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- PDB-4dr3: Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal... -

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基本情報

登録情報
データベース: PDB / ID: 4dr3
タイトルCrystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with streptomycin bound
要素
  • (30S ribosomal protein ...) x 20
  • 16S rRNA
キーワードRIBOSOME/ANTIBIOTIC / decoding / Streptomycin / RNA structure / antibiotic resistance / RIBOSOME-ANTIBIOTIC complex
機能・相同性
機能・相同性情報


ribosomal small subunit biogenesis / ribosomal small subunit assembly / small ribosomal subunit / cytosolic small ribosomal subunit / small ribosomal subunit rRNA binding / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / translation ...ribosomal small subunit biogenesis / ribosomal small subunit assembly / small ribosomal subunit / cytosolic small ribosomal subunit / small ribosomal subunit rRNA binding / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / translation / ribonucleoprotein complex / mRNA binding / zinc ion binding / metal ion binding / cytosol / cytoplasm
類似検索 - 分子機能
S16 Ribosomal Protein; Chain: A; / Ribosomal protein S16 / Ribosomal protein S18 / 30s Ribosomal Protein S18 / 30s ribosomal protein s13; domain 2 / Ribosomal protein S13/S18, C-terminal domain / Ribosomal protein S20 / 30s Ribosomal Protein S19; Chain A / Ribosomal protein S19/S15 / Ribosomal protein S3, C-terminal domain ...S16 Ribosomal Protein; Chain: A; / Ribosomal protein S16 / Ribosomal protein S18 / 30s Ribosomal Protein S18 / 30s ribosomal protein s13; domain 2 / Ribosomal protein S13/S18, C-terminal domain / Ribosomal protein S20 / 30s Ribosomal Protein S19; Chain A / Ribosomal protein S19/S15 / Ribosomal protein S3, C-terminal domain / Ribosomal Protein S14/S29 / 30s Ribosomal Protein S14; Chain N / Ribosomal protein S4/S9, N-terminal domain / Ribosomal Protein S4 Delta 41; Chain A, domain 1 / Ribosomal Protein S8; Chain: A, domain 1 - #30 / Ribosomal protein S3 C-terminal domain / Ribosomal protein S6/Translation elongation factor EF1B / Dna Ligase; domain 1 - #10 / Ribosomal protein S11/S14 / Ribosomal protein S10 / S15/NS1, RNA-binding / Helix hairpin bin / Ribosomal Protein S7 / Ribosomal protein S7/S5 / RNA-binding S4 domain / Structural Genomics Hypothetical 15.5 Kd Protein In mrcA-pckA Intergenic Region; Chain A / K homology (KH) domain / Helicase, Ruva Protein; domain 3 - #50 / Double Stranded RNA Binding Domain - #20 / Glucose-6-phosphate isomerase like protein; domain 1 / Ribosomal Protein S8; Chain: A, domain 1 / Ribosomal Protein S5; domain 2 - #10 / 30S ribosomal protein Thx / 30S ribosomal protein Thx / 30S ribosomal protein / GMP Synthetase; Chain A, domain 3 / Ribosomal Protein S5; domain 2 / Ribosomal protein S14, type Z / Double Stranded RNA Binding Domain / Helicase, Ruva Protein; domain 3 / Nucleic acid-binding proteins / Dna Ligase; domain 1 / Methane Monooxygenase Hydroxylase; Chain G, domain 1 / Ribosomal protein S19, bacterial-type / Ribosomal protein S3, bacterial-type / Ribosomal protein S13, bacterial-type / Ribosomal protein S6, conserved site / Ribosomal protein S6 signature. / Ribosomal protein S7, bacterial/organellar-type / Ribosomal protein S9, bacterial/plastid / Ribosomal protein S11, bacterial-type / Ribosomal protein S20 / Ribosomal protein S20 superfamily / Ribosomal protein S20 / Ribosomal protein S4, bacterial-type / 30S ribosomal protein S17 / Ribosomal protein S5, bacterial-type / Ribosomal protein S14/S29 / Ribosomal protein S2, bacteria/mitochondria/plastid / Ribosomal protein S18, conserved site / Ribosomal protein S18 signature. / Ribosomal protein S6, plastid/chloroplast / Ribosomal protein S16 / Ribosomal protein S16 domain superfamily / Ribosomal protein S16 / Ribosomal protein S15, bacterial-type / Ribosomal protein S12, bacterial-type / Ribosomal protein S18 / Ribosomal protein S18 / Ribosomal protein S18 superfamily / K Homology domain / K homology RNA-binding domain / Ribosomal protein S6 / Ribosomal protein S6 / Ribosomal protein S6 superfamily / Translation elongation factor EF1B/ribosomal protein S6 / Few Secondary Structures / Irregular / Ribosomal protein S3, conserved site / Ribosomal protein S3 signature. / Ribosomal protein S10, conserved site / Ribosomal protein S10 signature. / Ribosomal protein S14, conserved site / Ribosomal protein S14 signature. / Ribosomal protein S2 signature 1. / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / KH domain / Type-2 KH domain profile. / K Homology domain, type 2 / Ribosomal protein S3, C-terminal / Ribosomal protein S3, C-terminal domain / Ribosomal protein S3, C-terminal domain superfamily / Ribosomal protein S15/S19, conserved site / Ribosomal protein S19 signature. / Ribosomal protein S10 / Ribosomal protein S19/S15 / Ribosomal protein S19/S15, superfamily / Ribosomal protein S19 / : / Ribosomal protein S5, N-terminal, conserved site
類似検索 - ドメイン・相同性
STREPTOMYCIN / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS8 ...STREPTOMYCIN / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS7 / Small ribosomal subunit protein uS2 / Small ribosomal subunit protein uS3 / Small ribosomal subunit protein uS4 / Small ribosomal subunit protein uS9 / Small ribosomal subunit protein uS11 / Small ribosomal subunit protein uS13 / Small ribosomal subunit protein bS20 / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS10 / Small ribosomal subunit protein uS19 / 30S ribosomal protein S17 / 30S ribosomal protein S14 type Z / 30S ribosomal protein S8 / Small ribosomal subunit protein uS5 / Small ribosomal subunit protein bTHX / Small ribosomal subunit protein uS15 / Small ribosomal subunit protein bS16 / Small ribosomal subunit protein bS6 / Small ribosomal subunit protein bS18
類似検索 - 構成要素
生物種Thermus thermophilus (バクテリア)
手法X線回折 / シンクロトロン / フーリエ合成 / 解像度: 3.348 Å
データ登録者Demirci, H. / Murphy IV, F. / Murphy, E. / Gregory, S.T. / Dahlberg, A.E. / Jogl, G.
引用ジャーナル: Nat Commun / 年: 2013
タイトル: A structural basis for streptomycin-induced misreading of the genetic code.
著者: Demirci, H. / Murphy, F. / Murphy, E. / Gregory, S.T. / Dahlberg, A.E. / Jogl, G.
履歴
登録2012年2月16日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02012年11月14日Provider: repository / タイプ: Initial release
改定 1.12013年1月23日Group: Database references
改定 1.22013年1月30日Group: Database references
改定 1.32025年2月19日Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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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

