[日本語] English
万見
- PDB-8c3v: SARS-CoV-2 Delta-RBD complexed with BA.2-13 Fab and C1 nanobody -

+
データを開く


IDまたはキーワード:

読み込み中...

-
基本情報

登録情報
データベース: PDB / ID: 8c3v
タイトルSARS-CoV-2 Delta-RBD complexed with BA.2-13 Fab and C1 nanobody
要素
  • BA.2-13 heavy chain
  • BA.2-13 light chain
  • Nanobody C1
  • Spike protein S1
キーワードVIRAL PROTEIN / SARS-CoV-2 / BA.2 mAb / RBD / BA.2-13 / BA.2-36 / VIRAL PROTEIN/Immune system
機能・相同性
機能・相同性情報


Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / symbiont-mediated-mediated suppression of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / entry receptor-mediated virion attachment to host cell ...Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / symbiont-mediated-mediated suppression of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / entry receptor-mediated virion attachment to host cell / membrane fusion / Attachment and Entry / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / positive regulation of viral entry into host cell / receptor-mediated virion attachment to host cell / host cell surface receptor binding / symbiont-mediated suppression of host innate immune response / receptor ligand activity / endocytosis involved in viral entry into host cell / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / SARS-CoV-2 activates/modulates innate and adaptive immune responses / host cell plasma membrane / virion membrane / identical protein binding / membrane / plasma membrane
類似検索 - 分子機能
Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal / Spike glycoprotein, betacoronavirus / Spike glycoprotein, N-terminal domain superfamily / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus ...Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV-2 / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal / Spike glycoprotein, betacoronavirus / Spike glycoprotein, N-terminal domain superfamily / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Betacoronavirus spike glycoprotein S1, receptor binding / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like / Betacoronavirus-like spike glycoprotein S1, N-terminal / Spike glycoprotein S2, coronavirus, heptad repeat 1 / Spike glycoprotein S2, coronavirus, heptad repeat 2 / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 1 (HR1) region profile. / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 2 (HR2) region profile. / Spike glycoprotein S2 superfamily, coronavirus / Spike glycoprotein S2, coronavirus / Coronavirus spike glycoprotein S2 / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
類似検索 - ドメイン・相同性
Spike glycoprotein
類似検索 - 構成要素
生物種Homo sapiens (ヒト)
Severe acute respiratory syndrome coronavirus 2 (ウイルス)
Lama glama (ラマ)
手法X線回折 / シンクロトロン / 分子置換 / 解像度: 2.74 Å
データ登録者Zhou, D. / Ren, J. / Stuart, D.I.
資金援助 英国, 2件
組織認可番号国
CAMS Innovation Fund for Medical Sciences (CIFMS)2018-I2M-2-002 英国
Medical Research Council (MRC, United Kingdom)MR/N00065X/1 英国
引用ジャーナル: Cell Rep / 年: 2023
タイトル: Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses.
著者: Aiste Dijokaite-Guraliuc / Raksha Das / Daming Zhou / Helen M Ginn / Chang Liu / Helen M E Duyvesteyn / Jiandong Huo / Rungtiwa Nutalai / Piyada Supasa / Muneeswaran Selvaraj / Thushan I de ...著者: Aiste Dijokaite-Guraliuc / Raksha Das / Daming Zhou / Helen M Ginn / Chang Liu / Helen M E Duyvesteyn / Jiandong Huo / Rungtiwa Nutalai / Piyada Supasa / Muneeswaran Selvaraj / Thushan I de Silva / Megan Plowright / Thomas A H Newman / Hailey Hornsby / Alexander J Mentzer / Donal Skelly / Thomas G Ritter / Nigel Temperton / Paul Klenerman / Eleanor Barnes / Susanna J Dunachie / / Cornelius Roemer / Thomas P Peacock / Neil G Paterson / Mark A Williams / David R Hall / Elizabeth E Fry / Juthathip Mongkolsapaya / Jingshan Ren / David I Stuart / Gavin R Screaton /
要旨: In November 2021, Omicron BA.1, containing a raft of new spike mutations, emerged and quickly spread globally. Intense selection pressure to escape the antibody response produced by vaccines or ...In November 2021, Omicron BA.1, containing a raft of new spike mutations, emerged and quickly spread globally. Intense selection pressure to escape the antibody response produced by vaccines or severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection then led to a rapid succession of Omicron sub-lineages with waves of BA.2 and then BA.4/5 infection. Recently, many variants have emerged such as BQ.1 and XBB, which carry up to 8 additional receptor-binding domain (RBD) amino acid substitutions compared with BA.2. We describe a panel of 25 potent monoclonal antibodies (mAbs) generated from vaccinees suffering BA.2 breakthrough infections. Epitope mapping shows potent mAb binding shifting to 3 clusters, 2 corresponding to early-pandemic binding hotspots. The RBD mutations in recent variants map close to these binding sites and knock out or severely knock down neutralization activity of all but 1 potent mAb. This recent mAb escape corresponds with large falls in neutralization titer of vaccine or BA.1, BA.2, or BA.4/5 immune serum.
履歴
登録2022年12月28日登録サイト: PDBE / 処理サイト: PDBE
改定 1.02023年3月22日Provider: repository / タイプ: Initial release
改定 1.12023年4月12日Group: Database references / カテゴリ: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name
改定 1.22024年2月7日Group: Data collection / Refinement description
カテゴリ: chem_comp_atom / chem_comp_bond / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_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_seq_id
改定 1.32024年11月13日Group: Structure summary
カテゴリ: pdbx_entry_details / pdbx_modification_feature
Item: _pdbx_entry_details.has_protein_modification

-
構造の表示

構造ビューア分子:
MolmilJmol/JSmol

ダウンロードとリンク

-
集合体

登録構造単位
H: BA.2-13 heavy chain
L: BA.2-13 light chain
R: Spike protein S1
I: Nanobody C1
X: Spike protein S1
J: Nanobody C1
Y: Spike protein S1
K: Nanobody C1
A: BA.2-13 heavy chain
B: BA.2-13 light chain
C: BA.2-13 heavy chain
D: BA.2-13 light chain
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)260,97433
ポリマ－256,53412
非ポリマー4,44021
水00
1
H: BA.2-13 heavy chain
L: BA.2-13 light chain
R: Spike protein S1
I: Nanobody C1
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)86,98711
ポリマ－85,5114
非ポリマー1,4757
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
2
X: Spike protein S1
J: Nanobody C1
A: BA.2-13 heavy chain
B: BA.2-13 light chain
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)87,01912
ポリマ－85,5114
非ポリマー1,5088
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
3
Y: Spike protein S1
K: Nanobody C1
C: BA.2-13 heavy chain
D: BA.2-13 light chain
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)86,96910
ポリマ－85,5114
非ポリマー1,4576
水0
タイプ名称対称操作数
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)105.925, 160.817, 172.455
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2
非結晶学的対称性 (NCS)NCSドメイン:
IDEns-ID詳細
d_1ens_1(heavy chain / chain "A" / chain "I" and (resid...
d_2ens_1(heavy chain / chain "C" and (resid 1 through 29 or resid 31 through 227))
d_1ens_2(light chain / chain "B" / chain "J" and (resid 1 through 79 or resid 82 through 212))
d_2ens_2(light chain / chain "D" / chain "L" (resid 1 through 79 or resid 82 through 212))
d_1ens_3(nanobody / chain "I" / chain "D" and resid 1 through 124)
d_2ens_3(nanobody / chain "J" / chain "F" and resid 1 through 124)
d_3ens_3(nanobody / chain "K" / chain "H" and resid 1 through 124)

