-RAY DIFFRACTION11.394TORSIONAL
112L7600X-RAY DIFFRACTION11.394TORSIONAL
113M7600X-RAY DIFFRACTION11.394TORSIONAL
114N7600X-RAY DIFFRACTION11.394TORSIONAL
115O7600X-RAY DIFFRACTION11.394TORSIONAL
116P7600X-RAY DIFFRACTION11.394TORSIONAL
117Q7600X-RAY DIFFRACTION11.394TORSIONAL
118R7600X-RAY DIFFRACTION11.394TORSIONAL
21a7191X-RAY DIFFRACTION11.394TORSIONAL
22b7191X-RAY DIFFRACTION11.394TORSIONAL
23c7191X-RAY DIFFRACTION11.394TORSIONAL
24d7191X-RAY DIFFRACTION11.394TORSIONAL
25e7191X-RAY DIFFRACTION11.394TORSIONAL
26f7191X-RAY DIFFRACTION11.394TORSIONAL
27g7191X-RAY DIFFRACTION11.394TORSIONAL
28h7191X-RAY DIFFRACTION11.394TORSIONAL
29i7191X-RAY DIFFRACTION11.394TORSIONAL
210j7191X-RAY DIFFRACTION11.394TORSIONAL
211k7191X-RAY DIFFRACTION11.394TORSIONAL
212l7191X-RAY DIFFRACTION11.394TORSIONAL
213m7191X-RAY DIFFRACTION11.394TORSIONAL
214n7191X-RAY DIFFRACTION11.394TORSIONAL
215o7191X-RAY DIFFRACTION11.394TORSIONAL
216p7191X-RAY DIFFRACTION11.394TORSIONAL
217q7191X-RAY DIFFRACTION11.394TORSIONAL
218r7191X-RAY DIFFRACTION11.394TORSIONAL
LS精密化 シェル

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 14

解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.9-2.970.40721300.37626865699591
2.97-3.050.35741420.35847379752199
3.05-3.140.35831380.359674877625100
3.14-3.240.3571460.350274157561100
3.24-3.360.30941390.328374707609100
3.36-3.490.30131490.32817374752399
3.49-3.650.3311420.305574697611100
3.65-3.850.32651420.27467440758299
3.85-4.090.26421480.26387411755999
4.09-4.40.26521410.24957353749499
4.4-4.840.23461520.23117394754699
4.84-5.540.28961410.23467400754199
5.54-6.960.321440.26874837627100
6.96-29.810.22651440.18347398754299
精密化 TLS

