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- PDB-4lf4: 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: 4lf4
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 / 30S ribosomal subunit / Kasugamycin / KsgA / RNA structure / Thermus thermophilus / Antibiotic resistance / Decoding
機能・相同性
機能・相同性情報


ribosomal small subunit biogenesis / ribosomal small subunit assembly / small ribosomal subunit / small ribosomal subunit rRNA binding / cytosolic small ribosomal subunit / tRNA binding / rRNA binding / structural constituent of ribosome / ribosome / translation ...ribosomal small subunit biogenesis / ribosomal small subunit assembly / small ribosomal subunit / small ribosomal subunit rRNA binding / cytosolic small ribosomal subunit / tRNA binding / rRNA binding / structural constituent of ribosome / ribosome / translation / ribonucleoprotein complex / mRNA binding / zinc ion binding / metal ion binding / cytoplasm / cytosol
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 S14/S29 / Ribosomal protein S3, bacterial-type / Ribosomal protein S19, bacterial-type / Ribosomal protein S13, bacterial-type / Ribosomal protein S6, conserved site / Ribosomal protein S6 signature. / Ribosomal protein S7, bacterial/organellar-type / 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 S6, plastid/chloroplast / Ribosomal protein S2, bacteria/mitochondria/plastid / Ribosomal protein S9, bacterial/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 / Few Secondary Structures / Irregular / K Homology domain / K homology RNA-binding domain / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / 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. / Nucleotidyltransferase; domain 5 / 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 S5, N-terminal, conserved site / Ribosomal protein S5 signature. / Ribosomal protein S19/S15 / Ribosomal protein S19/S15, superfamily
類似検索 - ドメイン・相同性
: / Chem-LLL / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 ...: / Chem-LLL / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS12 / 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 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: 3.3421 Å
データ登録者Demirci, H. / Belardinelli, R. / Carr, J. / Murphy IV, F. / Jogl, G. / Dahlberg, A.E. / Gregory, S.T.
引用ジャーナル: To be Published / 年: 2013
タイトル: Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
著者: Demirci, H. / Belardinelli, R. / Carr, J. / Murphy IV, F. / Jogl, G. / Dahlberg, A.E. / Gregory, S.T.
履歴
登録2013年6月26日登録サイト: RCSB / 処理サイト: RCSB
改定 1.02014年7月2日Provider: repository / タイプ: Initial release
改定 1.12025年3月26日Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary
カテゴリ: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / entity / pdbx_entity_nonpoly / pdbx_entry_details / pdbx_modification_feature / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site
Item: _chem_comp.name / _database_2.pdbx_DOI ..._chem_comp.name / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _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)788,570187
ポリマ－783,88021
非ポリマー4,690166
水1086
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)400.609, 400.609, 175.951
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number92
Space group name H-MP41212
詳細biological unit is a monomer

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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: 494114.656 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: A0A0M9AFS9*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: 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
#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: A0A0N0BLP2*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: A0A0N0BLS5*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 , 5種, 172分子

#22: 化合物...