NCSドメイン領域:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11ens_1GLNGLNPHEPHEAI1 - 291 - 29
d_12ens_1TYRTYRSERSERAI31 - 14031 - 140
d_13ens_1GLYGLYLYSLYSAI147 - 227147 - 227
d_21ens_1GLNGLNPHEPHECK1 - 291 - 29
d_22ens_1TYRTYRLYSLYSCK31 - 22731 - 227
d_11ens_2ASPASPGLNGLNBJ1 - 791 - 79
d_12ens_2ASPASPGLUGLUBJ82 - 21282 - 212
d_21ens_2ASPASPGLNGLNDL1 - 791 - 79
d_22ens_2ASPASPGLUGLUDL82 - 21282 - 212
d_11ens_3GLNGLNSERSERID1 - 1241 - 124
d_21ens_3GLNGLNSERSERJF1 - 1241 - 124
d_31ens_3GLNGLNSERSERKH1 - 1241 - 124

NCSアンサンブル:
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixベクター
1given(-0.390088657649, -0.895043185911, -0.216167838791), (0.917623294886, -0.397302321476, -0.0108790639632), (-0.0761467521106, -0.202604443937, 0.976295606586)85.1058415948, 41.8268933262, 13.0627754488
2given(-0.387362626111, -0.908699747692, -0.155611581949), (0.920174930449, -0.391481455569, -0.00451301651068), (-0.0568180716401, -0.144938050524, 0.987808011835)80.5800417858, 40.815606715, 11.2345189673
3given(-0.485415639762, -0.844666718946, -0.225631980403), (0.869036955581, -0.494388362632, -0.0188392337531), (-0.095636951587, -0.205227388036, 0.974030437251)87.6891720765, 46.3439099929, 13.0035244689
4given(-0.469219620972, 0.880931817076, -0.0615798746203), (-0.842310455544, -0.467410575805, -0.268403521041), (-0.265228286154, -0.0740708261664, 0.961336293362)1.36758717374, 99.9777946114, 12.5214265232

-
要素

-
タンパク質 , 1種, 3分子 RXY

#3: タンパク質 Spike protein S1


分子量: 22935.734 Da / 分子数: 3 / 由来タイプ: 組換発現
由来: (組換発現) Severe acute respiratory syndrome coronavirus 2 (ウイルス)
遺伝子: S, 2 / 発現宿主: Homo sapiens (ヒト) / 参照: UniProt: P0DTC2

-
抗体 , 3種, 9分子 HACLBDIJK

#1: 抗体 BA.2-13 heavy chain


分子量: 24766.760 Da / 分子数: 3 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 発現宿主: Homo sapiens (ヒト)
#2: 抗体 BA.2-13 light chain


分子量: 23149.682 Da / 分子数: 3 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 発現宿主: Homo sapiens (ヒト)
#4: 抗体 Nanobody C1


分子量: 14659.114 Da / 分子数: 3 / 由来タイプ: 組換発現 / 由来: (組換発現) Lama glama (ラマ) / 発現宿主: Escherichia coli (大腸菌)

-
糖 , 3種, 3分子

#5: 多糖 alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


タイプ: oligosaccharide / 分子量: 894.823 Da / 分子数: 1 / 由来タイプ: 組換発現
記述子タイププログラム
DManpa1-3DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/4,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-4/a4-b1_a6-e1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#6: 多糖 beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


タイプ: oligosaccharide / 分子量: 732.682 Da / 分子数: 1 / 由来タイプ: 組換発現
記述子タイププログラム
DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1221m-1a_1-5]/1-1-2-3/a4-b1_a6-d1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#7: 多糖 alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


タイプ: oligosaccharide / 分子量: 894.823 Da / 分子数: 1 / 由来タイプ: 組換発現
記述子タイププログラム
DManpa1-6DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/4,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-4/a4-b1_a6-e1_b4-c1_c6-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(6+1)][a-D-Manp]{}}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE

-
非ポリマー , 3種, 18分子

#8: 化合物
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / グリセロ-ル


分子量: 92.094 Da / 分子数: 14 / 由来タイプ: 合成 / 式: C3H8O3
#9: 化合物 ChemComp-PG0 / 2-(2-METHOXYETHOXY)ETHANOL / PEG 6000 / ジエチレングリコ-ルモノメチルエ-テル


分子量: 120.147 Da / 分子数: 2 / 由来タイプ: 合成 / 式: C5H12O3 / コメント: 阻害剤, 沈殿剤*YM
#10: 化合物 ChemComp-PG4 / TETRAETHYLENE GLYCOL / テトラエチレングリコ-ル


分子量: 194.226 Da / 分子数: 2 / 由来タイプ: 合成 / 式: C8H18O5 / コメント: 沈殿剤*YM

-
詳細

研究の焦点であるリガンドがあるかN
Has protein modificationY

-
実験情報

-
実験

実験手法: X線回折 / 使用した結晶の数: 1

-
試料調製

結晶マシュー密度: 2.86 Å3/Da / 溶媒含有率: 57.04 %
結晶化温度: 293 K / 手法: 蒸気拡散法, シッティングドロップ法 / 詳細: 0.1 M BICINE pH 8.5, 15% PEG 1,500

-
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: Diamond / ビームライン: I04 / 波長: 0.9537 Å
検出器タイプ: DECTRIS EIGER2 XE 16M / 検出器: PIXEL / 日付: 2022年10月17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: 0.9537 Å / 相対比: 1
反射解像度: 2.74→80 Å / Num. obs: 78088 / % possible obs: 100 % / 冗長度: 13.7 % / Biso Wilson estimate: 75.46 Å2 / CC1/2: 0.995 / Rmerge(I) obs: 0.257 / Rpim(I) all: 0.072 / Net I/σ(I): 7.4
反射 シェル解像度: 2.74→2.79 Å / Mean I/σ(I) obs: 0.4 / Num. unique obs: 3830 / CC1/2: 0.317