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集合体

登録構造単位
A: 16S rRNA
B: 30S ribosomal protein S2
C: 30S ribosomal protein S3
D: 30S ribosomal protein S4
E: 30S ribosomal protein S5
F: 30S ribosomal protein S6
G: 30S ribosomal protein S7
H: 30S ribosomal protein S8
I: 30S ribosomal protein S9
J: 30S ribosomal protein S10
K: 30S ribosomal protein S11
L: 30S ribosomal protein S12
M: 30S ribosomal protein S13
N: 30S ribosomal protein S14
O: 30S ribosomal protein S15
P: 30S ribosomal protein S16
Q: 30S ribosomal protein S17
R: 30S ribosomal protein S18
S: 30S ribosomal protein S19
T: 30S ribosomal protein S20
U: 30S ribosomal protein THX
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)791,065288
ポリマ－783,93621
非ポリマー7,129267
水4,738263
1


  • 登録構造と同一
  • 登録者が定義した集合体
タイプ名称対称操作数
identity operation1_555x,y,z1
単位格子
Length a, b, c (Å)404.041, 404.041, 173.527
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number92
Space group name H-MP41212

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要素

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RNA鎖 , 1種, 1分子 A

#1: RNA鎖 16S rRNA


分子量: 494170.781 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: GenBank: M26923.1

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30S ribosomal protein ... , 20種, 20分子 BCDEFGHIJKLMNOPQRSTU

#2: タンパク質 30S ribosomal protein S2


分子量: 29317.703 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: P80371
#3: タンパク質 30S ribosomal protein S3


分子量: 26751.076 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: P80372
#4: タンパク質 30S ribosomal protein S4


分子量: 24373.447 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: P80373
#5: タンパク質 30S ribosomal protein S5


分子量: 17583.416 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: Q5SHQ5
#6: タンパク質 30S ribosomal protein S6


分子量: 11988.753 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: Q5SLP8
#7: タンパク質 30S ribosomal protein S7


分子量: 18050.973 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: P17291
#8: タンパク質 30S ribosomal protein S8


分子量: 15868.570 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: Q5SHQ2, UniProt: P0DOY9*PLUS
#9: タンパク質 30S ribosomal protein S9


分子量: 14410.614 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: P80374
#10: タンパク質 30S ribosomal protein S10


分子量: 11954.968 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: Q5SHN7
#11: タンパク質 30S ribosomal protein S11


分子量: 13737.868 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: P80376
#12: タンパク質 30S ribosomal protein S12


分子量: 14966.846 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: F6DEQ7, UniProt: Q5SHN3*PLUS
#13: タンパク質 30S ribosomal protein S13


分子量: 14338.861 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: P80377
#14: タンパク質 30S ribosomal protein S14


分子量: 7158.725 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: Q5SHQ1, UniProt: P0DOY6*PLUS
#15: タンパク質 30S ribosomal protein S15


分子量: 10578.407 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: Q5SJ76
#16: タンパク質 30S ribosomal protein S16


分子量: 10409.983 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: Q5SJH3
#17: タンパク質 30S ribosomal protein S17


分子量: 12324.670 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: Q5SHP7, UniProt: P0DOY7*PLUS
#18: タンパク質 30S ribosomal protein S18


分子量: 10258.299 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: Q5SLQ0
#19: タンパク質 30S ribosomal protein S19


分子量: 10605.464 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: Q5SHP2
#20: タンパク質 30S ribosomal protein S20


分子量: 11736.143 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: P80380
#21: タンパク質・ペプチド 30S ribosomal protein THX


分子量: 3350.030 Da / 分子数: 1 / 由来タイプ: 天然 / 由来: (天然) Thermus thermophilus (バクテリア) / 株: HB8 / 参照: UniProt: Q5SIH3

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非ポリマー , 4種, 530分子

#22: 化合物 ChemComp-SRY / STREPTOMYCIN / STREPTOMYCIN A / ストレプトマイシン


分子量: 581.574 Da / 分子数: 1 / 由来タイプ: 合成 / 式: C21H39N7O12 / コメント: 薬剤, 抗生剤*YM
#23: 化合物...
ChemComp-MG / MAGNESIUM ION / マグネシウムジカチオン


分子量: 24.305 Da / 分子数: 264 / 由来タイプ: 合成 / 式: Mg
#24: 化合物 ChemComp-ZN / ZINC ION


分子量: 65.409 Da / 分子数: 2 / 由来タイプ: 合成 / 式: Zn
#25: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 263 / 由来タイプ: 天然 / 式: H2O

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詳細

Has protein modificationY

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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: 4.52 Å3/Da / 溶媒含有率: 72.77 %
結晶化温度: 277 K / 手法: ハンギングドロップ法 / pH: 6.5 / 詳細: MPD, pH 6.5, HANGING DROP, temperature 277K

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データ収集

回折平均測定温度: 100 K
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-C / 波長: 0.98 Å
検出器タイプ: ADSC QUANTUM 315 / 検出器: CCD / 日付: 2011年11月7日
放射モノクロメーター: Kohzu HLD8-24 / 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: 0.98 Å / 相対比: 1
Reflection冗長度: 3.3 % / Av σ(I) over netI: 15.52 / 数: 666812 / Rmerge(I) obs: 0.062 / Χ2: 1.05 / D res high: 3.35 Å / D res low: 35 Å / Num. obs: 200934 / % possible obs: 98.3
Diffraction reflection shell
最高解像度 (Å)最低解像度 (Å)% possible obs (%)IDRmerge(I) obsChi squaredRedundancy
7.23592.210.0290.9063.3
5.727.297.710.0430.9563.3
55.7298.810.0490.9733.3
4.54599.210.0611.0143.3
4.224.5499.410.0841.0463.3
3.974.2299.410.1221.1483.3
3.773.9799.410.1811.1583.3
3.613.7799.210.2891.123.3
3.473.6199.310.4341.0913.3
3.353.479910.6341.0733.3
反射解像度: 3.348→35 Å / Num. all: 200934 / Num. obs: 200934 / % possible obs: 98.3 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / 冗長度: 3.3 % / Rmerge(I) obs: 0.062 / Χ2: 1.049 / Net I/σ(I): 14.8
反射 シェル
解像度 (Å)冗長度 (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
3.348-3.473.30.634199941.073199
3.47-3.613.30.434201071.091199.3
3.61-3.773.30.289200841.12199.2
3.77-3.973.30.181201341.158199.4
3.97-4.223.30.122201821.148199.4
4.22-4.543.30.084202441.046199.4
4.54-53.30.061202251.014199.2
5-5.723.30.049202330.973198.8
5.72-7.23.30.043201760.956197.7
7.2-353.30.029195550.906192.2

