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- PDB-4ji8: Crystal Structure of 30S ribosomal subunit from Thermus thermophilus -

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基本情報

登録情報
データベース: PDB / ID: 4ji8
タイトルCrystal Structure of 30S ribosomal subunit from Thermus thermophilus
要素
  • (RIBOSOMAL PROTEIN ...) x 20
  • 16S rRNA
キーワードRibosome/Antibiotic / 30S ribosomal subunit / Ribosome / Streptomycin / RNA structure / Thermus thermophilus / Antibiotic resistance / Decoding / Ribosome-Antibiotic complex
機能・相同性
機能・相同性情報


ribosomal small subunit assembly / small ribosomal subunit / cytosolic small ribosomal subunit / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / ribonucleoprotein complex / translation / mRNA binding ...ribosomal small subunit assembly / small ribosomal subunit / cytosolic small ribosomal subunit / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / ribonucleoprotein complex / translation / mRNA binding / zinc ion binding / metal ion binding / cytosol / cytoplasm
類似検索 - 分子機能
Ribosomal protein S4/S9, N-terminal domain / Ribosomal Protein S4 Delta 41; Chain A, domain 1 / 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 S4/S9, N-terminal domain / Ribosomal Protein S4 Delta 41; Chain A, domain 1 / 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 S8; Chain: A, domain 1 - #30 / RNA-binding S4 domain / Ribosomal Protein S7 / Ribosomal protein S7/S5 / Ribosomal protein S6/Translation elongation factor EF1B / Ribosomal protein S3 C-terminal domain / Helix hairpin bin / Dna Ligase; domain 1 - #10 / Ribosomal protein S11/S14 / Ribosomal protein S10 / Structural Genomics Hypothetical 15.5 Kd Protein In mrcA-pckA Intergenic Region; Chain A / S15/NS1, RNA-binding / K homology (KH) domain / Double Stranded RNA Binding Domain - #20 / Helicase, Ruva Protein; domain 3 - #50 / 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 / Double Stranded RNA Binding Domain / Ribosomal protein S14, type Z / Helicase, Ruva Protein; domain 3 / Nucleic acid-binding proteins / Dna Ligase; domain 1 / Methane Monooxygenase Hydroxylase; Chain G, domain 1 / Ribosomal protein S14/S29 / Ribosomal protein S3, bacterial-type / Ribosomal protein S6, conserved site / Ribosomal protein S6 signature. / Ribosomal protein S19, bacterial-type / Ribosomal protein S13, bacterial-type / Ribosomal protein S7, bacterial/organellar-type / Ribosomal protein S11, bacterial-type / Ribosomal protein S20 / Ribosomal protein S20 superfamily / Ribosomal protein S20 / Ribosomal protein S9, bacterial/plastid / Ribosomal protein S4, bacterial-type / 30S ribosomal protein S17 / Ribosomal protein S5, bacterial-type / Ribosomal protein S6, plastid/chloroplast / Ribosomal protein S2, bacteria/mitochondria/plastid / Ribosomal protein S18, conserved site / Ribosomal protein S18 signature. / Ribosomal protein S16 / Ribosomal protein S16 domain superfamily / Ribosomal protein S16 / Ribosomal protein S15, bacterial-type / Ribosomal protein S6 / Ribosomal protein S6 / Ribosomal protein S6 superfamily / Ribosomal protein S12, bacterial-type / Translation elongation factor EF1B/ribosomal protein S6 / Ribosomal protein S18 / Ribosomal protein S18 / Ribosomal protein S18 superfamily / K Homology domain / K homology RNA-binding domain / Few Secondary Structures / Irregular / Ribosomal protein S10, conserved site / Ribosomal protein S10 signature. / Ribosomal protein S3, conserved site / Ribosomal protein S3 signature. / Ribosomal protein S14, conserved site / Ribosomal protein S14 signature. / Ribosomal protein S2 signature 1. / KH domain / Type-2 KH domain profile. / K Homology domain, type 2 / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / 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: 3.742 Å
データ登録者Demirci, H. / Wang, L. / Murphy IV, F. / Murphy, E. / Carr, J. / Blanchard, S. / Jogl, G. / Dahlberg, A.E. / Gregory, S.T.
引用ジャーナル: Rna / 年: 2013
タイトル: The central role of protein S12 in organizing the structure of the decoding site of the ribosome.
著者: Demirci, H. / Wang, L. / Murphy, F.V. / Murphy, E.L. / Carr, J.F. / Blanchard, S.C. / Jogl, G. / Dahlberg, A.E. / Gregory, S.T.