手法: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
13.4963-5.3476-1.71455.11620.34270.51940.61960.2652-0.72990.083-0.50170.32710.11630.1684-0.0050.7168-0.0063-0.00560.8244-0.12710.59132.3327-56.829222.6495
22.551-9.1393-3.03462.50667.88839.3519-0.1072-0.25611.37730.00271.2492-2.77810.0121.2406-0.79510.8199-0.14390.04260.811-0.08460.782240.7184-50.677723.3228
32.16345.02471.79064.70553.97432.2643-0.6599-0.46840.5549-0.06960.88020.1526-2.609-0.7636-0.13531.1670.08350.02830.68650.04630.796430.8609-35.313320.0789
47.1641-5.3917-3.84727.88836.61747.5179-0.4573-0.4135-0.13050.01650.12790.4438-0.93510.55920.5480.8648-0.0241-0.06870.7320.07440.403828.1458-41.67819.7647
51.1630.66874.02917.91434.21092.20120.20040.1718-0.1775-0.699-0.23440.0642-0.49850.08050.12710.6527-0.0887-0.10550.56580.03120.552228.5432-47.342715.0301
63.5579-0.032.4813.059-3.9532.7388-0.192-0.4129-0.0905-0.51130.1525-0.77090.4495-0.3997-0.13830.92610.10410.09120.7902-0.1090.495135.4387-26.4086-42.4915
72.92957.2137-3.58496.6957-6.60582.9380.8485-1.29891.95380.2494-0.5092.1364-1.1688-0.6972-0.64310.94860.14910.11040.946-0.0410.806726.5045-21.5295-40.848
84.719-2.0873-2.715410.2641-1.60432.1181-0.078-1.26090.00170.50040.40720.61172.0342-2.3191-0.30190.9968-0.2511-0.1631.25170.0170.738818.8181-39.1182-45.5223
94.08181.0695-0.16876.10260.71513.71560.0560.41550.0061-0.1149-0.2385-0.0164-0.0505-1.69860.12780.8133-0.0072-0.0710.9659-0.01470.486625.5513-34.2991-46.9352
105.09550.159-0.48853.94350.12713.50670.50830.4740.00130.6208-0.3421-0.02020.1994-0.9097-0.19561.0258-0.2502-0.0410.58370.00850.375333.206227.036523.0497
114.9518-5.4396-1.25677.95812.73636.3695-0.0879-0.1580.77161.54440.5593-1.5420.19530.8365-0.37770.9018-0.1717-0.1240.8167-0.01280.663241.021333.08222.866
123.4320.56310.63445.63360.70964.97370.21170.07230.37040.01360.0949-0.0265-0.6771-0.336-0.06920.9527-0.02510.05760.62420.03360.423328.288840.222318.1556
134.30956.04294.65571.97415.42365.66990.02111.73520.02110.99450.0084-0.237-0.6099-1.30720.48070.87150.1903-0.1310.8122-0.14331.146336.270963.104312.4637
146.24644.5127-0.45652.12357.51847.04380.04720.7431-0.2007-0.78280.7015-1.6212-1.18060.5118-0.88810.8389-0.1784-0.07220.72260.00770.575444.769852.28451.784
159.5072-5.0154-2.34044.71272.22675.5070.0198-0.3998-1.00620.9626-0.32971.02090.3318-0.08070.14690.8893-0.1613-0.03550.70030.14610.566840.086448.519112.1518
161.9857-2.7147-7.32752.0299-4.49157.62290.4694-2.38290.26153.3347-0.85350.75240.5544-1.3370.78331.6125-0.42170.30351.1865-0.16420.692640.385257.864526.7512
175.66182.59121.47223.2017-1.00465.20610.6816-1.69520.98940.6093-1.2575-0.2321-1.83260.20890.6551.4418-0.3565-0.31680.8801-0.05810.795552.118762.647923.0548
185.5070.3721.26863.39270.3755.5692-0.4821-1.15160.3763-0.01610.335-0.5056-0.2526-0.27620.64111.0005-0.3207-0.1791.030.0450.584850.714460.00818.5431
199.16055.11831.26318.45978.19152.63161.3044-1.1808-0.7555-1.3552-1.12131.7208-1.1758-1.26250.41961.1344-0.13440.00220.92180.07750.596744.296862.611617.4134
207.9839-7.3230.96142.6451-3.52655.31961.1732-1.09830.3769-0.59780.2255-0.5619-0.88010.0728-1.41340.8096-0.2069-0.10710.7484-0.15250.792944.012562.097113.1246
218.5045-1.0098-6.34258.60614.17921.97340.6484-1.7189-0.37222.2564-0.58810.7912.9416-0.25440.33911.1471-0.38270.03521.5012-0.00390.704964.153152.281211.4328
229.3708-1.61316.76673.5693-5.44471.99390.16171.36810.2853-0.4455-1.62630.53881.150.34351.39870.97660.05710.13980.2996-0.09741.286239.0067-20.437512.5046
239.55453.63761.24492.06349.51457.00730.0119-0.1905-0.177-0.6869-0.0031-1.6519-1.04680.53690.16520.8961-0.12260.09550.75870.09580.595446.8546-31.83322.1516
247.5848-8.6644-5.62782.12721.83342.17220.0826-0.4278-0.42230.6741-0.20680.87680.45510.58170.56271.0972-0.22030.0010.85090.11490.576541.5154-35.116412.406
251.87931.01540.63672.2450.08215.79190.459-1.81411.27252.3108-0.0491-0.214-0.25010.9858-0.16861.5961-0.3497-0.03550.8898-0.15361.016350.6661-21.716123.4475
269.0461-2.3049-4.04843.2382.10112.07770.6429-1.99-0.1164-0.21210.3881-0.8578-0.27930.0178-0.39221.0409-0.1439-0.16320.8510.05050.596951.2892-28.692918.6264
274.50160.25311.09295.80721.98043.69690.3379-0.1927-0.79350.626-0.82161.4211-1.3327-0.4486-0.10241.1804-0.2657-0.02820.92460.04620.797146.7408-21.426917.6587
282.6567-4.09571.63852.3847-2.82374.34271.2399-1.31891.02481.37270.3987-1.6875-1.4038-1.1737-0.55251.0605-0.16970.07410.7191-0.05861.020646.7124-21.81313.5157
294.1426-5.2733-1.48958.30454.53094.846-1.35640.2061-0.40340.68290.8194-0.16470.93460.94750.16191.0287-0.14140.13551.3443-0.02321.399365.929-33.313312.5022
306.2299-1.28750.54938.17860.4662-0.1383-0.30110.3894-0.08961.38910.33220.34060.9772-0.159-0.00850.7558-0.0415-0.04480.64640.02940.385439.742215.47170.5391
312.3048-5.2797-2.98967.5457.45568.33630.74220.67951.3971-0.9529-0.1057-2.0736-1.47730.3826-0.76460.9144-0.20060.06240.76410.16330.812248.499720.6494-1.3441