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解析

ソフトウェア
名称バージョン分類NB
DENZOデータ削減
SCALEPACKデータスケーリング
PHENIXdev_978精密化
PDB_EXTRACT3.1データ抽出
HKL-2000データ収集
PHENIXdev_978位相決定
精密化構造決定の手法: フーリエ合成 / 解像度: 3.348→34.552 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.8634 / SU ML: 0.31 / σ(F): 1.34 / 位相誤差: 20.57 / 立体化学のターゲット値: ML
Rfactor反射数%反射Selection details
Rfree0.2063 10115 5.04 %FROM PDB ENTRY 2VQE
Rwork0.1676 ---
obs0.1695 200881 98.32 %-
all-200881 --
溶媒の処理減衰半径: 0.86 Å / VDWプローブ半径: 1.1 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 97.47 Å2 / ksol: 0.27 e/Å3
原子変位パラメータBiso max: 484.81 Å2 / Biso mean: 147.1691 Å2 / Biso min: 2.41 Å2
Baniso -1Baniso -2Baniso -3
1--8.699 Å2-0 Å20 Å2
2---8.699 Å20 Å2
3---17.398 Å2
精密化ステップサイクル: LAST / 解像度: 3.348→34.552 Å
タンパク質核酸リガンド溶媒全体
原子数19088 32507 306 263 52164
拘束条件
Refine-IDタイプDev ideal数
X-RAY DIFFRACTIONf_bond_d0.00656088
X-RAY DIFFRACTIONf_angle_d0.96483155
X-RAY DIFFRACTIONf_chiral_restr0.06810400
X-RAY DIFFRACTIONf_plane_restr0.0054882
X-RAY DIFFRACTIONf_dihedral_angle_d17.90226010
LS精密化 シェル