履歴
登録2013年3月5日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02013年11月6日Provider: repository / タイプ: Initial release
改定 1.12013年12月4日Group: Database references
改定 1.22024年2月28日Group: Data collection / Database references / Derived calculations
カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / 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: RIBOSOMAL PROTEIN S2
C: RIBOSOMAL PROTEIN S3
D: RIBOSOMAL PROTEIN S4
E: RIBOSOMAL PROTEIN S5
F: RIBOSOMAL PROTEIN S6
G: RIBOSOMAL PROTEIN S7
H: RIBOSOMAL PROTEIN S8
I: RIBOSOMAL PROTEIN S9
J: RIBOSOMAL PROTEIN S10
K: RIBOSOMAL PROTEIN S11
L: RIBOSOMAL PROTEIN S12
M: RIBOSOMAL PROTEIN S13
N: RIBOSOMAL PROTEIN S14
O: RIBOSOMAL PROTEIN S15
P: RIBOSOMAL PROTEIN S16
Q: RIBOSOMAL PROTEIN S17
R: RIBOSOMAL PROTEIN S18
S: RIBOSOMAL PROTEIN S19
T: RIBOSOMAL PROTEIN S20
U: RIBOSOMAL PROTEIN THX
ヘテロ分子


分子量 (理論値)分子数
合計 (水以外)794,754438
ポリマ－783,98021
非ポリマー10,775417
水26,3741464
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)400.305, 400.305, 214.785
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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RIBOSOMAL PROTEIN ... , 20種, 20分子 BCDEFGHIJKLMNOPQRSTU

#2: タンパク質 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 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 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 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 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 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 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 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 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 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 RIBOSOMAL PROTEIN S12


分子量: 15009.848 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 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 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 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 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 RIBOSOMAL PROTEIN S17


分子量: 12325.655 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 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 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 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 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, 1881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: 414 / 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: 1464 / 由来タイプ: 天然 / 式: H2O

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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: 5.42 Å3/Da / 溶媒含有率: 77 %
結晶化温度: 277 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 6.5
詳細: MPD , pH 6.5, VAPOR DIFFUSION, 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: SLS / ビームライン: X06SA / 波長: 0.98 Å
検出器タイプ: DECTRIS PILATUS 6M / 検出器: PIXEL / 日付: 2011年2月6日
放射モノクロメーター: LN2 cooled fixed-exit Si(111) monochromator
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数: 3225504 / Rmerge(I) obs: 0.132 / D res high: 3.74 Å / Num. obs: 177718 / % possible obs: 99.7
Diffraction reflection shell
最高解像度 (Å)最低解像度 (Å)Num. obs% possible obs (%)IDRmerge(I) obs
3.743.972794398.311.625
3.974.242671510010.872
4.244.582493910010.493
4.585.012302010010.278
5.015.592090010010.171
5.596.451852510010.12
6.457.861581010010.078
7.8610.981243410010.053
10.9850743298.610.034
反射解像度: 3.74→50 Å / Num. all: 177718 / Num. obs: 177718 / % possible obs: 99.7 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Biso Wilson estimate: 138.037 Å2 / Rmerge(I) obs: 0.132 / Net I/σ(I): 18.11
反射 シェル
解像度 (Å)Rmerge(I) obsMean I/σ(I) obsNum. measured obsNum. unique obsDiffraction-ID% possible all
3.74-3.970.0161.8751401927943198.3
3.97-4.240.0163.53486596267151100
4.24-4.580.0166.42463501249391100
4.58-5.010.01611.2424847230201100
5.01-5.590.01617.66379086209001100
5.59-6.450.01624.98343244185251100
6.45-7.860.01637.67281527158101100
7.86-10.980.01654.33213554124341100
10.98-500.01674.061191307432198.6

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解析

ソフトウェア
名称バージョン分類NB
XSCALEデータスケーリング
PHENIXdev_1119精密化
PDB_EXTRACT3.11データ抽出
XDSデータスケーリング
PHENIXdev_1119位相決定
精密化構造決定の手法: フーリエ合成 / 解像度: 3.742→49.854 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.8945 / SU ML: 0.4 / σ(F): 1.99 / 位相誤差: 17.36 / 立体化学のターゲット値: ML
Rfactor反射数%反射Selection details
Rfree0.1873 8970 5.05 %FROM PDB ENTRY 2VQE
Rwork0.1368 ---
all0.1393 177681 --
obs0.1393 177681 99.71 %-