322.40792.6085-6.96499.1808-4.41938.7193-0.00870.2286-0.02850.09920.3737-1.98581.38451.4048-0.05560.8150.073-0.19131.0786-0.02180.979858.89765.45621.9338
338.8987-3.1233-1.62025.61712.11652.8626-0.13610.1401-0.36360.0182-0.41790.27440.31460.96470.44750.73880.0525-0.08260.6627-0.00720.481450.13916.86455.169
349.2348-0.60631.33141.55620.5765-0.14290.25670.1970.3652-0.67060.0693-0.03350.25660.046-0.430.81520.0179-0.020.5979-0.02870.438670.63890.93665.8531
352.31672.01318.00646.3352-0.43397.00960.57790.8677-1.5687-0.2002-0.03970.1081.56260.2474-0.23561.28090.01140.07080.7443-0.10040.552569.8124-9.358664.2115
365.4959-4.4148-7.36234.38366.16472.15080.3074-0.0561-1.1066-0.52860.18930.57340.0182-2.38530.52070.9221-0.2708-0.11021.19080.05880.936251.3442-9.244567.3653
374.920.7074-2.62755.1668-3.06245.3178-0.0077-0.03570.0823-0.1147-0.04760.22470.4091-1.18170.04480.64690.02-0.06460.9672-0.0350.496257.6492-2.5170.4687
389.07863.92113.28367.8688-6.07579.9987-1.1165-0.897-0.0709-0.1213-1.080.08651.01721.00451.54370.56280.14260.13590.8902-0.05670.8499-0.2209-41.899910.7003
397.1077-5.4728-3.26411.95271.80866.0720.0906-0.9055-0.0443-0.2408-0.028-0.0510.04091.22220.18390.64370.00530.0810.940.09370.6853-5.5859-29.327521.4294
403.9244-5.061-1.84049.12177.66792.390.00551.8617-0.3619-0.7042-0.98871.068-1.1506-1.69181.67880.6616-0.0091-0.07861.23030.11110.7979-11.2999-31.801311.2169
416.61250.0406-4.78298.49132.21667.21570.08041.47390.3201-2.10670.0581-0.9207-0.3816-0.4068-0.08630.77860.05960.20341.52090.18520.7844.6202-30.92780.0054
424.6861.52241.97950.4573-0.13527.2835-0.1737-0.52540.1938-0.14710.92630.16820.34320.9822-0.86950.7116-0.04240.0991.32080.09920.68011.4827-31.49265.4203
433.1617-4.6062-0.85482.04517.08182.0904-0.5490.21170.25880.47440.9368-0.05760.70440.2179-0.26420.82770.0330.19760.85980.14770.70692.4372-34.59919.9813
446.8793-4.68343.06675.20871.819.15860.09110.4487-0.23780.6198-2.2924-0.9186-0.6402-2.03681.48491.3436-0.552-0.09751.47210.08430.84083.408-12.160511.65
458.52563.409-2.72876.14841.72155.2628-1.86470.7066-0.6771-0.67481.3568-1.03492.2505-0.46350.60692.26540.1970.09941.28660.09111.002970.262919.50821.5349
466.41652.5201-3.66024.77410.89233.9533-2.70842.4179-0.9501-2.90330.41750.35163.1075-1.51810.88483.3589-0.81110.01181.96010.19461.193462.171719.441812.7672
476.48340.8397-0.90057.18822.09892.7275-1.1391.9175-0.7578-4.17121.0635-0.55990.84-0.92390.20323.1183-0.57670.26061.699-0.00841.080575.490324.40596.0093
486.2442-0.6112-0.76472.3634-0.95396.5137-0.51970.18480.9246-0.1168-0.2485-1.2917-0.446-0.6463-0.20491.30910.4916-0.18671.1516-0.15711.18627.2626-5.2036-76.0673
497.3464-0.3845-0.79653.0329-2.03227.11730.1595-0.12770.2272-0.4897-0.7005-0.4628-1.1720.34290.13031.25760.1432-0.1731.0682-0.12211.628319.5117-2.5722-77.4458
507.9131-0.9105-0.28917.06853.06422.1554-0.10850.92121.5368-0.24070.599-1.06040.32890.0903-0.00191.25020.276-0.12360.98410.2161.426617.7115-6.9656-86.1101
514.73762.69880.79493.1084-3.32738.62930.0261-0.95811.7849-0.314-0.4959-0.57210.88581.188-0.29821.66850.1694-0.33980.8833-0.19431.681518.8953-24.5933-75.3985
526.0197-1.14621.5136.9619-0.94294.4562-0.54360.0724-0.16330.33630.40840.87160.3139-0.35980.06881.1138-0.07950.14880.59270.0210.92821.9464-72.535861.7456
537.29051.7892-4.58994.8122-0.14272.0946-1.10311.64160.8623-2.30020.25732.6149-1.032-1.8201-0.0071.1444-0.101-0.36051.13470.03571.76-5.067-59.429648.6095
545.50190.6494-2.22655.1441-0.86097.39360.34810.2582-0.6964-0.1704-0.05551.29341.2408-1.04180.22071.2164-0.1417-0.26820.7182-0.00421.26-1.8023-65.954151.6215
558.96214.9691.01846.60662.03588.29480.195-1.03281.37060.6042-0.09550.5477-0.6922-0.4746-0.11431.12090.3869-0.0040.89230.13490.772514.4325-53.734657.1519
567.763.0921-1.19227.6421-1.59694.18470.41730.05990.1887-0.7570.0240.36720.4994-0.7207-0.51851.20230.194-0.09660.8698-0.06670.451638.2774-12.6823-64.7983
573.20011.3932-1.22396.4902-1.20427.48830.1646-0.00420.4195-0.1307-0.14220.1342-1.06121.01120.06741.0470.041-0.0430.7333-0.02070.476446.2355-1.3602-60.0483
585.99753.70741.05294.94170.57352.4423-0.54240.0604-0.39110.49330.4361-0.53070.1641.91220.10690.7135-0.12480.07970.8830.15251.175762.9145-42.8221-4.7077
592.79260.9808-0.70898.50796.41146.80420.0526-0.2431-0.52181.3608-0.540.1170.96321.15170.66490.9487-0.0854-0.12481.1170.14551.703362.0505-51.60381.1124
607.6551-9.55270.14362.1381-5.98518.1158-0.13382.8206-4.2761-1.0079-0.54440.42721.49480.110.59621.0654-0.33010.07791.4468-0.38272.218254.8169-60.0288-14.5491
618.21842.79952.2962.25819.47352.0796-0.09281.3756-2.19810.40570.2078-0.9960.4632-0.8607-0.71721.0457-0.11990.01520.9878-0.13351.431354.09-55.3229-10.2638
622.24221.9456-8.2922.08457.26718.4919-0.0737-0.42070.1245-0.95790.7521-1.31950.4052.484-1.33331.12580.21810.01131.2101-0.39011.5459.8212-55.5149-14.2065
633.3218-4.7483-1.32229.21970.31892.835-0.49333.6717-1.1224-0.7769-0.5842-1.68091.04760.14211.25820.78070.04480.30871.6708-0.39261.298261.1614-51.5633-13.3146