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

解像度 (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.348-3.38640.34523300.28996238656898
3.3864-3.42620.353600.28666294665499
3.4262-3.46790.30223400.26926342668299
3.4679-3.51180.30283710.256963526723100
3.5118-3.5580.27953370.24426334667199
3.558-3.60660.26663530.23046342669599
3.6066-3.65810.25323430.21886363670699
3.6581-3.71270.26053500.21136341669199
3.7127-3.77060.22873630.19716340670399
3.7706-3.83230.24122920.195364456737100
3.8323-3.89830.21143380.18326370670899
3.8983-3.96910.21063370.17286359669699
3.9691-4.04540.21023480.16896362671099
4.0454-4.12780.2163690.176386675599
4.1278-4.21740.19723210.154764086729100
4.2174-4.31530.2233280.15516423675199
4.3153-4.4230.1953460.15686387673399
4.423-4.54240.18683690.14956395676499
4.5424-4.67570.18833260.14486445677199
4.6757-4.82630.16333020.13796402670499
4.8263-4.99830.1743530.1296406675999
4.9983-5.19780.18263160.13356444676099
5.1978-5.43340.18533230.13466442676599
5.4334-5.71870.17273410.13256380672199
5.7187-6.07520.18713260.14156405673198
6.0752-6.54130.1813070.1486411671898
6.5413-7.19430.19433410.14416398673997
7.1943-8.2230.19853150.14516347666296
8.223-10.31420.18573590.1636260661994
10.3142-34.55370.21453110.20395945625686
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)
10.61490.0419-0.17220.8223-0.04570.5431-0.0072-0.0418-0.1690.25240.08070.210.24650.0476-0.07870.74520.11910.06960.6429-0.00090.9503143.716683.4323-12.6019
23.4582-0.56920.29560.39710.12310.476-0.0356-1.68870.68440.37290.2417-0.3886-0.03410.2225-0.21331.1343-0.15540.00092.1865-0.74941.7917223.2558128.68339.9243
31.50740.4439-0.70720.2816-0.42650.4687-0.2031-0.0952-0.6557-0.12060.2275-0.52420.2450.1627-0.02851.10440.1958-0.01081.0797-0.03411.4797165.799370.8095-25.5346
42.22451.66390.19842.0279-1.06912.0998-0.60660.27-0.1046-0.75060.4474-1.0178-0.49360.48530.10391.6071-0.1520.22690.89060.09021.5636157.2038158.1163-34.1141
53.23550.29632.9476.68823.57334.44250.1306-0.19690.5555-0.5762-0.49710.65130.0754-0.7440.38581.1605-0.10090.44720.85210.08031.769151.1454156.2829-27.1537
64.59380.6759-1.48147.6861-0.29479.6879-0.03990.3650.4761-0.5788-0.4319-1.2906-0.54921.26080.43651.1397-0.09410.34751.1391-0.02381.5426167.9111162.3697-18.4805
74.87611.00091.55854.9988-1.41383.98250.1632-0.55760.6375-0.08560.5623-0.576-0.82930.7336-0.79690.869-0.07660.42951.0075-0.52261.7001174.8399157.0264-6.4767
82.8717-2.4511-2.55226.4251-0.38113.80.4536-0.42140.94860.92061.253-2.4991-0.29661.7228-1.5811.6004-0.42530.24242.0021-0.80562.298191.0335161.8976-3.9734
93.1587-0.12511.48483.4935-1.38283.4367-0.08980.03190.0348-0.84330.5059-0.6753-0.60840.3381-0.41281.2197-0.07470.550.7034-0.181.821161.1198156.2876-18.0328
105.4177-0.0771-6.10910.3852-0.04688.7817-0.31980.09331.01250.2320.41090.2711-0.8434-0.0937-0.10063.268-0.16840.51431.0765-0.00053.1138164.3653174.6255-22.5089
110.0139-0.08490.08240.1444-0.16470.2386-0.1398-1.18770.57540.33770.08230.1411-0.3116-0.2970.11571.6091-0.0249-0.084.3024-1.18371.6949205.512139.170734.7038
122.70880.12790.59246.1346-1.52571.9495-0.3873-1.38880.21050.82130.9161-0.35640.127-0.5914-0.47050.93790.02720.15642.6645-0.61811.2559190.5602130.785318.4628
133.2663-2.5418-0.98092.6079-0.82534.2837-0.1495-0.2362-0.43060.81540.29570.1148-0.1522-0.4377-0.17522.23630.101-0.09751.4439-0.12411.3617153.235111.370437.6581
147.53541.07761.7633.79-1.89981.98070.3724-1.37240.99250.3655-0.3062-0.6064-0.84040.4195-0.10561.55660.1676-0.00831.2857-0.31410.975159.8963113.0625.6437
153.68550.34260.82744.2968-1.6816.25050.3998-0.3301-0.09720.7417-0.14940.55130.5064-0.0837-0.28911.3910.08580.31880.7422-0.00630.9432135.3447103.936730.7264
161.5911-1.62841.4195.4704-3.44265.8406-0.2986-1.72440.33892.59930.58580.6507-0.647-0.6972-0.37562.16110.23380.47911.7246-0.01850.9993131.1131110.355947.1858
179.7804-0.2034-3.97824.95340.28795.67650.82740.45551.24940.252-0.2989-0.0516-1.8873-0.6569-0.49411.31710.16820.01130.75220.05410.724139.1171114.009323.0535
188.4976-7.1336-5.63719.0814.87373.74740.3845-0.88950.60641.19720.0172-0.41650.16750.0939-0.39950.91340.0297-0.10341.5616-0.420.8729162.1473126.38388.3554
193.64961.0257-5.68738.50250.01819.19540.11390.1664-0.31190.0780.0447-0.4224-0.3814-0.0984-0.13670.7954-0.0604-0.00311.5547-0.28411.1655184.2446121.4835-1.9569
209.6571-3.7582-3.18063.68230.22953.9616-0.2953-0.39190.41830.39830.2399-0.0144-0.58870.29490.10450.8935-0.23570.13421.086-0.49511.047162.2422129.155.0202
219.8573-4.71543.44565.1727-3.1611.9859-0.2306-0.1581.06310.38210.3231-0.6867-0.91020.4039-0.03581.2824-0.28660.22180.861-0.36281.0564168.1507132.90375.9139
222.67684.7804-1.76558.6102-2.51215.56320.5575-0.83761.40420.77080.1641.4476-0.9329-0.3386-0.7630.69940.13960.25130.909-0.13781.234145.608129.1810.7603
235.4178-5.878-0.5828.49693.45563.9166-0.97412.017-2.5515-0.6946-0.19010.01121.317-1.13821.11291.2689-0.05340.17330.9304-0.18511.1669152.7825119.9154-10.4827
242.94310.5442-3.58264.3867-1.26295.4056-0.5165-0.22280.16630.48550.0802-0.0407-0.2253-1.11410.45240.98180.20730.20570.7497-0.240.8578145.7849116.56041.0783
256.0054-1.93630.32395.54292.68961.67240.0226-0.5947-0.12230.5548-0.04790.06660.10040.3546-0.01330.6438-0.15650.2030.8504-0.07980.4441153.5447120.5017-0.2003
269.6607-5.07735.53628.8256-6.0368.8208-0.2944-0.37220.38960.6017-0.56230.7209-0.3082-0.84010.79630.93830.06120.31110.8967-0.33841.0272136.819133.8013-9.0443