-
解析

ソフトウェア
名称バージョン分類
GDA1.20.1_4487データ収集
PHENIX1.20.1_4487精密化
xia2データ削減
xia2データスケーリング
PHASER位相決定
精密化構造決定の手法: 分子置換
開始モデル: 8BBO

8bbo


解像度: 2.74→66.87 Å / SU ML: 0.4679 / 交差検証法: FREE R-VALUE / σ(F): 1.33 / 位相誤差: 28.7877
立体化学のターゲット値: GeoStd + Monomer Library + CDL v1.2
Rfactor反射数%反射
Rfree0.2577 3933 5.05 %
Rwork0.2156 73941 -
obs0.2177 77874 99.8 %
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.1 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
原子変位パラメータBiso mean: 93.88 Å2
精密化ステップサイクル: LAST / 解像度: 2.74→66.87 Å
タンパク質核酸リガンド溶媒全体
原子数17512 0 295 0 17807
拘束条件
Refine-IDタイプDev ideal数
X-RAY DIFFRACTIONf_bond_d0.003418221
X-RAY DIFFRACTIONf_angle_d0.611424727
X-RAY DIFFRACTIONf_chiral_restr0.0442730
X-RAY DIFFRACTIONf_plane_restr0.00453161
X-RAY DIFFRACTIONf_dihedral_angle_d12.57256531
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDタイプRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS1.28114405596
ens_2d_2BX-RAY DIFFRACTIONTorsion NCS1.33216564881
ens_3d_2IX-RAY DIFFRACTIONTorsion NCS0.180100151335
ens_3d_3JX-RAY DIFFRACTIONTorsion NCS0.179976287088
LS精密化 シェル
解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.74-2.770.37531360.38252576X-RAY DIFFRACTION98.15
2.77-2.810.37941420.36672581X-RAY DIFFRACTION99.63
2.81-2.850.36861300.36042596X-RAY DIFFRACTION99.71
2.85-2.880.38351330.34822616X-RAY DIFFRACTION99.64
2.88-2.930.34691300.34682626X-RAY DIFFRACTION99.75
2.93-2.970.35861530.32412614X-RAY DIFFRACTION99.89
2.97-3.020.33891360.31952600X-RAY DIFFRACTION99.78
3.02-3.060.3281530.3112593X-RAY DIFFRACTION99.89
3.06-3.120.32981320.31522638X-RAY DIFFRACTION99.96
3.12-3.170.36641380.29892591X-RAY DIFFRACTION99.96
3.17-3.240.35421560.29542609X-RAY DIFFRACTION99.93
3.24-3.30.30251240.26642639X-RAY DIFFRACTION99.89
3.3-3.370.29021360.26742638X-RAY DIFFRACTION99.82
3.37-3.450.30571410.25732623X-RAY DIFFRACTION99.89
3.45-3.540.30841510.25152622X-RAY DIFFRACTION100
3.54-3.630.25191330.23262646X-RAY DIFFRACTION100
3.63-3.740.27031530.23012614X-RAY DIFFRACTION99.96
3.74-3.860.26871380.23342627X-RAY DIFFRACTION99.93
3.86-40.31491470.22552637X-RAY DIFFRACTION99.93
4-4.160.22681290.19282656X-RAY DIFFRACTION100
4.16-4.350.22661430.17172657X-RAY DIFFRACTION100
4.35-4.580.20191630.15892642X-RAY DIFFRACTION100
4.58-4.860.18931280.15872656X-RAY DIFFRACTION99.96
4.87-5.240.19091330.16392688X-RAY DIFFRACTION100
5.24-5.770.22611430.17442689X-RAY DIFFRACTION100
5.77-6.60.23061250.19052721X-RAY DIFFRACTION100
6.6-8.310.25331410.19942729X-RAY DIFFRACTION100
8.32-66.870.21681660.1672817X-RAY DIFFRACTION98.94
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)
10.782278733811.47116898717-1.284353310432.87665643939-2.578878995752.505719854070.316076321038-0.472347409213-0.518696503680.585807056347-0.004593153944540.3395634246140.1765393510830.0203128012636-0.06298845709060.831534331654-0.244124314007-0.03964110239790.8082058361890.1868601192290.92635170101843.789526311234.854803477674.2489450831
20.582221932868-1.117668181110.9859028327213.31980057608-1.549190132492.71586713276-0.313978511057-0.963689522287-0.1572700668010.177408336381-0.484472800216-0.9074581201580.2246736901240.1214593694220.05743461352960.7130380869860.005026828324760.08976338441430.8160494633240.02085449500090.96174737187948.074744870339.886627797674.3070270284
33.069154401151.13686854612-1.292559805385.08682191333-1.255591004670.8537412086890.08364904104370.2143933654110.6029785117581.17941416098-0.105525952972-0.135592903087-0.3247812304751.049545889520.1007132588710.295842085141-0.0645678117392-0.101125197540.748084624393-0.03089773025871.0079607453262.549192205150.216546128457.3301648716
44.335362001762.303944366953.599847226311.636376342461.393599659983.62606977038-0.041918005948-0.2423500901790.331344696624-0.092932911832-0.106026317508-0.117080005235-0.019562713492-0.287959560253-0.007418172026730.379157046540.0007420350756310.08551723068450.5225972104380.01045921223390.7662352555939.979475568645.149310335437.2626196712
50.63940094517-0.3863991198750.7255383043920.314408783809-0.6178046993590.8438966241720.2936430981640.955133251911-1.44395456978-0.213939333033-0.685414150092-1.52552272899-0.5194996049720.5842508607440.1728386094391.00174779394-0.172157158910.3024594380131.27740447789-0.2897013131481.6492383067771.859140629535.071742528527.4689711927
62.79559454220.00676048180661-0.624772393522.41627833354-0.2765666461231.39719310496-0.510010966855-0.060530153349-0.665090763155-0.1545600668610.309696812295-0.415459017633-0.1765488104210.3822786563910.04510783256690.666952149704-0.05324867002840.07201090364210.772689240782-0.1797430199150.98253841783162.262625777840.139878778233.4898618033
75.435426482830.6020977743230.01029839195881.084940241-1.868735865763.36561966392-0.09070506134880.7321720052120.493590118924-0.538897433929-0.451458700913-1.05005207386-1.141316943250.3863465114120.04857406182561.06248505699-0.2667800331580.1009911937841.023263281270.04251431342780.95578609991366.64931526947.336019551526.987638164
82.51034558512-0.5654077763190.4559979277921.14476272215-0.4834171798682.28584976867-0.08580554165920.271559391947-0.819571735862-0.1929185246410.394060711179-0.8646819464790.1010487869270.6729391328270.1251450917020.703604548746-0.1891705963820.2047101814290.971710237724-0.214233749861.2906022627868.153072598239.218687831832.9461728092
91.15736040289-1.74304889534-0.5515062561291.200122058930.158163503378-0.103415529735-0.437950269322-0.891494052583-0.07152899354480.4231657950510.4071574634520.1849764030790.4064092227720.3783356328290.1282199305730.7571549171510.2811152233620.03094349455931.005768982310.1441235983660.63151714284633.53227785012.53520194173.8433643571
103.47521470810.5867310697811.099028436862.531438185480.9490016536465.36707195692-0.251088008853-0.1461658664590.0585325766961.344224899421.026348167190.0409927079863-1.03205949914-0.07608845326990.3899940328841.709788750060.967259425197-0.02674951159111.446770855250.04739335460720.98454024075954.9253011047-1.0523369235785.2132851535