642.0254-4.4234-8.37542.0178-1.87232.012-1.0291-2.2493-0.1795-0.7781.14960.48312.2843-0.9994-0.14441.3199-0.1357-0.15021.15540.04230.672340.5782-44.3958-7.5901
653.32580.7891.75894.25691.39385.29590.10410.42510.8809-0.1853-0.15821.1078-0.96020.21780.34551.5622-0.351-0.22211.16040.06921.334463.190439.996932.3609
668.99530.3785-2.9142.3309-4.7932.13540.4228-1.05931.14151.207-0.40150.49870.1196-0.66210.36451.6973-0.32250.15590.9669-0.26671.860153.710135.824745.043
673.1018-0.40440.89912.23510.19946.74130.6945-0.99870.1866-0.5740.34460.5241-0.0034-0.1668-1.26041.7491-0.25550.02160.9017-0.17251.286359.348730.458239.9377
685.39040.5717-1.61955.4605-3.662.8553-0.1860.1738-0.5134-0.5955-0.1779-0.22950.4434-1.40530.53590.71180.1181-0.05461.098-0.02021.051711.5119-1.225-35.8367
695.34173.5936-0.67973.6991-1.17792.72240.24490.2176-1.5842-0.9381-0.6448-0.53271.22910.37550.3391.09750.296-0.06340.8754-0.11211.395614.432-13.212-36.6299
703.6214-0.97171.38487.82351.67763.8194-0.019-0.611-1.24210.9490.08070.92610.2153-0.51770.0140.67940.0567-0.02440.93670.17350.945719.4168-10.3395-28.3718
714.79820.5414-2.27992.66282.13243.4088-3.0090.7782-1.0483-2.42492.20040.93592.90160.27910.53653.5291-0.4730.11421.81720.29131.285865.4694-67.470917.2231
723.48141.80320.77894.41961.47893.1531-0.93162.2049-2.5357-1.82780.7143-0.42490.2118-0.07860.2073.2209-0.73560.4942.2064-0.0431.6276.9814-62.47161.6191
734.98321.56121.27554.42661.33152.939-1.06261.0795-0.5287-3.71271.5176-1.06230.0592-0.3840.21723.0591-0.39410.30631.6295-0.04551.191274.5924-62.54119.7449
746.0434-2.9632-1.66215.0034-0.69773.1613-1.5602-1.6264-0.51611.95061.34480.13131.67110.34780.34472.26640.3348-0.09211.35570.06681.0115.8734-23.0662-54.2625
752.93886.2176-4.39122.1345-6.52145.2211-1.0478-1.5083-2.012.0275-0.5328-1.7297-0.09311.38370.95592.2310.41050.12022.22280.23151.18280.4056-21.3431-47.6816
769.35893.2637-4.52856.37190.10152.6448-0.5-1.4173-0.6183-0.1318-0.9804-0.09851.03630.10481.91121.79360.2255-0.18511.25510.01840.9121-0.9478-16.9347-53.7281
774.4918-0.742-4.88853.61750.29496.6237-0.27430.14540.70590.1691-0.2781-1.32621.2787-0.45610.2721.60190.33360.21521.05050.18271.473873.7757-33.466599.8748
781.5456-3.0567-1.48597.46571.27788.3991-0.2461-0.82490.54720.01690.6208-2.3028-0.46890.8177-0.28081.31440.2901-0.04771.2511-0.03282.322980.731-22.7827103.2322
795.9902-0.5894-4.85173.83363.17015.77010.8706-0.24660.09940.9768-0.0092-0.85730.73421.3224-1.19831.64910.2979-0.18991.1560.14511.944775.1204-23.0964107.598
807.172-1.5423-5.009210.07442.6876.26371.10421.1148-0.4561-1.2485-0.5180.58190.303-1.0396-0.24981.02040.0403-0.32531.12770.1910.586923.2678-42.9034-24.8666
810.94060.7008-2.4816-0.292-0.79253.0528-0.4030.312-0.19930.0125-0.0779-0.13760.7265-1.18070.80190.897-0.0326-0.01191.0179-0.01720.485922.8926-48.61531.6293
822.2179-0.78230.08839.98258.08216.9656-0.59691.4288-0.65842.49341.59160.81231.13433.0028-0.60831.33690.1349-0.33981.3618-0.01110.790935.1846-64.533427.1119
832.73253.63322.20996.0105-0.49132.9885-0.41921.3572-0.88310.26180.5731-0.61060.05971.4544-0.46881.35530.0853-0.19330.9865-0.16930.725626.4684-41.5479-90.0219
84-1.3904-1.14671.3941-1.2718-1.28586.1615-0.52520.2558-0.0285-0.1334-0.405-0.21680.2755-0.94740.39261.7405-0.1118-0.03131.1574-0.0590.659131.1938-38.9023-69.0912
852.5342.4878-3.62853.1057-3.85065.6720.3909-0.6830.21960.0094-0.3431-0.2381-0.33370.0663-0.08690.89550.1184-0.04490.9756-0.10650.480238.922-25.882-37.2171
862.5453-0.5909-1.21285.399-1.67662.8528-0.07480.119-0.6049-0.63190.36670.71920.763-1.0124-0.07090.89470.0241-0.191.16790.00390.691923.351737.2939-25.125
870.71171.1325-0.70760.3901-3.50472.5059-0.06440.3205-0.1622-0.0344-0.23740.32320.6264-2.8159-0.13420.880.16240.00631.0874-0.03770.52220.992633.9708-0.8769
889.2385-2.18010.1143.6334.5055.09590.45830.5551-0.4481.5128-0.0004-0.0980.74080.815-0.31031.1413-0.2067-0.06841.13420.13740.527232.957622.896227.9723
893.1216-2.78373.23793.7284-1.08367.8557-0.7594-0.97320.93290.05770.381-0.2454-0.2469-0.52681.39011.7142-0.4354-0.42042.0971-0.63882.885290.863765.867513.7824
908.8221-5.90041.94736.75345.42611.9936-0.399-0.24890.32970.137-0.239-0.8690.0292-0.52571.27371.5509-0.16010.11872.28020.27532.569295.126649.60514.4959
913.7445-0.3299-1.17971.04440.70153.55790.5233-0.76751.7228-0.8301-0.0282-1.75-0.61731.6841-0.18361.3165-0.54620.09791.65290.10751.590971.142360.63729.0641
923.3146-0.0368-0.55212.09812.00944.71930.48170.6995-0.362-0.4554-1.26910.0058-2.284-2.9050.52631.1623-0.0666-0.04870.92740.01560.761337.08655.29680.931
932.3682-0.5801-3.76810.88180.36286.5696-1.2114-4.01861.4602-0.46341.3084-0.29452.27823.0374-0.3571.3416-0.09540.02533.50460.06892.774696.3943-38.155816.1275
941.6987-0.583-1.8455-0.0196-1.09252.20740.4707-0.10490.4017-0.7419-0.1948-2.0068-0.53691.30830.20621.1321-0.52760.05961.4488-0.22452.133273.6437-25.866510.0368
952.9342-0.3857-1.48982.6229-0.98653.3122-0.31330.2695-0.5143-0.955-0.7022-0.192-1.8594-1.3637-0.01441.1483-0.12340.00731.047-0.00330.83739.3751-28.28251.0859