275.41890.3111-1.74222.05550.51892.8709-0.00330.60930.0086-0.82230.0198-0.09880.12490.7076-0.03721.74110.2311-0.02181.9739-0.02320.674174.3863115.1167-93.5408
284.06640.25351.33791.870.59342.70710.39460.43510.0243-0.1697-0.24030.1805-0.2746-0.1067-0.11361.38990.11020.27551.66390.11030.9541175.2245115.8452-87.1162
296.98570.06130.73080.4910.95947.3648-0.4499-0.10770.8594-0.062-0.12080.8199-0.7923-0.65420.51271.45810.0425-0.40791.94520.74341.4755166.1511131.4846-73.5532
309.14366.34523.18384.81162.23181.1087-0.37930.42782.06110.6058-0.67520.9914-0.7899-0.15360.9811.4844-0.29130.14681.3395-0.32812.6546217.3609143.6128-22.0382
313.21550.9397-0.6920.2734-0.19960.27010.05150.23190.39960.02310.21010.3094-0.0171-0.5123-0.22561.4535-0.22020.60531.33890.46254.0425239.5607153.8286-23.182
322.9742-0.79241.89563.7152-0.98359.115-1.11050.86630.66330.29040.3854-0.5474-0.22670.92420.68210.9589-0.31530.37741.3608-0.27862.4732245.5956144.4936-21.4366
331.70511.6598-2.30733.5295-2.80093.2815-0.2882-0.15080.3802-0.1441-0.2149-0.3169-0.01770.25840.46591.7266-1.35130.19593.07920.00533.1594254.6037148.8265-35.3016
343.5652.0449-0.23394.819-0.29383.8414-0.0521.31610.5473-1.0629-0.0533-0.60430.10990.47320.15931.59050.09820.43942.61550.38392.0002233.9269138.5599-36.7728
358.65970.43182.01390.22740.42312.9183-0.05610.14250.1253-0.27060.26310.23940.88940.1456-0.28031.52210.2574-0.14192.26950.12171.5944220.5122126.1744-38.3044
363.59170.7211-1.13920.28710.05240.92610.4772-0.21090.23290.07540.124-0.3438-0.3972-0.204-0.5281.096-0.39470.25211.33440.32062.6803235.6961137.353-29.9271
371.2852-1.84420.52243.0323-1.06773.2786-0.16450.6253-0.0282-0.65280.5146-0.71760.44430.8471-0.14220.8537-0.11470.70862.27570.01961.9723251.4233136.2541-29.5948
387.4609-2.33835.34636.01392.08566.5025-0.23980.9362-0.4741-0.5073-0.3289-0.620.4070.00910.481.7680.2210.66662.1670.21941.755238.7116130.4726-39.7835
391.18841.05671.92485.1923-0.35954.8772-0.2633-0.99410.56860.30440.21130.70380.1412-0.44580.07382.16110.04580.64562.5864-0.18662.2384220.4413126.6844-44.4873
406.41163.28360.53067.098-1.89250.97780.2042-0.2004-0.3812-0.79890.2631-0.00610.51480.7592-0.33350.76620.29890.30260.7666-0.08720.8498140.4186122.9796-30.6125
417.04247.28996.12138.39276.63455.4013-0.1336-0.07860.6842-0.85250.16680.1397-0.9646-0.01320.00490.84810.17170.28150.81620.15131.1239139.5799132.671-31.632
425.11732.59452.32625.9145.81865.780.17620.06210.69680.0654-0.41471.7613-0.4138-1.7580.21250.56450.17040.16250.90320.38991.1419126.9343126.02-27.5088
433.6265-1.0240.51072.22651.84727.4854-0.47470.24330.1599-0.0506-0.18651.7093-0.3842-0.60060.58361.09320.0194-0.01540.647-0.03381.4967130.921133.3366-29.9142
444.20681.58585.54524.86321.45887.4034-0.28730.7820.3186-0.35420.2259-0.248-0.16340.76570.01460.67230.17460.1940.85120.20031.387133.9446132.2138-38.6761
453.92211.8255.10272.62081.59236.97790.1864-0.22510.34080.90620.4558-0.31080.1761-0.064-0.59520.880.12820.33740.89010.00371.3805145.964140.1494-16.7595
467.71536.16493.11135.32453.46493.70860.2298-0.2911-0.07290.2989-0.2949-0.70980.07340.16040.06260.7920.11030.07780.6649-0.02351.0537143.6957129.4779-18.6294
471.26290.9497-2.04212.099-0.30694.4293-0.28540.32780.0161-0.1182-0.1249-0.15520.41360.50630.38010.7850.03070.05870.910.14990.557134.1952108.9933-24.6018
483.9359-1.39183.39285.6654-0.33553.0684-0.781-0.7324-1.92810.78140.6347-0.24111.65161.2370.20311.07620.53070.71770.90260.31551.5891125.6569109.764-12.567
497.4212-0.56492.79766.03385.35316.3010.2685-1.7392-0.56531.3824-0.97590.91210.5845-0.590.70551.0544-0.08790.18961.46640.03771.1861133.9025119.7169-8.7605
506.61763.41195.33455.74233.2074.375-0.1506-0.3975-0.04980.4290.07080.3573-0.0513-0.48830.05210.85910.19570.39620.69070.04980.9752126.4685118.9363-19.1013
516.83563.9684-0.39998.6612-2.8719.5904-0.0006-0.65641.290.7665-0.6570.1962-1.2297-0.55070.60160.92560.18170.22660.7634-0.04311.2816122.5255119.9801-15.7237
526.54434.3018-0.87793.1027-0.11820.94230.3977-0.6667-0.7540.4774-0.1445-0.2696-0.1227-0.3959-0.340.71140.17580.09460.73840.32220.7999131.3921117.3091-19.0599
531.68013.63060.21697.91150.38680.15650.4039-0.04570.5131-0.03410.3937-0.3163-0.07150.6761-0.66511.3997-0.18910.10011.3713-1.15543.9113238.9832167.2743-1.8891
547.3655.98551.17935.62770.04652.2542-0.23250.02990.37170.02840.01730.1933-0.39960.14860.19221.6329-0.4479-0.41861.8292-1.14643.0555249.496162.6963-1.1816
551.40011.0482-1.08771.7122-0.47560.9724-0.72530.3076-0.2157-0.51520.3583-0.4347-0.32820.74490.28771.2735-0.7548-0.09541.8892-0.59723.8845244.733159.7049-11.0876
562.5584-2.25690.94722.98270.94073.62240.8057-0.03851.37650.59220.21670.0736-0.70410.6962-0.81111.6123-0.42430.24511.2907-0.93114.3504239.2718165.5555-6.0817
570.10220.36390.57161.77033.03265.3653-0.66740.2446-0.0434-0.65660.2637-0.2534-0.20390.42710.33131.7834-0.1217-0.12571.6643-0.3583.2072229.0786173.2308-14.1295
580.7362-1.00460.81392.7173-0.65351.81030.1471-0.14471.4938-0.1103-0.4641-0.7005-0.50610.2020.21821.1417-0.36050.28242.0467-0.89322.7504226.1406147.6884-5.0414
593.855-4.3789-1.16767.29-1.18263.0731-0.1355-0.12410.1999-0.5140.30841.53150.6761-0.5667-0.06630.9922-0.4915-0.00742.0752-0.72082.2427223.3204125.2502-6.6281
602.8133-0.9520.0460.3377-0.15880.88810.04560.16410.1080.32040.12270.6592-0.175-0.1682-0.01121.22850.2033-0.05582.7172-1.49082.873221.4593160.752428.9738