110.644727673389-0.01911926727520.2333652062230.873649816835-0.8699116207111.50628715792-0.375616716584-0.76169212644-0.1520760127150.8149698668950.393278931289-0.36973319204-0.552976886137-0.1092710580570.06754976437141.361237471320.519522346814-0.1473694389291.54272398408-0.1157107899590.86246734015961.9715627384-3.8753741997284.9249837797
121.93409108616-0.8292456107480.2732965585261.67019271766-1.059711319472.50389961423-0.144285622761-0.22181684042-0.392775873612-0.254824253127-0.130259669835-0.3985176073860.7421602082750.8488210761930.03832949807560.622914092820.1987188559630.1027199369910.8980091361910.1193079130520.7395480491641.15163595637.1230042278354.6043033189
130.4278340380460.397156749197-0.419240727290.363052143869-0.3914051745320.244809553212-0.274398159065-0.7040983552190.3819813689960.5775074003790.233961986774-0.413289076338-0.4461675840340.0974197454294-0.2214471739350.8302006832540.408109479541-0.02996407396551.180625659260.05117347405691.0714057549764.4129752771-8.5731421854673.7064792999
142.118948698320.550514582912-0.7051251248931.32166923543-0.3864611067732.94908677199-0.513937253065-0.348342848884-0.08063459772510.01161609121580.826375414942-0.4309418925450.623343495752-0.465452925670.05408812727470.8991286477450.2315768548990.0799096091880.892052956007-0.07533697794160.90478869070162.3556335212-10.730363790969.210060922
150.7979863007420.005502235670970.5865040572591.91836280688-0.3045339493681.04393962623-0.984176543955-0.785334326773-0.685584185146-0.2614475446810.552268499584-0.07998825795870.887666881693-0.398438870440.05979716314490.9360843026670.424662407320.2537294320821.16876501680.1490371938511.2245530212568.2371190906-19.814543470173.9910378275
160.724523297060.29971057273-0.3342497106350.671055045184-0.2748652276480.5681608510760.359608407505-0.271426407107-0.1745455588830.448679734060.06622636542520.3201760880450.0623122716815-0.275315594813-0.09927121035920.6573668220830.04795491244340.009389485966910.7579974774410.08457431049880.9150922361851.655775601268.813750543187.6226874985
170.8027023013810.2450867973130.2989436160291.699004533180.4286471702681.352071047530.414686629369-0.2114479892160.1894236663910.122014116611-0.3801026344040.200582538293-0.295763931284-0.68366063403-0.04476621879030.7460800995290.00525685551811-0.02576121077870.737907833357-0.0137138549220.81167142895951.417368419363.907928936879.7065868122
180.962821621523-0.6567849407980.7447282786090.725753233950.167257227081.082181417110.1093198704240.0243957233796-0.001751288996420.2475991352250.0566667148049-0.311009865391-0.3139405975690.0500888205837-0.01594047961660.670425395452-0.0437950548282-0.1021814486670.6636680549370.06223392413030.72018778069859.371505672162.507791732980.6145501119
190.1395332018060.170815067830.0446305994380.790975839021-0.005176210092291.09586617568-0.117164480742-0.451621243425-0.1331024630640.04965710722390.188365455998-0.16685122036-0.5399828765520.00856135936651-0.1021926784210.6471753001420.022167296437-0.03591088947280.8129885651620.05049534395450.69010001862548.145207519763.882212136771.1688048434
200.488503817708-0.86327075589-0.1084833914113.56154188761-1.564408278591.744265619010.478331461318-0.7847967026560.1280279186060.768055136752-0.640197563293-0.0247702916012-0.687877641879-0.2694289022880.4444894330591.15256452995-0.05865567308640.1007999196810.892922497417-0.06424390973640.79809927434155.771264512679.916243849992.0073443822
210.119787658076-0.107562842071-0.109489751520.05814342994090.05039121305250.1150604186010.00201961107286-0.0764681890887-0.4807257347120.4868299064130.2582872467830.487458167064-0.787651304089-1.011989877110.09602210373311.979804370470.3488558748050.09248999626451.0879556064-0.03968557150861.0227950016650.5773293554103.10826492191.8836103089
220.6800435485610.6342641435040.1326475161041.39120051946-0.4052654638640.336483136542-0.0519302982001-0.8068641388120.2444065319880.7795070879180.1429514380250.193388720754-1.68238940402-0.1320804468940.08794355251811.678542159450.420072199971-0.02190137713070.907575693101-0.1881104041090.97992443103647.356616561896.615663602388.9134368743
230.153309426444-0.0349517507718-0.0768131411870.027654156416-0.03191505839220.00464547897880.268730750906-0.6316745228380.12099654221.19765095572-0.542801495197-0.108634118985-0.792436624562-0.1266111414560.07477553825791.904752479860.124329195295-0.02586069744181.33241066472-4.05059839539E-51.3586120500742.53182582399.37195353595.8807610878
240.9918393206581.20677675402-0.2188816103761.56813758686-0.5599208577330.7123967102580.497209120169-0.5104589417030.5222006874110.331020826349-0.3134933161691.00471415707-0.372437374754-0.0523116914421-0.005654356395752.37532808120.4777541620850.05663604496081.40873199329-0.06458953570681.4505640374846.0319537345102.12533560599.1318466723
250.321421314572-0.4764330626760.1203680067773.606944245210.08823277586641.08241443209-0.158715616897-0.07801337547280.27724985548-0.6199374869830.562383524412-0.585323595702-1.412638424970.1523395222820.1575960830611.205283234510.0572198814515-0.08879775696240.6524907749590.07635741629980.65437922585852.490398958883.056539216360.9949569461
261.69489739485-0.1981702485530.09749836288952.121624370060.5392364331661.22913989088-0.1427591790440.1542617032540.320154477231-0.327776880810.0823964390093-0.0859097919555-0.765071495487-0.174570391855-0.006461751433330.7356872531770.100962419135-0.08064107636830.6858053558590.02262086779640.71174071948248.904334990573.500675609460.9804811987
271.28629215398-0.3661026713890.6596400446341.884221440530.9610261935791.96517568567-0.541466659877-0.304770919809-0.1757286331480.5437177659710.2017130248650.286972000933-0.716771870442-0.221771333567-0.05097677724971.027223091570.0101959617535-0.04570080554210.6731440295170.009158937595090.82024205520349.745120047376.952719674865.1195161665