溶媒の処理減衰半径: 0.8 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 max: 550 Å2 / Biso mean: 154.6193 Å2 / Biso min: 33.2 Å2
精密化ステップサイクル: LAST / 解像度: 3.742→49.854 Å
タンパク質核酸リガンド溶媒全体
原子数19093 32550 456 1464 53563
拘束条件
Refine-IDタイプDev ideal数
X-RAY DIFFRACTIONf_bond_d0.02257343
X-RAY DIFFRACTIONf_angle_d2.9586335
X-RAY DIFFRACTIONf_chiral_restr0.13810409
X-RAY DIFFRACTIONf_plane_restr0.0134884
X-RAY DIFFRACTIONf_dihedral_angle_d21.3126031
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 (%)
3.742-3.78450.31592960.26745103539992
3.7845-3.8290.29713010.241455815882100
3.829-3.87570.28173300.228555335863100
3.8757-3.92470.30573070.242555825889100
3.9247-3.97640.28912990.211555735872100
3.9764-4.03080.24973110.194855425853100
4.0308-4.08840.2372790.181256435922100
4.0884-4.14940.2343160.164655425858100
4.1494-4.21420.2392920.166256215913100
4.2142-4.28320.22832830.15755925875100
4.2832-4.3570.18942830.14156235906100
4.357-4.43620.2073190.137155495868100
4.4362-4.52150.20832470.141256555902100
4.5215-4.61370.19222780.135656255903100
4.6137-4.7140.17223150.119355905905100
4.714-4.82350.16772870.106256175904100
4.8235-4.94410.15132850.104356405925100
4.9441-5.07760.14772760.101656285904100
5.0776-5.22690.15053160.101356275943100
5.2269-5.39540.16972920.102556365928100
5.3954-5.5880.15573050.098456165921100
5.588-5.81140.13892680.093857115979100
5.8114-6.07540.15172980.102256355933100
6.0754-6.39510.16953200.101456455965100
6.3951-6.79490.14593060.098656635969100
6.7949-7.3180.17182980.102856965994100
7.318-8.05170.15732980.105957256023100
8.0517-9.21040.16433110.120957306041100
9.2104-11.58020.17563220.134257936115100
11.5802-49.85840.21723320.198459956327100
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)
10.3084-0.01280.00250.3993-0.18930.27570.0295-0.0510.15710.22130.11390.0575-0.17180.0175-0.16151.140.14460.23690.9499-0.13531.0613143.959182.695244.3024
20.74190.14420.09040.69230.03520.43430.13630.0547-0.1438-0.14080.21570.40750.0963-0.3345-0.34181.2460.0578-0.12671.40410.38831.705370.392725.039729.0402
31.48120.661-0.6970.7427-0.34690.2712-0.131-0.0409-0.5444-0.07540.0937-0.1226-0.04710.08610.0251.44810.25460.1021.4602-0.13451.2928150.538958.735657.9451
40.28540.05930.48060.04590.0980.8489-0.029-0.2126-0.1131-1.69720.2739-1.12260.3323-1.3591-0.24343.9238-0.27680.65872.66930.21232.006997.111438.097669.8207
51.7291.88670.60782.12860.25614.68840.1147-0.0144-0.28090.1686-0.214-0.36240.2372-1.28840.18281.54240.4990.43131.3774-0.10391.172170.959698.637569.1321
64.981-0.67284.3885.358-0.15763.9145-0.57311.06541.1946-0.5225-0.1021-0.63210.1961.15280.72311.87250.38240.80232.26450.50981.796974.6024103.404661.6961
77.0194-3.874.64762.1731-2.89956.55350.0303-1.0743-0.4569-0.6845-0.772-0.21711.2475-1.29460.66371.71230.03220.55251.38860.20031.60162.210289.968454.0974
81.94410.03191.31074.87123.82597.22640.2943-0.5737-0.2680.08660.31732.46210.663-1.2016-0.75691.41320.0680.26511.38990.49332.239963.826681.118142.5217
95.35694.1648-0.79027.57743.04053.4640.02062.3511-1.0405-0.88810.60122.6120.16050.4974-0.60311.57110.314-0.58772.7210.44032.255753.17867.916641.1486
105.38470.7183-1.95836.78546.58857.70780.1143-0.59610.81030.13410.26970.31640.32090.1796-0.39641.09140.4850.35091.31470.39661.525170.282293.971253.2199
111.04170.99280.28651.01760.29830.0886-0.2875-0.02781.38041.56820.4151.3798-1.3383-1.9488-0.22731.76880.98180.66672.5879-0.55592.915552.550798.750558.2594
120.99390.3813-1.73327.4774-4.82815.4320.04040.70120.0893-0.74760.4861.15650.2321-0.3935-0.56791.1481-0.0241-0.25051.83840.27831.182163.817744.54234.2306
132.1375-2.8434-3.11436.98635.05474.9707-0.0220.19020.204-0.61770.71690.3105-0.88110.0712-0.67261.2148-0.09280.01351.38320.58481.31878.569156.029618.3659
144.833-5.37863.41216.1849-3.43383.07750.58460.19370.2809-0.2761-0.3378-1.3221-0.51872.095-0.10860.7032-0.2190.08471.3578-0.30091.3316111.434982.2561-3.9637
156.50052.1923-1.08515.24785.10437.40240.3440.13010.4429-0.92020.60750.5905-0.2034-1.7556-0.921.29440.35660.04691.26630.54441.4901108.161777.3698.5235
163.47160.91412.074.57380.5982.0764-0.28540.3004-0.51620.05530.3070.02050.55531.49860.02961.11720.23130.38761.04960.13011.2149125.340396.27721.5791
174.2473-4.8751-2.41519.70685.32196.00230.99682.17331.4803-2.7486-0.61530.3621-2.191-1.2255-0.36851.54290.0761-0.07151.65250.58451.1815119.9128102.2744-14.592
189.72415.8314-5.80617.4009-4.61579.65350.2375-0.68980.47381.35680.14391.872-1.8549-1.5643-0.39261.20780.36060.27461.2025-0.12821.2171115.056896.98519.8136