610.4789-0.0268-1.48250.34120.75085.8587-0.1626-0.47150.68730.43680.3333-0.7342-1.45230.1237-0.28142.70860.1437-0.12252.3617-1.87323.6934227.3952164.799224.9838
623.94063.81420.0773.80.11020.1227-0.5752-0.2317-0.63180.4098-0.24040.43190.3603-0.43470.68811.28780.11850.35563.0094-1.22043.018225.5667140.789718.876
634.69730.63530.45067.21620.88112.83380.1798-0.37381.29860.21470.0402-0.19130.4501-0.6255-0.05591.2834-0.35970.16362.7118-1.03141.735218.7688134.320314.1826
649.4723-0.85-5.75373.6237-1.22137.4790.7952-2.25182.36562.3863-0.1873-0.0045-1.39211.2891-0.49322.73570.0028-0.55792.8336-1.50863.2411230.9467168.579331.9625
652.9636-3.0872-0.98573.92360.44610.8017-0.2535-0.15310.12270.10880.3169-0.60390.24820.4924-0.17322.79560.91130.45292.7426-1.72553.7699223.3049170.906240.7201
660.08070.09060.15760.09490.16830.40010.2962-0.65030.61780.1460.23510.7452-0.8543-0.1674-0.39051.67310.92320.15573.5382-1.21492.9818215.6144158.564737.148
671.33-0.8232-1.23680.60140.69671.42460.10170.0208-0.67220.0905-0.7160.44260.556-0.49870.53181.81910.2162-0.10092.5768-1.11882.8004226.8723154.792635.4072
686.8246-1.76135.09742.1357-1.64284.3077-0.2747-0.03820.5278-0.11340.30340.4955-0.0797-0.9534-0.05520.8483-0.02720.32990.81490.15851.19213.6839118.9149-69.6273
693.568-0.15730.94742.9342-0.96886.97790.1789-0.19750.4970.03040.1233-0.2599-0.35380.5118-0.27480.99230.10430.4691.49460.20141.5353217.6943115.1529-62.9416
706.72060.9466-3.49545.4832-1.87258.03111.1177-0.31080.7595-0.2892-0.438-1.309-0.34010.7614-0.64370.95770.00450.19660.98850.0871.7923221.75122.2447-64.7615
716.49394.5971-1.06453.4584-1.79886.4973-0.50870.23810.758-0.6444-0.31530.0996-0.1342-0.68860.69780.99760.00420.0281.18260.02941.1533211.7989126.1584-65.0198
723.0211-0.43963.13665.69613.38725.8775-0.12880.23691.0989-0.04-0.9604-1.2163-1.42211.54110.98961.544-0.23460.1971.28360.59982.0192211.5094130.1299-69.9525
731.09171.9648-0.89936.7878-4.81354.88050.42830.3738-0.1811-0.0019-0.7343-0.14290.26970.93710.37741.13940.020.47821.4606-0.19721.2029194.0787110.4568-57.811
744.2639-3.92176.4493.5896-5.90599.69190.63190.2282-0.2654-0.245-0.02990.12220.97980.3363-0.56940.86940.1684-0.17050.9647-0.05260.9706153.461889.1206-13.748
753.79370.6154-1.12743.16540.4641.40.08710.0017-0.31240.5694-0.0058-0.7030.47090.4312-0.07781.2550.3492-0.23241.19750.07931.2877173.771578.986610.9627
768.509-7.6252-1.61289.7374-2.13954.7307-0.4782-0.5421-0.4011-0.46760.24310.711.80960.45330.17971.18130.271-0.08482.1736-0.73922.2344275.0179116.9808-8.0188
775.4425-3.25172.2083.7435-2.06913.1849-0.1978-0.21650.80790.0510.1127-0.1036-0.2852-0.0080.10110.74690.5863-0.32291.5818-0.00182.0207269.8278121.1981-4.7877
785.59640.58611.91943.7218-2.52823.9531-0.0992-0.0750.82240.1637-0.8491-0.5472-0.2894-0.23720.95390.82970.01690.03521.8901-0.61092.0516276.794122.8402-0.522
793.63130.7911-2.11636.7699-1.22034.8112-0.2353-1.1677-0.82840.53980.5507-1.6862-0.03551.6391-0.21910.99690.1637-0.25651.7626-0.18521.4922266.3574104.67798.6606
805.62890.29421.44643.1926-1.13493.5095-0.0991-0.3965-0.06520.19660.0340.64610.482-0.83560.09521.3111-0.2777-0.1712.66690.25831.9034250.679898.486613.2218
817.11341.57680.52454.65161.04673.7528-0.3496-0.1553-0.7824-0.06220.29360.5208-0.1687-0.01540.14140.93660.0692-0.18491.92040.00492.0253241.7977103.36941.7697
825.6978-0.9181-3.5046.1245-3.71975.24610.2696-1.00540.17131.1132-0.18750.2276-0.0794-0.1951-0.04492.47460.7972-0.24583.4588-0.11141.0802220.3358115.229534.0523
832.43081.08910.79952.6751-1.4821.8122-0.1048-0.7938-0.39111.36790.55791.932-0.3414-0.9576-0.37291.5666-0.14390.03873.7622-0.0462.1494232.6169117.193338.1858
841.27481.17250.171.15650.25130.523-0.59910.11950.5420.0969-0.62940.22090.3187-0.2851.09361.384-0.30460.03533.1256-0.13251.9928229.0622119.53430.7233
850.95471.22752.57531.90543.48737.0708-0.0288-0.13950.0851-0.0104-0.019-0.58130.68240.75660.0281.84720.37280.13622.7931-0.67962.2382216.08122.790327.0389
861.55430.6296-0.12362.5274-1.59463.3235-0.4146-0.53070.94280.1966-0.3599-0.31630.3222-0.16410.66411.1270.0679-0.22982.3654-0.81521.7009217.0983132.764120.8425
879.25075.2761-3.59379.5368-3.26241.9721-0.15771.89720.6918-1.6950.61370.0959-0.5553-0.34-0.47661.50040.14480.11671.58270.27570.9924142.043111.1627-74.2204
882.6679-3.80030.3615.70930.30813.10610.6120.9755-0.297-0.9435-0.00440.1651-0.2576-0.2223-0.5931.0955-0.0603-0.13221.08090.07170.7348145.3698104.7283-66.5991
891.9701-1.40190.4192.9830.50642.54770.2714-1.1564-0.86790.06540.1543-0.01910.04010.5621-0.39150.81310.0965-0.08551.14960.02730.9179144.0514102.2095-56.4644
903.9389-1.2276-4.54849.69051.43555.2516-0.40390.5036-1.0816-0.40450.13931.25211.3634-1.220.29511.155-0.1776-0.22241.19540.07851.5081131.404798.289-63.7724
915.2145-0.38921.80221.0141-1.38582.22480.2007-0.41740.21320.15750.0822-0.11730.13040.4396-0.26421.25140.18880.53930.88850.21861.2254117.154976.811814.6796
921.44350.1981.79431.25640.64824.90570.1362-0.16140.38990.2941-0.18390.87090.58730.05580.08571.2612-0.15840.41490.7148-0.03451.6143114.755977.209710.1344
936.28854.8525.30995.15085.8526.6736-0.3916-0.29130.8850.20420.16450.61-0.68110.21920.34051.86670.04160.92050.61130.03271.6037109.116486.547620.1818
947.13134.2397-0.75262.524-0.37082.2722-0.5854-0.03270.7645-0.7496-0.2239-0.042-0.4822-0.26890.65551.24190.15380.47131.18060.65063.0701100.653979.08764.8076
953.73711.6896-0.55814.46093.64077.46020.2597-0.7941-0.72080.3683-1.0330.56960.48880.01180.7431.7312-0.16050.77870.81090.13342.092100.794675.026415.5156