280.157469915389-0.0591685831737-0.07903781647990.07301332631660.07986335199050.0972530475908-0.155233909623-0.008905381729350.2861387650570.2939394204050.3022639400560.0208721976202-2.91297865798-0.5860507774760.3070903181731.849390043530.386158047209-0.03669257726920.693868520786-0.02473488940991.1251302673945.379304414497.564061148166.3131826172
291.31843908017-0.160445786698-1.283038176270.73440350439-0.7389675568622.54467990786-0.0433308000154-0.4599295484930.5959323913560.312532430375-0.245136697039-0.547428222123-1.12325683141.365239752320.004207959197422.657777858470.412351342733-0.1989366403090.5258020182740.01204549794271.0139838605654.3498369032104.70521075584.6333318401
30-0.00284697031078-0.01293024263630.02000010845160.0229377062098-0.0136099969219-0.005746858272150.4944653909780.3656025426520.76822128375-0.1289493617780.485101047542-0.9648138343360.2177160786970.2909186674770.1243373843082.19378048697-0.2313837176520.2836574555771.07352150660.1585980152941.6245120027865.8383650629108.57284296278.9209183172
313.45439524591-0.206504719012.427050130642.1759833687-0.1825068759272.953029913320.4763602871420.6502805644490.08205144044410.09506707402510.2622051234450.530484066997-1.217706883930.2632355801190.08420134415591.361313649410.157329670503-0.1533231929410.7649432631670.1854122596341.1496669732649.940618275796.731817596476.6708980262
320.9317989835760.8269812401970.5110282648141.608987713510.8857221801650.4357434257750.3133922273230.359207775309-0.0170258858595-0.583819111608-0.599357105353-0.903379180872-1.336866680930.7614325483940.1316930469552.04324347677-0.202892220838-0.3494823308970.865334413114-0.1008936988761.2331698055663.8321325749108.18780609586.3822776829
334.094832901030.444844579510.7034367050390.2068139215020.249120738740.290408014333-0.05862655363240.6673066969320.3817630199740.4827464786060.0851110783935-1.25365657333-1.0682276880.5942628107510.2118118670672.77029914827-0.3618113087980.03007398916620.574070230273-0.02717534421911.3046239579157.1587800241113.27749806777.5989292233
340.997162025205-0.4060405418960.547832540910.358836433108-0.2671195237170.579162161114-0.521075026888-0.4538355779510.2292494800530.4458338964290.356278296705-0.1265160492610.260838699597-0.459589558905-0.1325811967370.651444628397-0.0327874965807-0.024840025730.793435785639-0.06113997259410.78616189871-15.111667678453.946312263879.4751955583
352.139928996940.245585245213-0.04739190705341.025081054290.2327453100510.762796864407-0.0893894912285-0.522251658592-0.6282634761380.3793119777840.01607901031330.07616303552140.4116083247050.0162659308335-0.05251657458940.619320122981-0.00699067971939-0.008970290056150.7962508847260.02072008608420.779425889102-9.2073474485956.673076228272.7706733994
360.891256617778-0.1150853598820.749605448018-0.112252272826-0.06568548087910.3940192219990.0816039942827-0.4710561351160.3739567263280.1864264430120.04410418458440.097931526764-0.139730713565-0.124720506168-0.02592785159470.565328203744-0.007612893697270.03060486599870.701311106671-0.1045594675190.820075335795-12.436993218459.38268193872.1651270519
371.17339125818-0.874109660231-0.5553124474560.7210828041040.1015848154422.613614484730.0565620348822-0.112459853026-0.3636648603820.31436887068-0.2975824760490.4193653142450.7379857161870.389777871001-0.0449222630910.7834871739570.1128780630710.1313961734310.9182118519910.03351230181070.941870887028-31.114843861128.264899532781.1332240214
381.197792665311.00266648593-0.3122411880851.28740006512-0.1848008397660.777433836182-0.201892674569-0.584720316613-0.1247892176080.3101152971570.392139293652-0.360240877961-0.07026633064550.357780850059-0.08401609439320.5886046438190.0873311474388-0.05099111690280.868097599632-0.01033311694891.07689281213-26.151962159734.069295837377.5698802519
390.987274670947-0.1614929771850.3783629638042.39674718294-0.7307190694661.321480219410.166544107247-0.388595997326-0.3660335675770.7285503713210.0327535564773-0.8996170904830.1612860827420.350641170847-0.08379100130030.8170054694490.132733222874-0.09311646128991.25983664260.08021355098131.22136416163-23.213030012629.861197063986.2433221929
402.049596282960.66038408376-0.02927811834152.575767606210.8637934722071.22199798257-0.1179343466050.2947473877830.134145461763-0.5624134399170.006629399290360.9672618071790.165244643324-0.758190545992-0.02768226837390.588071140314-0.0985955198290.0267217135820.944500960892-0.04192264011030.928174277224-20.892134170749.662181454249.6049551137
412.12581354981-0.008980814118840.1596621428231.467701753590.3943732220261.40814796902-0.245940885816-0.0318830382602-0.1315687225190.0924153157837-0.1009243400960.2014618518370.0899849895466-0.373881909302-0.04763441924170.505682960093-0.05278833456220.07555623068350.6858793157-0.03315702272490.873123380221-12.510152032449.938930427754.3330987744
420.2594545064650.830851180214-0.06038462232552.45103104708-0.09980488650040.0531571733796-0.436685733971-0.579490116693-0.07361358581550.05210164673090.9848286284350.07661855434970.9363773994810.336690721804-0.1128318238050.830081121997-0.2944087468590.1751032909160.748575437212-0.07728869307591.23756445902-26.857364709633.065118027955.1415545981
432.429269003260.3728724058530.6168700553622.987397246310.2770512911811.715936794120.0542051042814-0.79707962142-0.5380536778750.1922381736080.438691903383-0.8072885782120.3869406852790.211619488652-0.1650674296290.743649569539-0.07399587916580.09838443307521.048594611850.4100059223511.09507978487-37.304553753827.067582991883.3247047316
441.977644509610.159787093241-0.9575563798961.399090841960.761407703411.91583703245-0.153491632665-0.133828308968-0.381646390622-0.06891918573450.2376179318770.270941726182-0.103518728184-0.286437613517-0.07552644790680.604867224711-0.06231207245260.04967750676740.7388897862450.1808062530991.14906048986-40.095140387128.576666488770.9706151973