ChemComp-MG / MAGNESIUM ION


分子量: 24.305 Da / 分子数: 153 / 由来タイプ: 合成 / 式: Mg
#23: 化合物
ChemComp-K / POTASSIUM ION


分子量: 39.098 Da / 分子数: 10 / 由来タイプ: 合成 / 式: K
#24: 化合物 ChemComp-LLL / (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL / GENTAMICIN C1A


分子量: 449.542 Da / 分子数: 1 / 由来タイプ: 合成 / 式: C19H39N5O7
#25: 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
#26: 水 ChemComp-HOH / water


分子量: 18.015 Da / 分子数: 6 / 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: 4.5 Å3/Da / 溶媒含有率: 72.68 %
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: 2010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: 3.2 % / Av σ(I) over netI: 11.52 / 数: 648486 / Rmerge(I) obs: 0.096 / Χ2: 1.3 / D res high: 3.35 Å / D res low: 35 Å / Num. obs: 202709 / % possible obs: 99.1
Diffraction reflection shell
最高解像度 (Å)最低解像度 (Å)% possible obs (%)IDRmerge(I) obsChi squaredRedundancy
7.23594.610.0381.0983.1
5.727.298.510.0691.393.2
55.7299.310.0781.3523.2
4.54599.610.0911.4713.2
4.224.5499.810.1241.4793.2
3.974.2299.910.181.393.2
3.773.9799.910.2541.2783.2
3.613.7799.710.3811.2063.2
3.473.6199.910.571.1653.2
3.353.4799.910.8021.1423.2
反射解像度: 3.342→35 Å / Num. all: 202709 / Num. obs: 202709 / % possible obs: 99.1 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / 冗長度: 3.2 % / Rmerge(I) obs: 0.096 / Χ2: 1.298 / Net I/σ(I): 12.3
反射 シェル
解像度 (Å)冗長度 (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
3.342-3.473.20.802201931.142199.9
3.47-3.613.20.57202371.165199.9
3.61-3.773.20.381202131.206199.7
3.77-3.973.20.254202941.278199.9
3.97-4.223.20.18203061.39199.9
4.22-4.543.20.124203271.479199.8
4.54-53.20.091203531.471199.6
5-5.723.20.078203541.352199.3
5.72-7.23.20.069203361.39198.5
7.2-353.10.038200961.098194.6

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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_1119精密化
PDB_EXTRACT3.11データ抽出
HKL-2000データ収集
PHENIX位相決定
精密化構造決定の手法: フーリエ合成 / 解像度: 3.3421→34.352 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.8763 / SU ML: 0.35 / σ(F): 1.33 / 位相誤差: 19.47 / 立体化学のターゲット値: ML
Rfactor反射数%反射Selection details
Rfree0.2077 10183 5.03 %FROM PDB ENTRY 2VQE
Rwork0.1719 ---
all0.1737 202592 --
obs0.1737 202592 98.92 %-
溶媒の処理減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL
原子変位パラメータBiso max: 314.35 Å2 / Biso mean: 114.001 Å2 / Biso min: 43.37 Å2
精密化ステップサイクル: LAST / 解像度: 3.3421→34.352 Å
タンパク質核酸リガンド溶媒全体
原子数19153 32522 196 6 51877
拘束条件
Refine-IDタイプDev ideal数
X-RAY DIFFRACTIONf_bond_d0.00455906
X-RAY DIFFRACTIONf_angle_d0.81682996
X-RAY DIFFRACTIONf_chiral_restr0.04910410
X-RAY DIFFRACTIONf_plane_restr0.0044901
X-RAY DIFFRACTIONf_dihedral_angle_d16.13726062
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 (%)
3.3421-3.38010.34063120.29116094640695
3.3801-3.41980.30823490.277864266775100
3.4198-3.46150.29893590.277263616720100
3.4615-3.50520.2913510.259964036754100
3.5052-3.55130.28773930.249263716764100
3.5513-3.59990.25723270.236664246751100