963.4397-0.2009-0.44555.85251.5833.46490.3280.68990.2052-0.19390.329-0.18380.1654-0.4502-0.55630.7344-0.1327-0.06180.8730.29631.1127120.562480.8337-38.7723
973.09442.2750.86545.13311.29221.983-0.21010.13970.3036-0.83480.1040.83240.0348-0.21770.1030.7996-0.0499-0.05990.82660.2181.1656122.564784.7242-35.8822
984.8674-6.10823.40338.0225-3.47534.35530.0240.2269-0.5348-0.02210.36060.58360.26910.1248-0.42351.1086-0.27180.01511.05270.02861.4355138.694785.855-44.6263
993.5528-4.067-0.23666.4463-2.71544.9949-0.3708-0.82841.33160.4449-0.0848-0.1485-1.3172-0.18260.49891.76310.10310.76951.1372-0.48572.6213180.8919139.9663-63.6528
1001.03311.0847-0.07083.64932.95433.659-0.01070.0070.0982-0.1368-0.15780.2905-0.2586-0.03150.1482.2925-0.25490.75621.53330.18371.6583175.0685141.4035-71.8699
1012.5649-1.4143-4.3760.78312.41117.4578-0.25290.24410.1177-0.4495-0.8667-0.1312-0.2665-0.04570.89021.34440.33240.07711.63590.32611.5372173.0103129.19-76.8326
1028.77363.48827.52223.09643.35237.1768-0.1651.06041.053-1.4552-0.26-1.4427-1.66741.78040.32421.07350.14670.50721.02630.57361.7532181.8401133.3049-74.7829
1036.8366-4.4809-2.2573.92974.35769.0972-0.07280.0350.365-0.45120.5944-2.6899-0.63011.9493-0.51760.9016-0.10010.05061.4859-0.04591.4588187.2792128.668-66.1913
1047.9884-3.1451-3.01779.42323.61269.63910.4837-0.45660.44890.21670.60270.5733-0.0479-0.0843-1.09511.0240.08970.23671.05060.26570.7294176.4028127.1586-67.1474
1054.3789-0.24220.92743.28721.10565.2736-0.2983-0.02360.5138-0.33450.1043-0.8935-0.14040.71240.03621.24190.16180.3081.41960.32091.6278193.5976126.1331-71.1173
1061.7592.0611-1.56623.1993-3.65377.6378-0.1630.573-0.4875-1.26530.15011.02041.6707-2.0072-0.08592.02280.6518-1.04722.9795-1.16152.3626252.9836112.657727.8979
1070.286-0.1103-0.17620.67120.550.4785-0.5624-0.70060.59020.5666-0.10490.0122-0.2107-0.30580.5752.76961.1485-1.00413.9579-0.31381.7203252.924898.290741.7179
1084.92594.2782-2.28035.58940.20174.150.1162-0.114-0.90880.12630.06940.05660.3720.0168-0.2951.65180.1686-0.34443.28420.58462.1132247.944192.125236.5662
1091.0825-1.9816-1.50093.62912.74112.179-0.4708-2.01251.40761.0886-0.3937-0.8474-0.6330.56560.73091.4445-0.4662-0.61093.72690.23232.7932248.1202103.710228.8064
1100.78310.0493-0.56921.8491-0.25680.4932-0.23720.19190.42960.32290.0244-0.57080.1420.36590.18161.52720.3779-0.19353.50750.51122.5204251.4295.122228.1854
1116.2882-0.78993.48241.8029-2.76485.11460.1324-1.1107-0.2939-0.3004-0.361-0.9020.50160.9560.17861.67760.6447-0.22062.57240.17562.4305243.201995.658817.098
1122.4807-0.64343.19631.3851-0.18627.89470.3793-0.08380.0192-0.18440.23230.61450.6031-0.2913-0.66691.1291-0.17780.25610.61080.2861.4849108.489741.5877-20.4376
1133.1901-1.48521.80750.792-0.79081.36540.3269-0.43860.94121.39420.28141.52-0.7223-0.8783-0.57161.32120.05450.42311.37220.26281.7562105.990151.5079-15.3929
1141.7031.28463.89781.06012.89748.9332-0.48190.6440.3315-0.08170.2274-0.0564-0.55030.61280.18291.0051-0.32530.07591.12990.65512.2267103.869151.9012-32.0452
1156.3416-4.1886-0.9643.13471.51122.2238-0.3827-0.0136-0.1893-0.118-0.89290.55360.6608-0.0911.12251.5593-0.33590.08161.42420.34311.753593.466647.4294-40.3453
1167.3634-2.26391.43814.11452.39462.6320.1213-0.3521-0.60460.4088-0.56470.64660.14030.06150.37441.3905-0.43440.02552.0247-0.44942.4982252.384124.86793.0939
1175.3575-2.44321.95221.3964-0.30242.0055-0.018-0.1460.296-0.34440.0272-0.136-0.24480.25920.02441.654-0.0035-0.25321.4885-0.58561.9851249.0379129.67084.9911
1186.08321.05270.65872.11141.62334.6768-0.59580.08980.4584-0.08080.1455-0.0756-0.59280.28720.25672.2352-0.9603-0.13142.8645-1.17762.1916254.5791132.84111.498
精密化 TLSグループ
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resseq 5:920)A5 - 920
2X-RAY DIFFRACTION2chain 'A' and (resseq 921:1400)A921 - 1400
3X-RAY DIFFRACTION3chain 'A' and (resseq 1401:1544)A0
4X-RAY DIFFRACTION4chain 'B' and (resseq 7:25)B7 - 25
5X-RAY DIFFRACTION5chain 'B' and (resseq 26:64)B26 - 64
6X-RAY DIFFRACTION6chain 'B' and (resseq 65:86)B65 - 86
7X-RAY DIFFRACTION7chain 'B' and (resseq 87:122)B87 - 122
8X-RAY DIFFRACTION8chain 'B' and (resseq 123:148)B123 - 148
9X-RAY DIFFRACTION9chain 'B' and (resseq 149:226)B149 - 226
10X-RAY DIFFRACTION10chain 'B' and (resseq 227:240)B227 - 240
11X-RAY DIFFRACTION11chain 'C' and (resseq 2:112)C2 - 112
12X-RAY DIFFRACTION12chain 'C' and (resseq 113:207)C113 - 207
13X-RAY DIFFRACTION13chain 'D' and (resseq 2:34)D2 - 34
14X-RAY DIFFRACTION14chain 'D' and (resseq 35:67)D35 - 67
15X-RAY DIFFRACTION15chain 'D' and (resseq 68:148)D68 - 148
16X-RAY DIFFRACTION16chain 'D' and (resseq 149:181)D149 - 181
17X-RAY DIFFRACTION17chain 'D' and (resseq 182:209)D182 - 209
18X-RAY DIFFRACTION18chain 'E' and (resseq 5:14)E5 - 14
19X-RAY DIFFRACTION19chain 'E' and (resseq 15:27)E15 - 27
20X-RAY DIFFRACTION20chain 'E' and (resseq 28:50)E28 - 50
21X-RAY DIFFRACTION21chain 'E' and (resseq 51:63)E51 - 63
22X-RAY DIFFRACTION22chain 'E' and (resseq 64:79)E64 - 79
23X-RAY DIFFRACTION23chain 'E' and (resseq 80:86)E80 - 86
24X-RAY DIFFRACTION24chain 'E' and (resseq 87:103)E87 - 103
25X-RAY DIFFRACTION25chain 'E' and (resseq 104:140)E104 - 140
26X-RAY DIFFRACTION26chain 'E' and (resseq 141:154)E141 - 154
27X-RAY DIFFRACTION27chain 'F' and (resseq 1:32)F1 - 32
28X-RAY DIFFRACTION28chain 'F' and (resseq 33:92)F33 - 92
29X-RAY DIFFRACTION29chain 'F' and (resseq 93:101)F93 - 101
30X-RAY DIFFRACTION30chain 'G' and (resseq 2:11)G2 - 11