450.3765297705130.0509485233822-0.05107348896150.4273628189940.2641686703970.1407340008390.3216775913040.06903939221480.148074694548-0.08613870881080.2286196324210.006955500791860.1341045580230.0741922750548-0.2265822480250.6114904435780.0157077476593-0.1096083531620.522286827987-0.04029782904080.9254647950347.1156420744651.179895937838.4632772236
461.76664641704-0.134621537499-1.284361292851.29672567529-0.2360769453291.83705757218-0.00372620116112-0.2195103071830.1764786514360.00888251166078-0.02410909763410.0769135819197-0.0416307743295-0.0490151948786-0.003110554225630.415637435301-0.0365824597683-0.04856660155590.4827591852710.005879842993030.84225620263715.601783286363.51940080648.0684171383
472.332426970061.775253840030.0354562743333.310292442352.509245868473.51074914874-0.538701202694-0.7766831343240.6940703549471.729418276320.3287718278930.179707876711-0.5269944992890.01176027103880.1310685011880.9975963676360.08230547205470.04126978527551.10568219062-0.1987158572341.0465367857413.483333647466.449451142572.9368831687
481.97079764441-0.31108597731-0.6732520326531.67935334178-0.1064390728481.66166397276-0.106204428124-0.2550090888250.269740729679-0.0483986638910.08929835236330.2609246771660.01865065985760.0920904869148-0.007837914387050.372835660573-0.048596358357-0.09358304730310.403335957555-0.01755925745250.63917982157713.91461432764.168469403942.8128073386
493.90921577355-1.42333634680.8433044264081.90963671732-0.01220946955911.110810057930.266659370494-0.1696959550831.2296995885-0.5135460598760.1159176860160.165459722915-0.0114759210193-0.1904795958770.01099487723670.766312070298-0.0947266084527-0.08502965081130.6956620104260.2871635751651.6106529026117.576250744891.353124786427.4014122567
501.920242497660.0876524520030.1708331960931.1719551591-0.3736947266221.19215924153-0.2353340955070.4395341308091.036996287140.0726742581752-0.192427856878-0.0284940134225-0.0264174707641-0.0967691354541-0.0190207803310.665392257204-0.03961857499690.01099685508850.562565298250.1925434383191.2852017582421.31831729380.030353417232.7790238808
510.7492344870980.9477467420250.09551110536181.43961368484-0.02065835818613.28851163461-0.1762193240510.01682411174680.2567328340590.733574850291-0.1541153235120.257893085755-0.0652713577292-0.497269618175-0.05676029695950.770446986541-0.03115132216070.07154326208560.672850896139-0.009551826691171.497790185939.6297075860684.118275674636.2182762592
523.19128532467-1.433176623460.1308935851933.427274519660.1121866276962.554277916150.1893359915340.5859241150770.747102172665-0.8029679467550.1778286289410.405504198132-0.19609720558-0.24500585709-0.0123500969210.54627289311-0.0349660100618-0.06748610334970.6805243006980.09572096930271.0278709695412.403689341178.318669518824.7550735346
533.514745484321.57256851928-0.312894943480.74236579987-0.5098239338012.149338944750.384634689802-0.03898725411580.398360598676-1.14349143728-0.01051689205930.0998359965748-0.395303017797-0.03058701178110.003999181578080.867409767713-0.00054536414778-0.04256681391090.6744731667740.3692603194251.4969462936420.74416914284.828321360322.7126947272
540.784974138355-0.4722222031560.427059207690.406952822013-0.3709035437231.541133609530.4662895341560.3926023676121.01323827313-0.575100928092-0.697082393775-0.5347020841490.0108800913638-0.3896650245160.001350783425670.7750675895450.00423525560574-0.1177716824680.8681164883310.2826047253191.691322030638.4033704570489.385881874530.088412657
551.367857317960.1219733844020.04482734710361.08749963631-0.2439795494161.80692444236-0.2563056321210.06132522874760.8628743140230.3046546322580.0344565007339-0.04003792250360.00581069485554-0.02016501029440.008248660709240.563761196602-0.0447599492766-0.0129041535310.5914935649340.03208765105711.241471398718.380984836179.392645411938.9921850858
562.939188058990.16740939088-1.101666921390.4467492553870.2853130626770.688079684650.6529935765990.478364095853-0.2336381023050.3353828576430.6472313969980.464238631910.13710115592-0.3854972581330.3623563779540.2458459494460.299092309182-0.1626640134570.9017129528650.1961181666872.736546953927.0496373834197.560280180629.1910239323
570.853509570314-0.257519697563-0.4696805978310.429858759231-0.04076833894830.354215017591-0.232548533639-0.105641444980.0901980111733-0.2298885627960.12398390085-0.0237613397750.1940882835310.211376199539-0.128858213530.5245328036290.02034856281170.006831856992010.589349935402-0.08157589112090.74855752301632.413820886326.127148885638.7273181065
581.161534671580.161191495955-1.438864241550.302614393898-0.5362261269431.88153887707-0.41495873397-0.09130141517620.279942390277-0.01450001127530.148672876515-0.1081100744920.791018732670.04458094814210.01037471573070.576456471663-0.0182108515530.04473607872970.642394023126-0.0001739283678130.73180498784226.007822651731.21928477442.6463124318
591.210615181720.4758950040240.03482914386941.098309502430.06927637442952.19340609816-0.1776490199280.0017305605820.121611428833-0.2582370654280.09300693012140.04207009154590.2189643347890.0952799796722-0.0337233778550.4720993350910.00104614882038-0.006127550805690.517590758465-0.02592921390690.75989005788317.534662505227.741378424935.0777750114
602.9446578848-0.9500721203631.178139717632.048159562041.722743299183.03037757329-0.2202400299880.5230680014180.4644706298750.1598999013670.07450408321721.456245123930.414918708852-0.169628977322-0.03918226901060.5232732082860.05648846715160.09029974446020.6521787774530.05467002954230.6093615327726.6539185968728.250332428548.4616334503
610.902596018280.308459130451-0.448089749250.869207312854-0.5697433988731.960470840470.00883029468402-0.1377510627110.0344122388223-0.2241868227960.1318674182590.1557824046160.16179574466-0.179334520273-0.01375720856960.481178710593-0.013823515967-0.03239329792880.489976078796-0.00660361451380.66832318223215.191775112722.149268768448.8838706499