3.5999-3.65130.26683280.22264236751100
3.6513-3.70570.22583690.211563826751100
3.7057-3.76360.22233500.196363726722100
3.7636-3.82520.22193040.187164966800100
3.8252-3.89110.22993410.179364136754100
3.8911-3.96170.19283220.176764346756100
3.9617-4.03780.22113650.173164386803100
4.0378-4.12010.20553630.163763946757100
4.1201-4.20950.19223220.155464736795100
4.2095-4.30730.20113370.151164536790100
4.3073-4.41480.17753670.145864096776100
4.4148-4.53390.17753530.146364276780100
4.5339-4.6670.19493130.144164786791100
4.667-4.81720.1963090.144164656774100
4.8172-4.98890.18223540.13436430678499
4.9889-5.1880.15643260.13156482680899
5.188-5.42320.18273210.13256462678399
5.4232-5.70790.16443510.13356457680899
5.7079-6.06370.18313250.13936482680799
6.0637-6.5290.19573290.14776459678899
6.529-7.18060.18473370.14586421675898
7.1806-8.20730.19073230.15136401672497
8.2073-10.29390.2043520.18066412676496
10.2939-34.35370.2343310.2176267659891
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)
10.39510.1092-0.13840.4608-0.07410.4440.0147-0.0063-0.03390.14430.09950.1320.13780.0383-0.11390.62340.16340.11860.5826-0.01450.8883144.099683.9356-11.916
21.6683-0.4392-0.02220.6232-0.01640.4603-0.0382-0.90970.42750.37980.1333-0.1251-0.23680.2262-0.08150.9181-0.15780.1431.5644-0.55131.052223.333129.32939.7077
32.35491.405-0.6451.1-0.3430.1048-0.0504-0.2764-0.59770.04550.0681-0.4510.20390.1107-0.01860.90380.09960.03930.92440.02210.9925163.768169.1834-24.9438
44.29071.1055-4.73081.3411-0.12548.66020.63560.14850.0623-0.9668-0.465-0.953-0.27311.0854-0.13852.58070.34930.32854.13270.56622.6152202.5066114.7479-34.0961
57.54042.64385.75877.8454-2.91127.9128-0.41750.3578-0.3588-0.945-0.3059-0.684-0.12451.16640.54791.2310.05530.58360.57130.04871.0073157.67155.8743-35.3732
62.78570.87883.46754.09971.54696.5035-0.0627-0.25160.0981-0.2782-0.11560.68090.0236-0.94520.15351.0417-0.0130.45380.6470.07511.4836150.9462156.205-26.9474
76.659-1.0944-1.14154.24342.02785.7306-0.41420.03340.2323-0.635-0.0144-1.0762-0.45971.90490.33990.8471-0.05580.41140.9698-0.07861.4492167.8585162.6179-18.7079
83.9864-0.41910.58475.73840.07486.68630.0231-0.60060.77610.04480.1861-0.3012-0.26880.8941-0.18730.7931-0.10320.46420.9131-0.41381.4117175.0463157.5038-6.6036
99.2105-0.68093.35214.3103-0.52484.25060.0046-0.51460.73631.37781.5817-1.7787-0.88792.0003-1.5131.5311-0.1070.42811.3165-0.71951.7707191.5074161.9537-4.5508
102.254-1.21961.83754.2644-1.18862.60110.0745-0.07210.4246-0.6010.2348-0.331-0.74520.1933-0.28771.07840.03850.47820.5152-0.10811.4649161.0713156.5144-18.1178
114.98694.6057-3.93666.5122-7.23628.8372.72680.0983.1564-1.73660.0793-1.3028-3.8812-0.2273-2.82832.3298-0.04450.4641.03760.0693.0591164.0405174.7362-22.6428
120.8899-0.493-0.61820.87270.18740.4585-0.2653-0.28580.310.3821-0.059-0.1622-0.473-0.3478-0.03131.30940.09810.25762.0221-0.80681.0863206.26142.086433.7628