31X-RAY DIFFRACTION31chain 'G' and (resseq 12:20)G12 - 20
32X-RAY DIFFRACTION32chain 'G' and (resseq 21:52)G21 - 52
33X-RAY DIFFRACTION33chain 'G' and (resseq 53:57)G53 - 57
34X-RAY DIFFRACTION34chain 'G' and (resseq 58:79)G58 - 79
35X-RAY DIFFRACTION35chain 'G' and (resseq 80:92)G80 - 92
36X-RAY DIFFRACTION36chain 'G' and (resseq 93:109)G93 - 109
37X-RAY DIFFRACTION37chain 'G' and (resseq 110:129)G110 - 129
38X-RAY DIFFRACTION38chain 'G' and (resseq 130:144)G130 - 144
39X-RAY DIFFRACTION39chain 'G' and (resseq 145:156)G145 - 156
40X-RAY DIFFRACTION40chain 'H' and (resseq 1:18)H1 - 18
41X-RAY DIFFRACTION41chain 'H' and (resseq 19:29)H19 - 29
42X-RAY DIFFRACTION42chain 'H' and (resseq 30:41)H30 - 41
43X-RAY DIFFRACTION43chain 'H' and (resseq 42:53)H42 - 53
44X-RAY DIFFRACTION44chain 'H' and (resseq 54:62)H54 - 62
45X-RAY DIFFRACTION45chain 'H' and (resseq 63:72)H63 - 72
46X-RAY DIFFRACTION46chain 'H' and (resseq 73:85)H73 - 85
47X-RAY DIFFRACTION47chain 'H' and (resseq 86:95)H86 - 95
48X-RAY DIFFRACTION48chain 'H' and (resseq 96:100)H96 - 100
49X-RAY DIFFRACTION49chain 'H' and (resseq 101:106)H101 - 106
50X-RAY DIFFRACTION50chain 'H' and (resseq 107:116)H107 - 116
51X-RAY DIFFRACTION51chain 'H' and (resseq 117:127)H117 - 127
52X-RAY DIFFRACTION52chain 'H' and (resseq 128:138)H128 - 138
53X-RAY DIFFRACTION53chain 'I' and (resseq 2:25)I2 - 25
54X-RAY DIFFRACTION54chain 'I' and (resseq 26:32)I26 - 32
55X-RAY DIFFRACTION55chain 'I' and (resseq 33:53)I33 - 53
56X-RAY DIFFRACTION56chain 'I' and (resseq 54:88)I54 - 88
57X-RAY DIFFRACTION57chain 'I' and (resseq 89:97)I89 - 97
58X-RAY DIFFRACTION58chain 'I' and (resseq 98:117)I98 - 117
59X-RAY DIFFRACTION59chain 'I' and (resseq 118:128)I118 - 128
60X-RAY DIFFRACTION60chain 'J' and (resseq 3:29)J3 - 29
61X-RAY DIFFRACTION61chain 'J' and (resseq 30:42)J30 - 42
62X-RAY DIFFRACTION62chain 'J' and (resseq 43:47)J43 - 47
63X-RAY DIFFRACTION63chain 'J' and (resseq 48:70)J48 - 70
64X-RAY DIFFRACTION64chain 'J' and (resseq 71:78)J71 - 78
65X-RAY DIFFRACTION65chain 'J' and (resseq 79:85)J79 - 85
66X-RAY DIFFRACTION66chain 'J' and (resseq 86:93)J86 - 93
67X-RAY DIFFRACTION67chain 'J' and (resseq 94:100)J94 - 100
68X-RAY DIFFRACTION68chain 'K' and (resseq 11:34)K11 - 34
69X-RAY DIFFRACTION69chain 'K' and (resseq 35:57)K35 - 57
70X-RAY DIFFRACTION70chain 'K' and (resseq 58:75)K58 - 75
71X-RAY DIFFRACTION71chain 'K' and (resseq 76:100)K76 - 100
72X-RAY DIFFRACTION72chain 'K' and (resseq 101:110)K101 - 110
73X-RAY DIFFRACTION73chain 'K' and (resseq 111:126)K111 - 126
74X-RAY DIFFRACTION74chain 'L' and (resseq 5:32)L5 - 32
75X-RAY DIFFRACTION75chain 'L' and (resseq 33:128)L33 - 128
76X-RAY DIFFRACTION76chain 'M' and (resseq 2:14)M2 - 14
77X-RAY DIFFRACTION77chain 'M' and (resseq 15:21)M15 - 21
78X-RAY DIFFRACTION78chain 'M' and (resseq 22:61)M22 - 61
79X-RAY DIFFRACTION79chain 'M' and (resseq 62:83)M62 - 83
80X-RAY DIFFRACTION80chain 'M' and (resseq 84:93)M84 - 93
81X-RAY DIFFRACTION81chain 'M' and (resseq 94:119)M94 - 119
82X-RAY DIFFRACTION82chain 'N' and (resseq 2:11)N2 - 11
83X-RAY DIFFRACTION83chain 'N' and (resseq 12:16)N12 - 16
84X-RAY DIFFRACTION84chain 'N' and (resseq 17:24)N17 - 24
85X-RAY DIFFRACTION85chain 'N' and (resseq 25:29)N25 - 29
86X-RAY DIFFRACTION86chain 'N' and (resseq 30:61)N30 - 61
87X-RAY DIFFRACTION87chain 'O' and (resseq 2:15)O2 - 15
88X-RAY DIFFRACTION88chain 'O' and (resseq 16:49)O16 - 49
89X-RAY DIFFRACTION89chain 'O' and (resseq 50:73)O50 - 73
90X-RAY DIFFRACTION90chain 'O' and (resseq 74:88)O74 - 88
91X-RAY DIFFRACTION91chain 'P' and (resseq 1:19)P1 - 19
92X-RAY DIFFRACTION92chain 'P' and (resseq 20:43)P20 - 43
93X-RAY DIFFRACTION93chain 'P' and (resseq 44:52)P44 - 52
94X-RAY DIFFRACTION94chain 'P' and (resseq 53:62)P53 - 62
95X-RAY DIFFRACTION95chain 'P' and (resseq 63:83)P63 - 83
96X-RAY DIFFRACTION96chain 'Q' and (resseq 2:17)Q2 - 17
97X-RAY DIFFRACTION97chain 'Q' and (resseq 18:82)Q18 - 82
98X-RAY DIFFRACTION98chain 'Q' and (resseq 83:100)Q83 - 100
99X-RAY DIFFRACTION99chain 'R' and (resseq 19:23)R19 - 23
100X-RAY DIFFRACTION100chain 'R' and (resseq 24:28)R24 - 28
101X-RAY DIFFRACTION101chain 'R' and (resseq 29:36)R29 - 36
102X-RAY DIFFRACTION102chain 'R' and (resseq 37:43)R37 - 43
103X-RAY DIFFRACTION103chain 'R' and (resseq 44:52)R44 - 52
104X-RAY DIFFRACTION104chain 'R' and (resseq 53:76)R53 - 76
105X-RAY DIFFRACTION105chain 'R' and (resseq 77:88)R77 - 88
106X-RAY DIFFRACTION106chain 'S' and (resseq 2:12)S2 - 12
107X-RAY DIFFRACTION107chain 'S' and (resseq 13:25)S13 - 25
108X-RAY DIFFRACTION108chain 'S' and (resseq 26:35)S26 - 35
109X-RAY DIFFRACTION109chain 'S' and (resseq 36:40)S36 - 40
110X-RAY DIFFRACTION110chain 'S' and (resseq 41:70)S41 - 70
111X-RAY DIFFRACTION111chain 'S' and (resseq 71:81)S71 - 81
112X-RAY DIFFRACTION112chain 'T' and (resseq 8:66)T8 - 66
113X-RAY DIFFRACTION113chain 'T' and (resseq 67:75)T67 - 75
114X-RAY DIFFRACTION114chain 'T' and (resseq 76:91)T76 - 91
115X-RAY DIFFRACTION115chain 'T' and (resseq 92:106)T92 - 106
116X-RAY DIFFRACTION116chain 'U' and (resseq 2:8)U2 - 8
117X-RAY DIFFRACTION117chain 'U' and (resseq 9:15)U9 - 15
118X-RAY DIFFRACTION118chain 'U' and (resseq 16:25)U16 - 25

+
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

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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

+
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