963.8699-0.6611.04892.2393-1.05752.6919-0.3849-0.51410.37290.0596-0.00360.5135-0.2694-0.68690.41491.28520.0839-0.20011.0473-0.02640.749750.85642.570348.8693
97-0.26350.81072.2528-0.3824-2.64092.5233-0.5198-0.0620.22380.0784-0.53450.41180.658-0.1830.19281.1710.0438-0.07491.0031-0.08640.652344.82312.011624.4548
984.44041.3947-0.70260.82320.21639.7870.235-0.10520.04260.3955-0.37090.3440.3869-0.90520.35240.84190.04580.08161.0673-0.03720.607741.19415.7535-6.5967
992.17871.69991.9572.32386.46672.22490.75040.1086-1.4648-0.5168-0.94321.2444-2.16831.29070.04761.0535-0.1153-0.0010.94370.23920.73433.473421.0986-3.5965
1003.55730.8313-2.10094.7511-3.22535.3210.3761-0.26110.8731-0.176-0.4899-0.4747-0.32910.62450.31661.12750.07040.13591.37890.01411.013953.98250.8081113.7868
1010.6612-0.968-3.88860.8013-2.09056.9157-0.4069-0.43920.08390.5554-0.1906-0.2027-1.7717-0.90580.16791.0014-0.0225-0.05241.2402-0.02840.619856.75655.131489.5589
1022.4745-0.80624.7593.64950.66772.7425-0.52080.40580.35-0.41120.4264-0.28040.27910.32270.47211.0284-0.02010.13390.9032-0.03140.585672.93983.56460.5564
1034.9683-1.09792.24871.885-2.25322.7635-1.3837-0.15622.4037-2.0427-0.3566-1.1911-2.49970.54391.4272.2034-0.3749-0.30331.20050.1322.379415.216215.65198.1736
1040.34121.27051.52994.33560.01082.3475-0.4351-0.25950.87931.75670.7188-2.5115-0.84691.4824-0.06731.051-0.46180.03561.7715-0.08221.891913.6767-9.59714.0779
1051.9038-0.9951-2.01374.49261.28283.2163-1.0106-0.62040.06241.20950.25960.11282.10041.19820.27780.78620.1289-0.05160.9911-0.06770.7669-6.5551-37.625422.3875
1066.2791-1.6012-1.18439.4074-2.3943.89140.2297-0.54960.96280.0243-0.869-2.6057-0.17721.1190.72821.0095-0.33890.07531.8027-0.02091.560182.786351.498714.7198
1077.55862.3685-1.48122.28880.39223.8263-0.08841.55090.159-2.37330.6379-1.63381.0947-0.7161-0.95922.3162-0.28810.21441.1076-0.08331.347769.67411.982322.0003
1082.25824.00521.1689.2449-3.4978.05111.39390.1858-2.48931.46420.0122-1.21741.591-0.3384-0.42551.51860.4237-0.33381.6810.08831.442232.5454-49.2666-75.4257
1091.8219-0.0662-0.20480.94691.795-0.3519-0.20760.01480.8503-0.18190.1825-0.29690.2225-0.2827-0.06561.51210.3829-0.04451.11190.09420.972911.893-17.9195-80.9461
1107.9863-0.33791.63237.31921.35936.39880.2213-0.91061.32620.95210.4126-0.5176-3.85761.7416-0.21691.623-0.33890.16961.0884-0.24981.03227.0753-29.125152.8817
1111.25720.1347-0.30784.1296-0.57582.8021-0.00420.2601-0.4170.2501-0.0750.39820.54680.17890.10610.9375-0.1131-0.04610.73470.02310.700911.9471-63.661252.4036
1122.20940.6355-0.71334.84760.53012.98130.4405-0.7801-0.86920.1149-0.2118-0.2409-0.15541.99460.00370.8336-0.0129-0.04881.1164-0.24210.523150.0534-2.3455-16.5046
113-0.25240.00220.18490.43562.50612.4795-0.3914-0.1839-0.189-0.1009-0.277-0.00791.18362.2709-0.06040.94290.01770.04691.2352-0.01070.636653.635-6.8457-41.5786
1146.65252.39631.35133.0336-3.7555.34320.312-0.5869-0.589-1.5648-0.2316-0.02310.4364-0.6651-0.23041.26790.1868-0.1651.0364-0.06820.690141.5763-19.2543-70.028
1154.3772-0.6362-3.30698.58395.66472.3766-0.06070.457-0.1232-0.2374-0.20650.80530.6482-2.70970.05940.80360.0103-0.04191.37310.07120.670913.2277-42.104-12.285
1168.91060.52950.19420.2477-2.08570.6231.2453-0.3181-0.0033-0.7897-0.2958-0.1395-0.99950.2823-0.42361.0492-0.09940.05011.2709-0.15890.561638.5659-42.6665-16.8467
1173.46761.21671.17513.2913-0.15343.69620.2041-0.4367-1.49190.009-0.1202-1.3117-1.10170.7011-0.00880.6787-0.16430.01121.52840.13721.410869.155-41.8003-4.9519
1187.15881.82210.73586.39132.23922.08020.6156-0.3142-0.73080.0232-0.19030.22080.1479-0.3918-0.15331.173-0.2399-0.01420.9087-0.01630.800445.5515-8.12935.2717
1193.99495.0512.18448.87052.22312.26360.06440.27850.59391.57210.4262-0.1634-0.41420.8382-0.08611.5358-0.19690.02270.9193-0.0020.760658.607713.770542.4157
1201.1024-0.8093-1.40331.6968-1.63112.47491.0388-0.76120.67080.0858-0.2909-0.2718-0.54690.5788-0.49241.8277-0.3613-0.18320.991-0.01211.853271.488843.450433.5318
1214.8938-2.08340.73124.9833-6.00578.62050.1921-0.1688-0.3613-0.3120.1472-0.5738-0.19620.7035-0.52180.75180.0247-0.08841.6025-0.10610.614261.9087-1.1223-31.404
1228.19530.8832-0.37481.15060.35612.50071.0313-0.59210.25330.427-0.4670.4558-0.33260.0341-0.50960.7331-0.01280.0551.06250.08320.614230.8923-1.6451-25.0052
1232.27865.22511.02792.0104-0.09327.024-0.79830.5836-0.11541.31541.72172.4385-0.895-0.7634-1.20690.70740.3064-0.08491.5803-0.30611.66395.65914.2013-40.7135
1242.8751-3.2684.65283.8672-4.86597.5131.12181.03330.87240.2005-1.38040.42290.03051.48991.4331.9877-0.12510.43532.74930.27682.396196.0558-25.761616.7237
1253.758-3.46682.67937.6217-0.08322.883-0.1908-0.33690.91740.7991-0.91440.5711-0.61160.40881.20431.6905-0.29780.04042.4989-0.12852.401381.2689-16.101613.9551
1265.45931.327-2.3621.4631-2.33733.61751.3404-1.30411.8638-0.1718-0.4378-0.2776-2.05390.4836-0.57841.9028-0.5010.15861.8363-0.69542.239480.5256-19.023922.8139