132.2416-1.5234-0.78913.452-0.44391.5745-0.0939-0.6043-0.04370.32410.42110.4643-0.1363-0.6505-0.0850.74380.02490.31062.0934-0.78691.2051190.9296133.460818.1815
149.7558-6.4345-4.28327.0283-0.60926.20170.3774-1.04830.65230.59670.92470.0605-0.88830.3549-1.23881.118-0.06630.05511.0447-0.14251.0559154.4044111.988638.086
155.03720.85212.19752.48070.93895.30670.3019-0.9210.20710.8618-0.1777-0.1069-0.50450.7105-0.05631.28570.01380.08870.9431-0.16650.6683160.7603113.466725.9441
161.49871.11910.86323.1412-1.88247.97740.15470.0409-0.11450.5326-0.09370.07610.404-0.0662-0.07751.00360.23980.3690.5921-0.06690.9365136.4124104.737431.2823
171.4776-0.64230.59561.5943-0.80072.6384-0.338-1.24880.23351.04140.10310.7092-0.3045-0.15250.18751.42690.05820.49681.2399-0.22240.9545132.5088111.253547.5639
189.18961.9664-7.12153.055-2.42327.80990.74050.42011.31320.40850.04040.5176-0.9784-0.3544-0.75940.94620.1780.20310.6328-0.11460.9672140.1018114.737523.5296
199.1145-7.191-8.01965.74156.05617.8956-0.6691-2.17251.45271.32010.37930.5161-0.3323-0.1180.26330.72690.20680.00451.5597-0.47061.0726162.7413127.12768.5744
204.94583.2289-6.58132.2229-4.23238.7956-0.2651-0.1406-0.16380.7175-0.04420.3835-0.24480.2360.2980.8348-0.06810.18011.2726-0.55611.0616184.7512122.2997-2.0117
214.3236-4.3121-4.95226.13023.14438.0436-0.0579-0.71660.84250.01020.023-0.0736-0.54990.04490.02890.8162-0.16830.29350.7072-0.38661.0029162.7231129.70385.0309
225.569-5.87655.31796.6915-5.0277.5341-0.4686-0.85721.71290.76960.4988-0.4184-1.28690.2954-0.01460.9902-0.25990.48210.7385-0.37261.1577168.5859133.66235.8501
233.41294.2096-2.7335.2072-3.3762.18721.0073-1.42952.06860.9716-0.50921.5012-0.689-0.036-0.5350.80630.10110.41980.8529-0.16831.2357146.0561129.54521.1996
245.7146-6.13690.45322.00172.59412.5682-0.69072.1165-2.0599-0.8193-0.62070.70921.199-0.80671.21750.8299-0.00860.22220.8479-0.17021.0349153.2974120.251-10.1673
257.0637-1.1551-4.60490.61590.52736.1371-0.3253-0.3182-0.23680.07120.09540.16890.276-0.49290.29070.65020.14690.12240.4386-0.15540.9406146.4082117.02771.5049
262.1097-2.03431.3299.05752.50732.8988-0.0689-0.1084-0.36190.12080.2066-0.14070.08190.2846-0.17750.59090.03660.24550.6391-0.18540.6856154.0669121.00330.1312
277.068-3.94493.98062.3978-2.26312.3177-0.2279-0.90811.250.2846-0.05831.2924-1.4493-1.58440.28181.020.35550.32391.0133-0.15741.406137.196134.0463-8.835
286.3320.5405-2.89032.90051.23555.8267-0.06771.42240.0565-0.9884-0.00580.1701-0.430.45460.06921.07810.1424-0.11331.67570.04480.5266174.5549114.7817-93.148
297.06831.22445.46225.42410.96355.84280.46431.2298-0.2747-0.8204-0.0781-0.381-0.21690.5035-0.43590.94930.18780.24691.30190.03090.6313175.4487115.6488-86.8207
304.39864.38814.97285.29615.60416.1346-1.2578-0.07922.48-2.163-0.01592.3068-1.955-1.23071.25321.32440.3504-0.02981.46120.46291.549166.3462131.6543-73.1692
312.68822.0566-0.52315.5093-0.25620.1747-0.23630.61883.7585-0.3591-0.48682.6649-0.8543-0.5840.64420.8797-0.0436-0.20691.0012-0.2181.9578218.0549142.4534-23.1681