192.7912-3.43053.36494.9908-5.82377.73490.07150.9971-0.0101-2.26630.76710.69340.5881-0.4591-0.77721.435-0.4362-0.33280.91670.02851.15495.988180.526426.0834
205.29040.538-5.06532.67650.51265.25410.444-0.13230.22922.20251.14520.2203-2.0765-2.143-1.53461.48420.19810.00761.14340.25631.30292.848258.83237.8488
218.29236.1937-5.92764.9224-5.32976.99260.24010.03970.62430.0130.17931.4771-0.0012-1.3992-0.47920.7632-0.2113-0.09081.29130.17611.144593.603281.679729.7287
222.829-4.1216-3.92146.00565.71415.4364-0.4797-0.59140.9308-0.2506-0.4062.8086-0.0116-2.19760.96610.76150.1640.17791.97510.38391.934987.882877.527329.4319
236.77922.25730.70818.01770.60286.76160.2047-0.15152.24221.1370.47742.4487-1.9256-0.605-0.61231.46930.10440.4720.53850.1731.9625100.080997.200233.0928
243.58071.0388-3.91561.3639-0.16075.18110.3-2.4587-0.8357-0.0886-0.9915-1.5637-0.15781.52090.67141.08880.2970.29051.10740.19671.9906106.637487.435944.2648
259.19767.1087-5.8318.1151-5.80588.7605-0.3169-0.6966-0.7097-1.3748-0.6717-0.6151-0.50130.07180.89671.39260.57180.3460.93150.40221.5694111.6992.372932.055
267.61890.9833.1998.2145-4.92714.897-0.2890.3873-0.76610.08050.63430.29320.1472-1.0786-0.3210.9745-0.01510.27251.05380.06960.8773105.184686.63434.0544
278.4899-2.55040.40773.30293.7415.9101-0.20620.47861.0855-0.5362-0.83992.5961-1.2678-1.38521.03851.52390.76460.07551.30330.24452.039999.5424107.617142.1036
282.99272.9076-2.1525.91190.03124.52330.0275-1.68370.85410.87460.3034-0.2057-0.65980.3613-0.31492.05350.6461-0.10381.5696-0.20460.9426109.503769.5822128.0919
293.57624.94991.08556.90811.27333.5530.1469-0.26031.19411.18390.18630.44990.18560.1376-0.34721.81380.50770.4931.1804-0.05981.7836107.885468.9035121.9385
309.0913-2.49414.08214.2135-2.19422.15742.09872.13031.3987-2.1058-2.06911.2387-0.8032-0.073-0.05242.56631.03370.61421.9245-0.34611.673995.736582.2958107.9733
314.89564.0489-5.75613.3561-4.75996.7701-0.04550.56975.8460.92881.51494.9005-0.945-1.6867-1.45091.40260.18260.16992.16350.18522.422462.473636.767162.1775
326.13065.7415-2.79875.4406-2.36782.25920.1199-0.746-0.4006-0.1222-0.31583.7909-0.1873-0.28020.22061.23780.33890.23161.57070.43642.378145.539220.108165.7279
337.5935-4.2397-2.30967.27775.98465.21470.0766-0.0259-1.2154-0.8045-0.72330.8049-1.7736-0.12240.48991.5681-0.0062-0.30181.61670.92771.973751.76311.303663.7465
342.06411.10640.49295.8784-6.92829.90430.14670.4943-0.7212.2408-0.0693.7344-0.5511-2.8451-0.05021.17160.00710.60082.37890.47162.064646.0245.65278.7459
358.34195.08222.79945.26972.67277.0234-0.738-1.0061-0.98790.0691-0.1243-0.88381.2231-0.28740.88921.38190.3640.43821.43440.26331.049963.16620.449977.118
367.72325.18755.03618.70790.38465.63460.4810.32071.0918-0.57430.7871-1.31230.06971.115-1.0011.23990.27490.61411.94230.07591.059779.424128.909477.2022
376.79914.0582.63593.83020.96983.5387-0.05861.98270.7478-0.0290.0309-0.1347-0.5733-0.24260.15840.7649-0.098-0.22682.00790.86482.552763.00418.181370.5469
383.9214-3.4415-2.43537.97887.20236.6892-0.5487-0.676-0.70910.8947-0.13350.08442.79890.29290.78871.4715-0.17950.21351.45231.1142.212158.36053.230371.2773
393.76662.1058-2.30961.7869-0.85611.7242-0.0397-1.3624-0.15661.1840.54390.22361.02360.8289-0.54441.87061.13220.24251.77350.29311.681269.156413.5779.905
405.4186.11690.13256.952-0.00028.649-0.2949-1.1330.0075-0.12780.39882.7349-1.5472-0.5179-0.14361.59870.89550.23931.7451-0.03112.268679.107229.886482.969
415.27060.68440.3046.0544-2.99023.9846-0.2149-0.3413-0.16940.34070.018-0.19540.40410.11640.31281.98910.64490.77591.31130.78411.4087109.8337100.93163.6956
427.46446.7987.80016.18557.09898.1458-1.1334-2.29331.90860.82390.25991.4855-0.9422-1.39660.90671.86010.70410.36881.43370.00071.4451101.1298105.45464.9262
436.39623.90114.80397.00092.4195.7146-1.3360.00792.19260.0116-0.0679-0.9492-2.044-0.11371.482.1860.26120.47540.55690.02832.1153111.9502114.241559.8196
449.5455-2.62444.30294.1574-4.51575.17521.51330.21742.3057-0.4843-0.3208-0.3906-2.6459-1.4895-1.17391.51190.59010.35521.4053-0.2531.9271103.7227113.600562.8377
458.2117-5.0223-1.01958.58834.77084.4617-1.0559-1.0825-0.62281.68820.4460.29560.7753-0.59870.64481.55650.76350.651.3534-0.17231.6641104.2137110.702471.6539
467.75395.1951-0.83865.40222.61146.39960.59750.66860.5618-1.5512-0.67020.808-1.2185-0.007-0.01741.45610.58660.25011.48380.43661.249190.816101.743350.599
477.71877.59847.87868.07727.07548.80510.22572.3177-1.7766-0.33070.57180.4446-1.0675-0.0762-0.73921.22430.49780.14671.4674-0.02840.9964101.675599.955152.0724