1274.87572.8219-2.38496.8383-5.28744.6872-0.3904-0.5805-0.3242-0.4178-0.4695-1.46531.46010.48840.8351.4731-0.34540.23221.8164-0.10221.459984.473-46.129116.5132
1287.34372.4065-3.29315.2732-2.6196.8138-2.01510.0195-0.8428-2.72530.3415-1.11722.13060.21491.68043.65380.24911.281.6340.03482.215175.947-75.687813.9908
1298.01682.4544-0.75035.4269-4.90367.8692-0.3713-0.3291-0.1382-3.224-0.06881.74781.4018-1.4930.90592.0628-0.2056-0.29061.39620.19541.149564.2495-72.921926.9935
1303.07674.96292.43117.16334.02414.8226-0.0937-0.28240.6644-0.426-0.93561.60810.66451.29150.76961.59820.58120.08342.17470.21552.0512-10.514723.2291-57.1064
1310.9787-2.11970.47012.8332.06894.8234-0.4989-0.12910.50381.13650.6224-0.10910.9645-0.39730.06141.19630.06830.13821.45060.15261.6117-3.973-14.0507-59.6776
1326.76413.67632.57078.03660.35085.582-0.72091.38281.6784-0.78260.5320.9833-1.8191-0.9540.68771.4550.1349-0.00381.46750.26521.322148.614710.8524100.4911
1331.61380.779-1.27122.40680.75350.8672-0.4571-0.6067-0.40281.22350.4745-0.89840.74770.2860.05481.53810.436-0.10741.17330.01231.231765.4056-22.9725104.7226
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 2 through 24 )A2 - 24
2X-RAY DIFFRACTION2chain 'A' and (resid 25 through 43 )A25 - 43
3X-RAY DIFFRACTION3chain 'A' and (resid 44 through 53 )A44 - 53
4X-RAY DIFFRACTION4chain 'A' and (resid 54 through 76 )A54 - 76
5X-RAY DIFFRACTION5chain 'A' and (resid 77 through 92 )A77 - 92
6X-RAY DIFFRACTION6chain 'B' and (resid 2 through 24 )B2 - 24
7X-RAY DIFFRACTION7chain 'B' and (resid 25 through 43 )B25 - 43
8X-RAY DIFFRACTION8chain 'B' and (resid 44 through 58 )B44 - 58
9X-RAY DIFFRACTION9chain 'B' and (resid 59 through 92 )B59 - 92
10X-RAY DIFFRACTION10chain 'C' and (resid 1 through 24 )C1 - 24
11X-RAY DIFFRACTION11chain 'C' and (resid 25 through 43 )C25 - 43
12X-RAY DIFFRACTION12chain 'C' and (resid 44 through 92 )C44 - 92
13X-RAY DIFFRACTION13chain 'D' and (resid 2 through 6 )D2 - 6
14X-RAY DIFFRACTION14chain 'D' and (resid 7 through 24 )D7 - 24
15X-RAY DIFFRACTION15chain 'D' and (resid 25 through 43 )D25 - 43
16X-RAY DIFFRACTION16chain 'D' and (resid 44 through 48 )D44 - 48
17X-RAY DIFFRACTION17chain 'D' and (resid 49 through 53 )D49 - 53
18X-RAY DIFFRACTION18chain 'D' and (resid 54 through 66 )D54 - 66
19X-RAY DIFFRACTION19chain 'D' and (resid 67 through 76 )D67 - 76
20X-RAY DIFFRACTION20chain 'D' and (resid 77 through 85 )D77 - 85
21X-RAY DIFFRACTION21chain 'D' and (resid 86 through 92 )D86 - 92
22X-RAY DIFFRACTION22chain 'E' and (resid 2 through 6 )E2 - 6
23X-RAY DIFFRACTION23chain 'E' and (resid 7 through 24 )E7 - 24
24X-RAY DIFFRACTION24chain 'E' and (resid 25 through 43 )E25 - 43
25X-RAY DIFFRACTION25chain 'E' and (resid 44 through 58 )E44 - 58
26X-RAY DIFFRACTION26chain 'E' and (resid 59 through 66 )E59 - 66
27X-RAY DIFFRACTION27chain 'E' and (resid 67 through 76 )E67 - 76
28X-RAY DIFFRACTION28chain 'E' and (resid 77 through 85 )E77 - 85
29X-RAY DIFFRACTION29chain 'E' and (resid 86 through 92 )E86 - 92
30X-RAY DIFFRACTION30chain 'F' and (resid 2 through 24 )F2 - 24
31X-RAY DIFFRACTION31chain 'F' and (resid 25 through 43 )F25 - 43
32X-RAY DIFFRACTION32chain 'F' and (resid 44 through 53 )F44 - 53
33X-RAY DIFFRACTION33chain 'F' and (resid 54 through 92 )F54 - 92
34X-RAY DIFFRACTION34chain 'G' and (resid 2 through 24 )G2 - 24
35X-RAY DIFFRACTION35chain 'G' and (resid 25 through 43 )G25 - 43
36X-RAY DIFFRACTION36chain 'G' and (resid 44 through 53 )G44 - 53
37X-RAY DIFFRACTION37chain 'G' and (resid 54 through 92 )G54 - 92
38X-RAY DIFFRACTION38chain 'H' and (resid 2 through 6 )H2 - 6
39X-RAY DIFFRACTION39chain 'H' and (resid 7 through 24 )H7 - 24
40X-RAY DIFFRACTION40chain 'H' and (resid 25 through 43 )H25 - 43
41X-RAY DIFFRACTION41chain 'H' and (resid 44 through 58 )H44 - 58
42X-RAY DIFFRACTION42chain 'H' and (resid 59 through 76 )H59 - 76
43X-RAY DIFFRACTION43chain 'H' and (resid 77 through 85 )H77 - 85
44X-RAY DIFFRACTION44chain 'H' and (resid 86 through 92 )H86 - 92
45X-RAY DIFFRACTION45chain 'I' and (resid 5 through 24 )I5 - 24
46X-RAY DIFFRACTION46chain 'I' and (resid 25 through 43 )I25 - 43
47X-RAY DIFFRACTION47chain 'I' and (resid 44 through 92 )I44 - 92
48X-RAY DIFFRACTION48chain 'J' and (resid 2 through 24 )J2 - 24
49X-RAY DIFFRACTION49chain 'J' and (resid 25 through 53 )J25 - 53
50X-RAY DIFFRACTION50chain 'J' and (resid 54 through 85 )J54 - 85
51X-RAY DIFFRACTION51chain 'J' and (resid 86 through 92 )J86 - 92
52X-RAY DIFFRACTION52chain 'K' and (resid 2 through 43 )K2 - 43
53X-RAY DIFFRACTION53chain 'K' and (resid 44 through 58 )K44 - 58
54X-RAY DIFFRACTION54chain 'K' and (resid 59 through 85 )K59 - 85
55X-RAY DIFFRACTION55chain 'K' and (resid 86 through 92 )K86 - 92
56X-RAY DIFFRACTION56chain 'L' and (resid 2 through 43 )L2 - 43
57X-RAY DIFFRACTION57chain 'L' and (resid 44 through 92 )L44 - 92
58X-RAY DIFFRACTION58chain 'M' and (resid 3 through 24 )M3 - 24
59X-RAY DIFFRACTION59chain 'M' and (resid 25 through 42 )M25 - 42