324.74125.6825-2.32486.8227-2.74841.2485-0.39970.05450.1979-0.0621-0.2484-0.41860.042-0.1130.6351.3203-0.15210.18950.7052-0.17741.9164239.9045151.9-25.1736
333.9571-1.4264-1.20368.4379-3.11218.3297-0.6540.17570.49040.12280.4751-0.4055-0.14440.46160.21940.5491-0.18260.12030.959-0.31411.3087245.6824142.6145-23.055
345.50134.7072-2.45724.0598-2.49416.02380.29920.0461.15060.3184-0.0440.87-0.3361-0.2382-0.26281.4168-0.77570.86621.7992-0.30662.3413254.0346146.2357-37.5161
354.32954.58015.54977.62825.4447.86940.09650.60030.6252-0.1938-0.57140.1989-0.07-0.39830.49520.77590.13150.16311.14880.12410.853233.6415136.0913-37.6375
369.45351.8947-0.41821.7894-1.79862.93140.0438-0.15752.2250.09960.29213.16860.3758-0.3402-0.33930.92010.14290.09711.44660.12781.4601219.9208124.215-38.9091
374.3291-1.21221.22450.98410.36671.12390.2192-0.53860.2635-0.08430.0045-0.0644-0.2144-0.1816-0.18810.7932-0.30860.23931.0435-0.29861.4409235.5103135.151-30.8753
383.6002-4.33994.98397.1032-4.54338.13750.32421.16250.8179-0.631-0.0427-0.9033-0.29341.996-0.19930.8828-0.17860.50351.1881-0.05341.4153251.0919133.8891-30.5891
397.68631.07861.07012.6976-0.01616.0067-0.27262.6256-2.3118-1.36490.4365-1.30191.11590.7692-0.12491.16260.1450.29721.3705-0.57151.2752238.132127.8836-40.4332
406.11780.48353.32852.14733.53489.6436-0.026-1.49771.29512.02410.00861.3598-0.6023-1.21070.02331.3183-0.09220.28811.8338-0.50251.128219.8642124.7167-44.6598
419.12724.13114.19949.5612-0.023.2490.4286-0.1178-0.3904-0.19580.5568-0.23150.02790.6141-0.97010.53110.20070.20710.7296-0.03280.7304140.7412123.0401-30.1795
425.61866.3546.20217.50746.8197.13620.26040.44121.1487-0.3719-0.37710.2692-0.6388-0.07790.05240.63470.16720.48820.66380.06881.4071139.938132.6974-31.2169
431.12310.6350.32074.49485.72778.0034-0.06830.06740.0075-0.34980.1851.7258-0.4691-0.9746-0.1540.67850.16510.23240.52610.39971.0789127.3631126.1028-27.1036
443.2631-2.5189-0.34015.99113.53222.75430.19160.19870.1041-0.135-0.12451.0828-1.4483-1.1639-0.02870.9940.23260.26730.6533-0.01561.295131.3129133.4169-29.5227
455.64231.64815.44330.50341.51088.00880.00030.53480.3777-0.43620.0875-0.5753-0.62230.393-0.11920.57540.15810.07870.59120.15771.1718134.1943132.2412-38.1974
467.97763.24945.97481.55272.2534.6131-0.2364-0.67860.61890.54150.1974-0.0636-0.1187-0.2273-0.01860.78250.26080.33070.7223-0.11151.1169146.2923140.3779-16.4431
475.30946.98053.42149.29334.07444.37820.0647-0.37620.30490.5981-0.0873-0.39620.0815-0.12750.00460.94350.25980.27390.5561-0.03291.2074144.0632129.6913-18.256
485.91533.945-5.05742.6615-2.97729.2387-0.7544-0.2066-0.57590.07720.3052-0.79491.30420.71190.40780.58810.12020.11430.60080.10480.9158134.5539109.2511-23.9086
492.13121.65972.54681.45662.13743.5167-1.14970.0406-3.07410.39730.5639-1.04352.52812.30040.6120.75520.22680.32480.94570.06431.3733125.9986110.0859-11.8789
508.78672.77636.30346.66155.22376.35430.6554-1.5569-0.91281.2836-1.1059-0.30141.6014-1.75150.49090.8937-0.18120.43221.04860.01480.8928134.8166119.5892-8.42