621.189260096150.5747581587050.362559467010.72470617289-0.6489889167852.769060767520.133413683242-0.4850498829920.6096191318820.1542032252760.124979444818-0.624617873999-0.747149388444-0.2373188002570.004612500691180.592979301917-0.0642137251911-0.05892819186980.5152011957810.003866259121620.85495007354914.355619602134.151882927853.9190825277
632.92219346545-2.55774638124-3.593261641762.961213456342.941843350936.398476966860.2925359528050.8312398878980.4678582089580.8355116924150.3456849404620.458461238415-0.07297925969710.135323042675-0.2200056867010.8121709150510.1714776681220.1299562095010.9265264097770.03561593878970.6983043643827.2872449977828.994296386570.5715261443
642.520450064750.678600397598-0.7342962383270.608670738851-1.009239813872.28021375293-0.414300902011-0.782536632909-0.7697621578780.158096475951-0.7256635154930.7277456781070.0461116892649-0.2793385615330.04085887270230.747033421820.04724537321530.07947954224930.7519998159880.0445411693450.9353900112339.5816260301722.974594072569.3135682557
650.879084820491.037174217171.098948795711.426664384720.9933892104712.20785855371-0.0857710713015-0.452785202920.1256534952340.06162117072640.6274862486970.06540891604471.13283982569-0.289802362739-0.009760341956740.798576122917-0.02357435601720.01206603584820.6453091494320.05043763882160.77214585362512.49917258739.6562324970248.8843603095
660.4485436719180.258684444458-0.3706735851314.3832983935-1.575976703631.444462665330.243958324150.187406458313-0.135778523798-0.3238205386140.2140313766760.9708687226440.0305035589291-0.0320046871464-0.02522273592270.440997294859-0.0684084490205-0.04779239474430.552633477663-0.01797413804340.65305025773520.139342488535.5422240934.6054545338
670.9841507676260.6984901389390.9731389001092.89306912744-0.08171300061841.14836223870.0172195519530.9865544732760.639401291427-0.987261663083-0.5864112386611.225589046240.6487460107760.02409960825110.007004341210971.25069896883-0.0351453909531-0.3107399188581.00012464320.02147438962050.971573268812-4.9691492461614.270075389419.8126112906
681.95068011130.198798738915-0.2591023172512.26695955229-0.2340603973511.12800978489-0.2209293095440.06808131947250.414622951443-0.767703509842-0.2609159624970.7958467866680.159310020922-0.143771448383-0.07668246122370.882700160979-0.09546895296-0.2306262320970.5784046747950.1232212854020.8385338117060.57838850141420.171286557125.5506283823
692.764862782970.250283791037-1.190845427881.398842954920.06202380458882.689580382960.4385175339040.516540730104-0.0226411186424-0.428074747273-0.7270840004120.2861099793580.5988088585630.6759943374550.001000986237550.8700349557160.04485313221850.0224969261690.6695021505240.1869551444030.7041183859768.7828064939120.181274644324.7669498157
700.9464532893551.05785255816-0.614183927041.811453748930.006972161948791.08884915873-0.6921032407721.50246857513-0.23217174397-0.934059289306-0.0625421333604-0.4258684383310.7263285119030.64769100506-0.03626096658711.67269623223-0.006225265030290.08878782056820.7208354220250.09634745767880.7064443223648.9905751113114.420620692518.8499197194
713.684653750410.4804937627690.1900834430040.14396012481-0.4984538850044.20586843581-0.1809266818550.1599857822281.21908552624-0.62833248186-0.01117450193090.1308093551841.49167353647-0.337775203877-0.01619750934951.47585776646-0.161889133779-0.2452606411910.7809849955440.0902571844970.9053057365140.7574631338521.96315219415.7515971677
724.29819167752-1.90613473891-1.663514153241.612486200451.442322064671.27852251377-0.0009147197059330.280173963357-1.05646612776-1.15124567690.21026332146-0.1750183009960.337042889984-0.1266968445710.01163504296342.53373503297-0.161084482606-0.08313785639570.8241478406-0.05901229614270.9350696371014.064286005413.0685244646819.4831439474
732.201952074180.3931857512560.1753550281860.987183459279-1.099771754591.722768389730.382295656786-0.3222387266280.279360831702-0.490791696296-0.01060525716410.7285435920190.308807347078-0.330755027387-0.03470397365460.664219622835-0.0616899496311-0.1411521391130.5761644530130.02778643819690.8845700786052.3752080437420.684570793731.6337323318
742.273381991792.115747449911.120981451772.694863195380.4183506731881.57430184698-0.0748295715169-0.2498335910020.139070396958-0.650280514408-0.04234626125830.4704822011111.57166563139-0.04362053350350.02205152390491.50744278508-0.154501194999-0.4389107204070.752921591987-0.04640731883671.08824257897-5.707610120996.2912731010822.2153401728
750.4164164419550.1174550218340.02298690005490.738899334655-0.7963232179230.513319098376-0.1034310256340.2619386418020.306198210560.08686114714480.02568010005760.161331034184-0.02679181402110.163379591893-0.2118454683660.522290058577-0.05293187890730.01472274870020.652116853660.08003481418110.87488950035541.176045251760.177710732942.6487705474
760.598099482057-0.2767604522880.2749289138470.533428443149-1.067010102091.699001765760.135979126581-0.0710081802884-0.113961550401-0.07142971730610.0274156987576-0.161105284918-0.3039985974740.1773346238920.04556824623210.501039953915-0.05283780329250.005953377122730.5551364498560.006343792579520.79079316500144.348540148752.064464569941.3907654646
771.988731083470.4081363252350.6287438474741.3551157940.4305561728551.529774192420.1042868460710.0314368128759-0.4618502638840.1295817948720.140399074068-0.2264680869770.1791721834080.1187733353480.03669097948220.4680627074840.01014074325910.0315469328590.5128748868360.01104919118910.81815133610247.310000842942.859120105943.8410183191
780.840528653074-0.2794130539710.5032714278710.2223164156610.3529206991682.56874202144-0.04040506762020.0755905622507-0.2199402950310.09514581308470.135983694392-0.1393329102620.1589291945290.1402575327460.0536868029050.428339658273-0.018355488622-0.02658377983720.5067214816670.00405456444510.73516687711148.356525600545.021905925854.8556367213