60X-RAY DIFFRACTION60chain 'M' and (resid 43 through 57 )M43 - 57
61X-RAY DIFFRACTION61chain 'M' and (resid 58 through 66 )M58 - 66
62X-RAY DIFFRACTION62chain 'M' and (resid 67 through 76 )M67 - 76
63X-RAY DIFFRACTION63chain 'M' and (resid 77 through 85 )M77 - 85
64X-RAY DIFFRACTION64chain 'M' and (resid 86 through 92 )M86 - 92
65X-RAY DIFFRACTION65chain 'N' and (resid 2 through 43 )N2 - 43
66X-RAY DIFFRACTION66chain 'N' and (resid 44 through 76 )N44 - 76
67X-RAY DIFFRACTION67chain 'N' and (resid 77 through 92 )N77 - 92
68X-RAY DIFFRACTION68chain 'O' and (resid 2 through 24 )O2 - 24
69X-RAY DIFFRACTION69chain 'O' and (resid 25 through 53 )O25 - 53
70X-RAY DIFFRACTION70chain 'O' and (resid 54 through 92 )O54 - 92
71X-RAY DIFFRACTION71chain 'P' and (resid 2 through 43 )P2 - 43
72X-RAY DIFFRACTION72chain 'P' and (resid 44 through 58 )P44 - 58
73X-RAY DIFFRACTION73chain 'P' and (resid 59 through 92 )P59 - 92
74X-RAY DIFFRACTION74chain 'Q' and (resid 2 through 58 )Q2 - 58
75X-RAY DIFFRACTION75chain 'Q' and (resid 59 through 76 )Q59 - 76
76X-RAY DIFFRACTION76chain 'Q' and (resid 77 through 92 )Q77 - 92
77X-RAY DIFFRACTION77chain 'R' and (resid 2 through 24 )R2 - 24
78X-RAY DIFFRACTION78chain 'R' and (resid 25 through 66 )R25 - 66
79X-RAY DIFFRACTION79chain 'R' and (resid 67 through 92 )R67 - 92
80X-RAY DIFFRACTION80chain 'a' and (resid 3 through 24 )a3 - 24
81X-RAY DIFFRACTION81chain 'a' and (resid 25 through 73 )a25 - 73
82X-RAY DIFFRACTION82chain 'a' and (resid 74 through 89 )a74 - 89
83X-RAY DIFFRACTION83chain 'b' and (resid 3 through 25 )b3 - 25
84X-RAY DIFFRACTION84chain 'b' and (resid 26 through 64 )b26 - 64
85X-RAY DIFFRACTION85chain 'b' and (resid 65 through 89 )b65 - 89
86X-RAY DIFFRACTION86chain 'c' and (resid 3 through 30 )c3 - 30
87X-RAY DIFFRACTION87chain 'c' and (resid 31 through 64 )c31 - 64
88X-RAY DIFFRACTION88chain 'c' and (resid 65 through 89 )c65 - 89
89X-RAY DIFFRACTION89chain 'd' and (resid 5 through 12 )d5 - 12
90X-RAY DIFFRACTION90chain 'd' and (resid 13 through 25 )d13 - 25
91X-RAY DIFFRACTION91chain 'd' and (resid 26 through 65 )d26 - 65
92X-RAY DIFFRACTION92chain 'd' and (resid 66 through 89 )d66 - 89
93X-RAY DIFFRACTION93chain 'e' and (resid 11 through 25 )e11 - 25
94X-RAY DIFFRACTION94chain 'e' and (resid 26 through 65 )e26 - 65
95X-RAY DIFFRACTION95chain 'e' and (resid 66 through 89 )e66 - 89
96X-RAY DIFFRACTION96chain 'f' and (resid 5 through 30 )f5 - 30
97X-RAY DIFFRACTION97chain 'f' and (resid 31 through 64 )f31 - 64
98X-RAY DIFFRACTION98chain 'f' and (resid 65 through 73 )f65 - 73
99X-RAY DIFFRACTION99chain 'f' and (resid 74 through 89 )f74 - 89
100X-RAY DIFFRACTION100chain 'g' and (resid 4 through 30 )g4 - 30
101X-RAY DIFFRACTION101chain 'g' and (resid 31 through 64 )g31 - 64
102X-RAY DIFFRACTION102chain 'g' and (resid 65 through 89 )g65 - 89
103X-RAY DIFFRACTION103chain 'h' and (resid 11 through 24 )h11 - 24
104X-RAY DIFFRACTION104chain 'h' and (resid 25 through 65 )h25 - 65
105X-RAY DIFFRACTION105chain 'h' and (resid 66 through 89 )h66 - 89
106X-RAY DIFFRACTION106chain 'i' and (resid 7 through 65 )i7 - 65
107X-RAY DIFFRACTION107chain 'i' and (resid 66 through 89 )i66 - 89
108X-RAY DIFFRACTION108chain 'j' and (resid 7 through 30 )j7 - 30
109X-RAY DIFFRACTION109chain 'j' and (resid 31 through 89 )j31 - 89
110X-RAY DIFFRACTION110chain 'k' and (resid 5 through 30 )k5 - 30
111X-RAY DIFFRACTION111chain 'k' and (resid 31 through 89 )k31 - 89
112X-RAY DIFFRACTION112chain 'l' and (resid 4 through 30 )l4 - 30
113X-RAY DIFFRACTION113chain 'l' and (resid 31 through 65 )l31 - 65
114X-RAY DIFFRACTION114chain 'l' and (resid 66 through 89 )l66 - 89
115X-RAY DIFFRACTION115chain 'm' and (resid 5 through 31 )m5 - 31
116X-RAY DIFFRACTION116chain 'm' and (resid 32 through 64 )m32 - 64
117X-RAY DIFFRACTION117chain 'm' and (resid 65 through 89 )m65 - 89
118X-RAY DIFFRACTION118chain 'n' and (resid 5 through 30 )n5 - 30
119X-RAY DIFFRACTION119chain 'n' and (resid 31 through 65 )n31 - 65
120X-RAY DIFFRACTION120chain 'n' and (resid 66 through 89 )n66 - 89
121X-RAY DIFFRACTION121chain 'o' and (resid 7 through 30 )o7 - 30
122X-RAY DIFFRACTION122chain 'o' and (resid 31 through 73 )o31 - 73
123X-RAY DIFFRACTION123chain 'o' and (resid 74 through 89 )o74 - 89
124X-RAY DIFFRACTION124chain 'p' and (resid 3 through 12 )p3 - 12
125X-RAY DIFFRACTION125chain 'p' and (resid 13 through 24 )p13 - 24
126X-RAY DIFFRACTION126chain 'p' and (resid 25 through 31 )p25 - 31
127X-RAY DIFFRACTION127chain 'p' and (resid 32 through 64 )p32 - 64
128X-RAY DIFFRACTION128chain 'p' and (resid 65 through 73 )p65 - 73
129X-RAY DIFFRACTION129chain 'p' and (resid 74 through 89 )p74 - 89
130X-RAY DIFFRACTION130chain 'q' and (resid 4 through 30 )q4 - 30
131X-RAY DIFFRACTION131chain 'q' and (resid 31 through 89 )q31 - 89
132X-RAY DIFFRACTION132chain 'r' and (resid 5 through 30 )r5 - 30
133X-RAY DIFFRACTION133chain 'r' and (resid 31 through 89 )r31 - 89