485.7041-3.31120.50132.15361.02698.3081-0.5495-1.45370.72790.99940.8919-0.1660.54630.5042-0.41551.35770.20950.55621.0087-0.14321.2295124.7184101.281956.7418
492.02521.42532.96331.00312.08574.336-0.61060.9046-1.1819-2.6124-1.2958-3.92412.94862.76371.90962.16760.45841.28871.18420.45382.1389126.6131109.09444.1924
506.1117-4.61660.25313.6204-0.71652.0883-1.70654.0410.2561-3.60940.5735-1.2223-0.09441.23791.15431.9749-0.00710.41221.77920.39490.8316113.674105.134641.1456
519.81076.35316.86475.98755.34995.24270.9013-0.0938-0.4164-0.1137-0.0635-0.67020.6353-0.7482-0.93371.5470.3940.1811.34440.53631.182117.9848111.870151.2487
529.50844.5135-4.1733.7614-0.40943.4291-0.52331.03021.5926-1.37150.36272.2783-2.1592-0.09940.20031.84960.19610.19811.03440.45881.3482118.3071115.755147.611
533.39881.1505-1.58724.8962-1.32434.7378-1.22051.4407-2.046-0.65831.0747-1.38020.56640.05940.02481.83120.3740.64581.5248-0.30151.2106117.5129106.729251.3822
542.7065-2.86483.05245.4981-1.32984.90520.6562-0.0711.21710.4981-0.1850.77010.5578-1.1054-0.48041.3572-0.27710.19452.28090.63162.215130.732224.408945.8585
553.8282.97193.21573.38253.18285.69120.47270.5649-3.27840.6632-0.4367-0.41550.67560.1644-0.10851.2543-0.6746-0.79692.0480.31422.828331.454712.765345.5799
566.0347-4.3091-0.89893.15120.71510.201-0.6636-0.4327-0.2089-0.19380.35091.41930.2920.1850.16581.4696-0.4067-0.53341.38630.94142.072236.790216.780254.6343
575.4165-1.25391.62785.28841.68482.90171.18411.0860.41781.0893-0.52831.47440.2066-1.2521-0.48711.0926-0.41090.1962.04430.8411.697332.663223.79349.7206
584.6394-2.62525.40273.8824-1.56857.21490.0978-2.46631.30780.91620.36452.8838-1.0174-2.7377-0.43071.82390.90760.88632.81380.78042.608130.168536.126857.8753
594.8248-5.18633.21549.0198-1.14693.69-0.298-0.50740.2087-0.43360.14620.47940.5414-0.5590.17021.0850.1261-0.15031.49520.31321.226553.749229.780545.8475
604.1547-5.5651-0.62167.63641.55462.9471-0.46423.83144.22991.6241-0.9457-2.19850.13111.23691.34491.8098-0.1286-0.4172.05530.87672.030975.651124.163145.032
612.02331.46971.89281.75173.17356.49121.2578-0.46820.0592-1.4342-0.3381-0.2802-0.363-0.91-0.8921.6408-0.0394-0.27421.35750.87782.312538.605537.119812.6572
620.9125-0.9022.30791.2414-2.6876.30270.5979-0.5002-0.8511-0.6847-0.29531.5238-0.0707-0.8748-0.10291.15060.2895-0.25532.98791.14192.783833.762233.025817.2612
635.63234.65330.37315.3389-2.92057.376-1.73043.38421.4563-0.18120.8937-1.0723-1.39861.730.77781.5596-0.5030.32371.78320.65843.164457.07226.979121.8504
649.06163.07954.72271.80472.18372.92420.0064-0.05730.98530.27890.35611.0168-0.6239-1.408-0.2050.97740.14830.15352.06461.02261.708766.179631.119125.1159
652.01721.3661-1.49161.3032-0.15863.0215-0.0534-0.6071-0.8208-0.0308-0.2872-0.68730.7359-0.26820.21491.2017-0.2230.19232.85811.35281.872928.911331.50829.8273
661.3393-0.3351-1.45884.9776-0.14451.6429-0.16680.02210.3082-0.05450.07560.0428-0.0818-0.04980.06242.0730.5709-0.49711.56130.82221.581628.494738.33910.7129
67-0.00080.00090.0006-0.0015-0.0005-0.0003-0.00930.64290.8601-0.33420.079-0.0657-0.7368-0.16170.06542.3458-0.149-0.23641.16860.92171.785442.313741.45524.0083
681.45772.2518-0.36674.6712-0.78259.5506-1.04294.55760.5829-1.32351.05281.0783-0.20840.4086-0.1031.1810.6872-0.47083.29690.24822.266641.786929.01587.4593
699.1983-2.09281.59942.1527-1.97651.82710.48570.12411.26660.52041.2613-0.154-2.1875-3.4063-1.80181.65630.34870.50491.3510.29781.31188.701434.0315106.8658
707.7013-1.30450.01877.26652.86237.17410.2095-0.7427-0.13160.60110.82050.54710.22480.7273-0.94581.59270.37890.66041.58430.25981.440390.23328.5852100.3814
715.97043.07021.9816.8443-2.58933.18610.5414-0.8446-1.22670.40140.35790.0647-1.6022-0.9078-0.91381.3855-0.15820.73751.34020.21951.80882.068627.7105102.8776
724.59484.89161.22335.49182.05542.3059-0.26010.04391.5293-1.0953-0.26571.9351-0.77710.530.62821.49330.37490.39351.36680.4741.470982.390538.2411102.5479
733.03191.43360.84972.7724-0.45920.590.0227-0.4920.21060.5992-0.34980.82360.2685-1.19710.03330.94360.15430.77441.8339-0.00321.152379.457940.3994107.871
745.1035-5.3091-5.80285.52686.04286.59990.64771.56151.38120.17530.2518-1.33790.0727-0.7319-0.94021.23340.21080.56251.83720.22631.7946103.058248.26993.616
751.7363-1.9658-1.99082.28942.26162.2997-0.0936-0.6080.09481.12221.5285-0.8770.64431.3081-1.43931.4360.12760.08151.2928-0.321.0447135.39575.671246.0513
763.24090.58221.19873.3005-1.77711.68470.26970.0005-0.21-0.0447-0.0076-0.2390.58280.1069-0.2181.10040.18290.17731.0233-0.24531.1354135.39452.252922.1528