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'Y' and (resid 470 through 479 )Y470 - 479
2X-RAY DIFFRACTION2chain 'Y' and (resid 480 through 494 )Y480 - 494
3X-RAY DIFFRACTION3chain 'Y' and (resid 495 through 506 )Y495 - 506
4X-RAY DIFFRACTION4chain 'Y' and (resid 507 through 525 )Y507 - 525
5X-RAY DIFFRACTION5chain 'K' and (resid 1 through 25 )K1 - 25
6X-RAY DIFFRACTION6chain 'K' and (resid 26 through 60 )K26 - 60
7X-RAY DIFFRACTION7chain 'K' and (resid 61 through 73 )K61 - 73
8X-RAY DIFFRACTION8chain 'K' and (resid 74 through 124 )K74 - 124
9X-RAY DIFFRACTION9chain 'A' and (resid 1 through 158 )A1 - 158
10X-RAY DIFFRACTION10chain 'A' and (resid 159 through 170 )A159 - 170
11X-RAY DIFFRACTION11chain 'A' and (resid 171 through 228 )A171 - 228
12X-RAY DIFFRACTION12chain 'B' and (resid 1 through 101 )B1 - 101
13X-RAY DIFFRACTION13chain 'B' and (resid 102 through 127 )B102 - 127
14X-RAY DIFFRACTION14chain 'B' and (resid 128 through 173 )B128 - 173
15X-RAY DIFFRACTION15chain 'B' and (resid 174 through 212 )B174 - 212
16X-RAY DIFFRACTION16chain 'C' and (resid 1 through 17 )C1 - 17
17X-RAY DIFFRACTION17chain 'C' and (resid 18 through 44 )C18 - 44
18X-RAY DIFFRACTION18chain 'C' and (resid 45 through 93 )C45 - 93
19X-RAY DIFFRACTION19chain 'C' and (resid 94 through 116 )C94 - 116
20X-RAY DIFFRACTION20chain 'C' and (resid 117 through 132 )C117 - 132
21X-RAY DIFFRACTION21chain 'C' and (resid 133 through 158 )C133 - 158
22X-RAY DIFFRACTION22chain 'C' and (resid 159 through 201 )C159 - 201
23X-RAY DIFFRACTION23chain 'C' and (resid 202 through 216 )C202 - 216
24X-RAY DIFFRACTION24chain 'C' and (resid 217 through 227 )C217 - 227
25X-RAY DIFFRACTION25chain 'D' and (resid 1 through 18 )D1 - 18
26X-RAY DIFFRACTION26chain 'D' and (resid 19 through 75 )D19 - 75
27X-RAY DIFFRACTION27chain 'D' and (resid 76 through 101 )D76 - 101
28X-RAY DIFFRACTION28chain 'D' and (resid 102 through 112 )D102 - 112
29X-RAY DIFFRACTION29chain 'D' and (resid 113 through 143 )D113 - 143
30X-RAY DIFFRACTION30chain 'D' and (resid 144 through 154 )D144 - 154
31X-RAY DIFFRACTION31chain 'D' and (resid 155 through 173 )D155 - 173
32X-RAY DIFFRACTION32chain 'D' and (resid 174 through 196 )D174 - 196
33X-RAY DIFFRACTION33chain 'D' and (resid 197 through 212 )D197 - 212
34X-RAY DIFFRACTION34chain 'H' and (resid 1 through 17 )H1 - 17
35X-RAY DIFFRACTION35chain 'H' and (resid 18 through 44 )H18 - 44
36X-RAY DIFFRACTION36chain 'H' and (resid 45 through 132 )H45 - 132
37X-RAY DIFFRACTION37chain 'H' and (resid 133 through 158 )H133 - 158
38X-RAY DIFFRACTION38chain 'H' and (resid 159 through 201 )H159 - 201
39X-RAY DIFFRACTION39chain 'H' and (resid 202 through 227 )H202 - 227
40X-RAY DIFFRACTION40chain 'L' and (resid 1 through 25 )L1 - 25
41X-RAY DIFFRACTION41chain 'L' and (resid 26 through 100 )L26 - 100
42X-RAY DIFFRACTION42chain 'L' and (resid 101 through 112 )L101 - 112
43X-RAY DIFFRACTION43chain 'L' and (resid 113 through 127 )L113 - 127
44X-RAY DIFFRACTION44chain 'L' and (resid 128 through 212 )L128 - 212
45X-RAY DIFFRACTION45chain 'R' and (resid 329 through 349 )R329 - 349
46X-RAY DIFFRACTION46chain 'R' and (resid 350 through 479 )R350 - 479
47X-RAY DIFFRACTION47chain 'R' and (resid 480 through 494 )R480 - 494
48X-RAY DIFFRACTION48chain 'R' and (resid 495 through 525 )R495 - 525
49X-RAY DIFFRACTION49chain 'I' and (resid 1 through 25 )I1 - 25
50X-RAY DIFFRACTION50chain 'I' and (resid 26 through 39 )I26 - 39
51X-RAY DIFFRACTION51chain 'I' and (resid 40 through 52 )I40 - 52
52X-RAY DIFFRACTION52chain 'I' and (resid 53 through 73 )I53 - 73
53X-RAY DIFFRACTION53chain 'I' and (resid 74 through 83 )I74 - 83
54X-RAY DIFFRACTION54chain 'I' and (resid 84 through 99 )I84 - 99
55X-RAY DIFFRACTION55chain 'I' and (resid 100 through 117 )I100 - 117
56X-RAY DIFFRACTION56chain 'I' and (resid 118 through 124 )I118 - 124
57X-RAY DIFFRACTION57chain 'X' and (resid 329 through 349 )X329 - 349
58X-RAY DIFFRACTION58chain 'X' and (resid 350 through 364 )X350 - 364
59X-RAY DIFFRACTION59chain 'X' and (resid 365 through 409 )X365 - 409
60X-RAY DIFFRACTION60chain 'X' and (resid 410 through 421 )X410 - 421
61X-RAY DIFFRACTION61chain 'X' and (resid 422 through 459 )X422 - 459
62X-RAY DIFFRACTION62chain 'X' and (resid 460 through 469 )X460 - 469
63X-RAY DIFFRACTION63chain 'X' and (resid 470 through 479 )X470 - 479
64X-RAY DIFFRACTION64chain 'X' and (resid 480 through 494 )X480 - 494
65X-RAY DIFFRACTION65chain 'X' and (resid 495 through 506 )X495 - 506
66X-RAY DIFFRACTION66chain 'X' and (resid 507 through 525 )X507 - 525
67X-RAY DIFFRACTION67chain 'J' and (resid 1 through 17 )J1 - 17
68X-RAY DIFFRACTION68chain 'J' and (resid 18 through 44 )J18 - 44
69X-RAY DIFFRACTION69chain 'J' and (resid 45 through 60 )J45 - 60
70X-RAY DIFFRACTION70chain 'J' and (resid 61 through 73 )J61 - 73
71X-RAY DIFFRACTION71chain 'J' and (resid 74 through 83 )J74 - 83
72X-RAY DIFFRACTION72chain 'J' and (resid 84 through 91 )J84 - 91
73X-RAY DIFFRACTION73chain 'J' and (resid 92 through 115 )J92 - 115
74X-RAY DIFFRACTION74chain 'J' and (resid 116 through 124 )J116 - 124
75X-RAY DIFFRACTION75chain 'Y' and (resid 329 through 349 )Y329 - 349
76X-RAY DIFFRACTION76chain 'Y' and (resid 350 through 375 )Y350 - 375
77X-RAY DIFFRACTION77chain 'Y' and (resid 376 through 421 )Y376 - 421
78X-RAY DIFFRACTION78chain 'Y' and (resid 422 through 469 )Y422 - 469

+
万見について

-
お知らせ

-
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

-
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

+
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

+
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

+
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。

-
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