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万見について

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お知らせ

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2022年2月9日: EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

  • EMDBのヘッダファイルのバージョン3が、公式のフォーマットとなりました。
  • これまでは公式だったバージョン1.9は、アーカイブから削除されます。

関連情報:EMDBヘッダ

外部リンク:wwPDBはEMDBデータモデルのバージョン3へ移行します

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2020年8月12日: 新型コロナ情報

新型コロナ情報

URL: https://pdbj.org/emnavi/covid19.php

新ページ: EM Navigatorに新型コロナウイルスの特設ページを開設しました。

関連情報:Covid-19情報 / 2020年3月5日: 新型コロナウイルスの構造データ

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2020年3月5日: 新型コロナウイルスの構造データ

新型コロナウイルスの構造データ

関連情報:万見生物種 / 2020年8月12日: 新型コロナ情報

外部リンク:COVID-19特集ページ - PDBj / 今月の分子2020年2月：コロナウイルスプロテーアーゼ

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2019年1月31日: EMDBのIDの桁数の変更

EMDBのIDの桁数の変更

  • EMDBエントリに付与されているアクセスコード(EMDB-ID)は4桁の数字(例、EMD-1234)でしたが、間もなく枯渇します。これまでの4桁のID番号は4桁のまま変更されませんが、4桁の数字を使い切った後に発行されるIDは5桁以上の数字(例、EMD-12345)になります。5桁のIDは2019年の春頃から発行される見通しです。
  • EM Navigator/万見では、接頭語「EMD-」は省略されています。

関連情報:Q: 「EMD」とは何ですか？ / 万見/EM NavigatorにおけるID/アクセスコードの表記

外部リンク:EMDB Accession Codes are Changing Soon! / PDBjへお問い合わせ

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2017年7月12日: PDB大規模アップデート

PDB大規模アップデート

  • 新バージョンのPDBx/mmCIF辞書形式に基づくデータがリリースされました。
  • 今回の更新はバージョン番号が4から5になる大規模なもので、全エントリデータの書き換えが行われる「Remediation」というアップデートに該当します。
  • このバージョンアップで、電子顕微鏡の実験手法に関する多くの項目の書式が改定されました(例：em_softwareなど)。
  • EM NavigatorとYorodumiでも、この改定に基づいた表示内容になります。

外部リンク:wwPDB Remediation / OneDepデータ基準に準拠した、より強化された内容のモデル構造ファイルが、PDBアーカイブで公開されました。

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万見 (Yorodumi)

幾万の構造データを、幾万の視点から

  • 万見(Yorodumi)は、EMDB/PDB/SASBDBなどの構造データを閲覧するためのページです。
  • EM Navigatorの詳細ページの後継、Omokage検索のフロントエンドも兼ねています。

関連情報:EMDB / PDB / SASBDB / 3つのデータバンクの比較 / 万見検索 / 2016年8月31日: 新しいEM Navigatorと万見 / 万見文献 / Jmol/JSmol / 機能・相同性情報 / 新しいEM Navigatorと万見の変更点

他の情報も見る