774.3412-4.32234.15794.5745-4.47034.3868-0.2824-2.1610.05920.2762-0.7606-1.82140.20090.76870.88521.31930.1431-0.691.9671-0.11282.833165.7776-26.779149.7554
785.4137-4.6428-1.40166.70681.24072.43230.19910.138-1.5518-0.9181-0.24161.05380.93070.12740.062.38280.6336-0.81751.16150.15342.974463.5054-20.531746.9704
797.9725-1.2146-2.24250.2888-0.30094.5002-0.61260.5592-0.4987-0.2494-0.37490.4965-0.511-0.25041.08381.4328-0.2086-0.43760.97980.07892.429158.7578-26.372243.4582
805.52286.3271-7.0287.4526-7.80739.20730.12180.4106-2.573-1.181-0.7028-0.57510.5556-0.58350.54661.77750.1652-0.24541.2604-0.13322.069177.9976-23.596531.4621
813.63443.02642.51072.62142.44732.98810.5613-0.0385-1.880.42080.48880.83444.4787-0.3016-1.05252.0755-0.2357-0.26770.94770.20812.294688.4238-11.197525.0865
825.27223.83860.67443.0219-0.7016.23981.38850.7012-0.0973-0.2729-0.94580.64620.95840.4269-0.53661.83080.2835-0.06891.17270.19872.018888.4785-0.634635.9824
834.3257-4.82154.49345.8803-5.29534.82950.14351.4233-1.1379-1.7386-1.4607-0.9349-0.5919-0.27021.32812.22240.5919-0.18391.1859-0.03361.366780.909421.76993.8336
843.7064-0.7222-5.99410.15261.11119.9586-0.2351-0.73582.40360.57770.9641-1.525-2.28330.5353-0.75422.4794-0.5720.172.5443-0.52372.098174.28610.91310.8667
856.62135.53584.62224.80534.85658.7420.49470.1148-0.0016-0.26651.0038-0.08710.8741-1.2984-1.44971.4097-0.1567-0.03082.08540.08841.957574.300615.79357.98
864.1607-1.33644.80382.5985-1.18025.6061-0.79470.6547-0.0691.3011.52480.4251.29490.3216-0.68981.2765-0.077-0.04571.3287-0.39641.933275.754229.254211.1391
874.50145.9624-2.98378.3579-2.09379.3283-0.9106-0.01740.5772-0.53840.79341.68730.15240.09140.07810.97420.03830.06681.11220.23892.154767.129432.017718.1948
885.59235.7521-4.08297.5873-4.04912.99610.175-1.67410.56911.2873-0.51880.56060.15010.24990.30022.17980.76740.12511.8798-0.48841.2293123.378897.0246106.5297
894.9428-3.426-0.01592.66530.16370.07590.0599-0.3211-0.03820.31980.99620.055-1.15860.1097-0.92591.79520.28950.37271.4298-0.34460.7843127.319191.136599.0328
904.73275.4615-4.02066.4198-4.19564.6072-0.71940.2699-0.20420.24560.8525-1.82790.021-0.33590.02521.32170.49420.04021.2584-0.4171.9883129.448291.044788.7743
917.8644.1261-2.53843.1531-2.77362.9204-0.52410.2811-1.6783-1.828-0.5408-0.07440.60481.70271.0691.410.455-0.09741.9618-0.86451.9423138.1964101.503895.1789
927.05685.30350.56646.27240.47480.04140.19780.50690.22570.06850.19250.0727-0.2799-0.2225-0.2871.477-0.1290.41291.33160.20581.4105158.0948103.68915.2557
937.8336-1.38984.7472.7592-2.39133.8390.5478-0.29631.48460.09750.04761.0031-0.1603-0.1212-0.55831.41750.11970.19221.141-0.06771.5182158.9976106.178919.6472
946.99246.48416.70946.01696.17167.0662-0.5066-0.82912.8949-1.7567-0.39151.8614-4.2112-3.57510.9651.550.61440.30781.46530.3662.5462151.8864114.667710.0875
958.5986.9998-3.14778.2376-4.81793.1579-1.0564-0.6182-0.214-0.6776-0.2670.98251.0743-0.04071.29642.37780.08790.71991.003-0.24521.5762162.6706120.10624.4857
966.74663.15653.82949.78981.42722.2185-0.68921.97410.7005-1.91310.616-2.020.33321.94530.02371.3385-0.13910.54831.4271-0.1221.5219165.9308118.339113.633
977.3966-3.3941-0.4755.63170.73970.1067-0.1697-1.18760.09791.53180.3131.1087-0.3280.9485-0.2251.9138-0.18770.65821.3056-0.24041.2932156.6862103.598569.0181
983.58062.10523.75023.40653.04025.0133-0.37990.14-0.058-0.122-0.2651-0.1190.4786-0.3670.6391.5383-0.02550.35711.0238-0.08580.9583152.1806103.159966.3688
993.30133.73272.4285.07664.72966.37730.82330.29120.122.5408-0.08360.56530.41710.3468-0.62861.1187-0.2260.13071.69150.18210.7089145.701288.917875.9308
1005.1199-2.7004-4.76454.37844.75766.1387-1.3002-2.16552.37280.1368-0.9534.8716-0.8002-3.94282.3541.28710.41140.53412.08040.30863.136880.845671.296299.8141
1015.87217.08636.67521.99989.30828.422-0.65647.40143.8765-5.9867-0.22174.8645-2.97891.5750.9072.27821.0787-0.04083.0550.72822.023382.313777.9355106.7175
1022.69082.58770.47663.0313-0.472.0006-0.32380.12741.7061-0.57670.76270.6627-2.1728-1.2021-0.41082.85020.81540.58531.46370.36821.898995.595475.5864112.2385
1037.33597.06784.79398.57573.29984.1180.1803-1.28670.47810.98330.10561.0949-1.006-2.059-0.32442.55421.35930.84782.42030.70681.571488.350668.9428110.939
1044.3597-0.20260.3327.46155.89524.71340.98862.3665-1.5726-1.7010.11331.10891.3457-2.0928-1.14051.8276-0.1248-0.37161.6146-0.11780.88689.549361.9934102.4022
1053.0614-1.3652.93186.353-3.79558.03690.46590.24180.29110.76190.57740.6119-0.4071-0.1163-0.9812.3160.75780.59791.85650.34391.0295.153371.1592102.6465
1060.94990.0065-0.83191.35750.78711.19470.80220.993-0.52110.67120.0607-0.1146-0.2533-0.5893-0.87771.84990.7867-0.0441.3524-0.27351.246189.811655.1229107.492
1074.5024-1.9366-1.6210.8290.69580.59190.2243-0.40641.61210.4538-0.5276-1.5768-1.11860.27350.26561.68720.3847-0.74511.2361-0.32091.981772.8155-8.874612.2466
1087.3371-0.7735-3.52439.16915.54994.6426-0.30690.1951.5557-0.4918-0.1228-0.25421.35591.21310.37782.082-0.0394-0.53672.76130.00451.775484.48-14.3238-3.0454
1094.30925.667-2.25567.4685-3.23375.1116-0.5366-1.99030.8018-0.2981-1.3625-1.0761-0.83430.99831.95571.9439-0.5823-0.44281.9285-0.08011.951592.1729-11.56841.3728
1105.72217.03236.00921.99994.53618.8056-0.0426-0.97971.521-2.3888-2.97264.8095-1.608-4.0963.05911.73390.2505-0.05563.2391-1.72092.472682.6432-8.11110.043
1114.01592.79382.40842.10352.15272.85690.0743-0.0592-1.35440.92530.666-0.5170.86370.5609-0.70721.71950.406-0.02541.1974-0.08351.91189.1522-13.5829.8997
1128.1804-0.38294.07561.75320.56796.0006-0.5922-0.7029-2.18062.1438-0.0650.65541.53640.3470.56961.49680.25650.14071.13280.3661.900992.6458-5.326520.2349
1134.27992.44713.6375.59495.43637.59830.10.1190.101-0.22540.8402-0.9256-0.44430.741-0.96210.83480.00380.3941.4358-0.23151.2263196.251999.919448.2617
1141.99361.11020.51440.7310.26880.13550.66620.28571.5974-0.03850.7220.14650.01561.6413-1.360.9931-0.12710.24251.5979-0.22881.3138187.9957105.779443.6983
1158.11151.31635.9163.1352-2.41948.22110.7184-1.03940.85451.812-0.84231.65351.127-3.35820.04441.6288-0.64620.94991.503-0.64292.166189.1317108.151360.3476
1166.1369-4.47596.27883.5193-4.37719.0051-2.01090.09060.6908-0.46580.8452-0.4132-2.21411.37591.05111.4547-0.49910.09251.7299-0.81641.9024197.5348116.216367.4007
1178.42444.48281.9777.2433-1.40422.83710.2290.05231.5710.6764-0.0354-2.8911.49772.1629-0.22251.91370.2305-1.03912.39530.89873.473464.7621-2.96738.1591
1185.1127-6.59880.09398.94271.17033.8978-1.298-1.17550.46570.15290.48431.247-0.38380.00190.76731.39210.5404-0.60992.29230.64123.165661.28151.785436.102
1194.24295.0992-1.04366.2093-0.87531.9994-0.74250.18140.99820.2976-0.346-2.2079-0.77460.07481.21531.9002-0.0614-0.38281.71610.79471.708555.4796-2.568530.5212
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 1401:1532)A0
4X-RAY DIFFRACTION4chain 'A' and (resseq 1533:1541)A0
5X-RAY DIFFRACTION5chain 'B' and (resseq 7:25)B7 - 25
6X-RAY DIFFRACTION6chain 'B' and (resseq 26:64)B26 - 64
7X-RAY DIFFRACTION7chain 'B' and (resseq 65:86)B65 - 86
8X-RAY DIFFRACTION8chain 'B' and (resseq 87:122)B87 - 122
9X-RAY DIFFRACTION9chain 'B' and (resseq 123:148)B123 - 148
10X-RAY DIFFRACTION10chain 'B' and (resseq 149:226)B149 - 226
11X-RAY DIFFRACTION11chain 'B' and (resseq 227:240)B227 - 240
12X-RAY DIFFRACTION12chain 'C' and (resseq 2:112)C2 - 112
13X-RAY DIFFRACTION13chain 'C' and (resseq 113:207)C113 - 207
14X-RAY DIFFRACTION14chain 'D' and (resseq 2:34)D2 - 34
15X-RAY DIFFRACTION15chain 'D' and (resseq 35:67)D35 - 67
16X-RAY DIFFRACTION16chain 'D' and (resseq 68:148)D68 - 148
17X-RAY DIFFRACTION17chain 'D' and (resseq 149:181)D149 - 181
18X-RAY DIFFRACTION18chain 'D' and (resseq 182:209)D182 - 209
19X-RAY DIFFRACTION19chain 'E' and (resseq 5:14)E5 - 14
20X-RAY DIFFRACTION20chain 'E' and (resseq 15:27)E15 - 27
21X-RAY DIFFRACTION21chain 'E' and (resseq 28:50)E28 - 50
22X-RAY DIFFRACTION22chain 'E' and (resseq 51:63)E51 - 63
23X-RAY DIFFRACTION23chain 'E' and (resseq 64:79)E64 - 79
24X-RAY DIFFRACTION24chain 'E' and (resseq 80:86)E80 - 86
25X-RAY DIFFRACTION25chain 'E' and (resseq 87:103)E87 - 103
26X-RAY DIFFRACTION26chain 'E' and (resseq 104:140)E104 - 140
27X-RAY DIFFRACTION27chain 'E' and (resseq 141:154)E141 - 154
28X-RAY DIFFRACTION28chain 'F' and (resseq 1:32)F1 - 32
29X-RAY DIFFRACTION29chain 'F' and (resseq 33:92)F33 - 92
30X-RAY DIFFRACTION30chain 'F' and (resseq 93:101)F93 - 101
31X-RAY DIFFRACTION31chain 'G' and (resseq 2:11)G2 - 11
32X-RAY DIFFRACTION32chain 'G' and (resseq 12:20)G12 - 20
33X-RAY DIFFRACTION33chain 'G' and (resseq 21:52)G21 - 52
34X-RAY DIFFRACTION34chain 'G' and (resseq 53:57)G53 - 57
35X-RAY DIFFRACTION35chain 'G' and (resseq 58:79)G58 - 79
36X-RAY DIFFRACTION36chain 'G' and (resseq 80:92)G80 - 92
37X-RAY DIFFRACTION37chain 'G' and (resseq 93:109)G93 - 109
38X-RAY DIFFRACTION38chain 'G' and (resseq 110:129)G110 - 129
39X-RAY DIFFRACTION39chain 'G' and (resseq 130:144)G130 - 144
40X-RAY DIFFRACTION40chain 'G' and (resseq 145:156)G145 - 156
41X-RAY DIFFRACTION41chain 'H' and (resseq 1:18)H1 - 18
42X-RAY DIFFRACTION42chain 'H' and (resseq 19:29)H19 - 29
43X-RAY DIFFRACTION43chain 'H' and (resseq 30:41)H30 - 41
44X-RAY DIFFRACTION44chain 'H' and (resseq 42:53)H42 - 53
45X-RAY DIFFRACTION45chain 'H' and (resseq 54:62)H54 - 62
46X-RAY DIFFRACTION46chain 'H' and (resseq 63:72)H63 - 72
47X-RAY DIFFRACTION47chain 'H' and (resseq 73:85)H73 - 85
48X-RAY DIFFRACTION48chain 'H' and (resseq 86:95)H86 - 95
49X-RAY DIFFRACTION49chain 'H' and (resseq 96:100)H96 - 100
50X-RAY DIFFRACTION50chain 'H' and (resseq 101:106)H101 - 106
51X-RAY DIFFRACTION51chain 'H' and (resseq 107:116)H107 - 116
52X-RAY DIFFRACTION52chain 'H' and (resseq 117:127)H117 - 127
53X-RAY DIFFRACTION53chain 'H' and (resseq 128:138)H128 - 138
54X-RAY DIFFRACTION54chain 'I' and (resseq 2:25)I2 - 25
55X-RAY DIFFRACTION55chain 'I' and (resseq 26:32)I26 - 32
56X-RAY DIFFRACTION56chain 'I' and (resseq 33:53)I33 - 53
57X-RAY DIFFRACTION57chain 'I' and (resseq 54:88)I54 - 88
58X-RAY DIFFRACTION58chain 'I' and (resseq 89:97)I89 - 97
59X-RAY DIFFRACTION59chain 'I' and (resseq 98:117)I98 - 117
60X-RAY DIFFRACTION60chain 'I' and (resseq 118:128)I118 - 128
61X-RAY DIFFRACTION61chain 'J' and (resseq 3:29)J3 - 29
62X-RAY DIFFRACTION62chain 'J' and (resseq 30:42)J30 - 42
63X-RAY DIFFRACTION63chain 'J' and (resseq 43:47)J43 - 47
64X-RAY DIFFRACTION64chain 'J' and (resseq 48:70)J48 - 70
65X-RAY DIFFRACTION65chain 'J' and (resseq 71:78)J71 - 78
66X-RAY DIFFRACTION66chain 'J' and (resseq 79:85)J79 - 85
67X-RAY DIFFRACTION67chain 'J' and (resseq 86:93)J86 - 93
68X-RAY DIFFRACTION68chain 'J' and (resseq 94:100)J94 - 100
69X-RAY DIFFRACTION69chain 'K' and (resseq 11:34)K11 - 34
70X-RAY DIFFRACTION70chain 'K' and (resseq 35:57)K35 - 57
71X-RAY DIFFRACTION71chain 'K' and (resseq 58:75)K58 - 75
72X-RAY DIFFRACTION72chain 'K' and (resseq 76:100)K76 - 100
73X-RAY DIFFRACTION73chain 'K' and (resseq 101:110)K101 - 110
74X-RAY DIFFRACTION74chain 'K' and (resseq 111:126)K111 - 126
75X-RAY DIFFRACTION75chain 'L' and (resseq 5:32)L5 - 32
76X-RAY DIFFRACTION76chain 'L' and (resseq 33:128)L33 - 128
77X-RAY DIFFRACTION77chain 'M' and (resseq 2:14)M2 - 14
78X-RAY DIFFRACTION78chain 'M' and (resseq 15:21)M15 - 21
79X-RAY DIFFRACTION79chain 'M' and (resseq 22:61)M22 - 61
80X-RAY DIFFRACTION80chain 'M' and (resseq 62:83)M62 - 83
81X-RAY DIFFRACTION81chain 'M' and (resseq 84:93)M84 - 93
82X-RAY DIFFRACTION82chain 'M' and (resseq 94:119)M94 - 119
83X-RAY DIFFRACTION83chain 'N' and (resseq 2:11)N2 - 11
84X-RAY DIFFRACTION84chain 'N' and (resseq 12:16)N12 - 16
85X-RAY DIFFRACTION85chain 'N' and (resseq 17:24)N17 - 24
86X-RAY DIFFRACTION86chain 'N' and (resseq 25:29)N25 - 29
87X-RAY DIFFRACTION87chain 'N' and (resseq 30:61)N30 - 61
88X-RAY DIFFRACTION88chain 'O' and (resseq 2:15)O2 - 15
89X-RAY DIFFRACTION89chain 'O' and (resseq 16:49)O16 - 49
90X-RAY DIFFRACTION90chain 'O' and (resseq 50:73)O50 - 73
91X-RAY DIFFRACTION91chain 'O' and (resseq 74:88)O74 - 88
92X-RAY DIFFRACTION92chain 'P' and (resseq 1:19)P1 - 19
93X-RAY DIFFRACTION93chain 'P' and (resseq 20:43)P20 - 43
94X-RAY DIFFRACTION94chain 'P' and (resseq 44:52)P44 - 52
95X-RAY DIFFRACTION95chain 'P' and (resseq 53:62)P53 - 62
96X-RAY DIFFRACTION96chain 'P' and (resseq 63:83)P63 - 83
97X-RAY DIFFRACTION97chain 'Q' and (resseq 2:17)Q2 - 17
98X-RAY DIFFRACTION98chain 'Q' and (resseq 18:82)Q18 - 82
99X-RAY DIFFRACTION99chain 'Q' and (resseq 83:100)Q83 - 100
100X-RAY DIFFRACTION100chain 'R' and (resseq 19:23)R19 - 23
101X-RAY DIFFRACTION101chain 'R' and (resseq 24:28)R24 - 28
102X-RAY DIFFRACTION102chain 'R' and (resseq 29:36)R29 - 36
103X-RAY DIFFRACTION103chain 'R' and (resseq 37:43)R37 - 43
104X-RAY DIFFRACTION104chain 'R' and (resseq 44:52)R44 - 52
105X-RAY DIFFRACTION105chain 'R' and (resseq 53:76)R53 - 76
106X-RAY DIFFRACTION106chain 'R' and (resseq 77:88)R77 - 88
107X-RAY DIFFRACTION107chain 'S' and (resseq 2:12)S2 - 12
108X-RAY DIFFRACTION108chain 'S' and (resseq 13:25)S13 - 25
109X-RAY DIFFRACTION109chain 'S' and (resseq 26:35)S26 - 35
110X-RAY DIFFRACTION110chain 'S' and (resseq 36:40)S36 - 40
111X-RAY DIFFRACTION111chain 'S' and (resseq 41:70)S41 - 70
112X-RAY DIFFRACTION112chain 'S' and (resseq 71:81)S71 - 81
113X-RAY DIFFRACTION113chain 'T' and (resseq 8:66)T8 - 66
114X-RAY DIFFRACTION114chain 'T' and (resseq 67:75)T67 - 75
115X-RAY DIFFRACTION115chain 'T' and (resseq 76:91)T76 - 91
116X-RAY DIFFRACTION116chain 'T' and (resseq 92:106)T92 - 106
117X-RAY DIFFRACTION117chain 'U' and (resseq 2:8)U2 - 8
118X-RAY DIFFRACTION118chain 'U' and (resseq 9:15)U9 - 15
119X-RAY DIFFRACTION119chain '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