513.53245.16015.80497.61948.44719.57930.0078-0.93370.17550.1652-0.51080.29820.1283-0.73840.45910.74050.18640.37370.63220.13660.9386126.9018119.2021-18.5692
523.47443.046-3.60783.0709-1.74229.0344-0.3458-0.91421.38760.70450.0247-0.2986-0.8918-0.5590.2830.62350.22030.19840.7916-0.09091.2467123.0879120.3005-15.193
537.73830.7998-1.9165.50111.31274.11010.5009-0.2435-0.5804-0.17880.099-0.24370.17540.2258-0.52490.59310.23540.24970.57510.30930.8211131.8228117.5369-18.5973
541.56011.52692.03676.99741.66773.41450.5916-0.60050.98770.4257-0.72340.0838-1.34770.43770.12941.2613-0.44560.46421.3631-0.75262.1053240.1177166.5559-4.931
556.87823.76797.02118.38642.29859.38920.26210.1602-0.77210.89930.0379-2.3066-0.65211.7805-0.35791.154-0.391-0.37561.2666-0.80321.9321250.7239161.6585-4.18
561.46213.4487-1.21139.7577-1.29292.5241-0.48150.01280.2209-0.751-0.3063-0.2349-0.08870.140.74941.0477-0.38690.36271.401-0.53271.4293245.5722158.391-13.6285
574.1966-1.06422.92588.6725-3.09195.6015-0.02940.49680.96170.57980.3101-0.2499-1.01661.0086-0.20321.0069-0.34990.30251.0094-0.42332.1688240.3227164.4869-8.776
589.41992.72245.55154.36495.1356.753-0.057-0.25281.28870.3157-0.15930.8724-0.6528-0.17650.20731.0435-0.17250.08891.0908-0.21442.7353230.4158172.0864-17.3022
592.9352-1.6441.28873.7273-0.09592.57010.1314-0.08181.10720.4121-0.1218-0.4508-0.18320.46490.03460.9656-0.33470.33191.5058-0.58271.4189226.6419147.3265-6.3975
607.0379-3.80220.65059.0942-6.74027.406-0.07470.5373-0.5301-1.55050.33931.13051.4488-0.8497-0.20140.8505-0.22810.12831.6156-0.73691.25222.9422124.2586-6.7111
617.12051.98942.52661.1499-0.49673.26360.6867-0.66821.07580.9221-0.1717-0.2707-1.06730.0055-0.26111.6525-0.18490.05311.9115-1.27132.4402222.7278163.038626.5645
621.3252-2.8134-0.828.73346.38868.24370.4285-0.561.17260.26480.2899-0.1853-2.02130.2472-0.55841.6901-0.1730.63031.8617-0.94121.9176228.641166.197622.5401
639.37338.089-3.02178.8951-2.87561.01170.07470.0468-0.19620.4913-0.28930.3705-0.05030.1370.15111.03910.03490.21991.6128-0.53851.2924226.2294142.374717.2429
644.93063.0101-0.34752.9549-1.56041.6739-0.4682-0.1463-0.1965-1.64070.6542-0.5843-0.66680.4867-0.10271.1484-0.1310.2671.6864-0.65131.183219.0865135.734713.3979
655.3772.61582.17018.87-6.28278.489-0.0656-1.58061.08352.2039-0.83220.395-2.4903-0.17410.91852.17-0.50820.05812.5401-1.66283.2723232.1347169.887630.1703
667.2496-4.7491-6.0633.39992.94028.7415-0.1543-0.0724-0.31490.1788-0.47271.04010.1724-0.84290.58322.40640.560.68131.9421-1.11562.1034224.6373172.416239.0231
670.0476-0.04150.04950.1039-0.00750.17660.2661-1.72441.31361.72680.6531-0.5126-0.80460.9376-0.87891.78240.65970.0183.3193-1.36842.1045216.5818160.963935.5358
686.218-6.0133-2.90827.4935-0.95099.8106-0.42650.75250.02941.35240.805-1.6466-0.97642.6933-0.42821.89990.3959-0.63272.9803-1.08671.537229.325157.308232.4941
697.6707-3.31386.43497.638-4.49465.8794-0.06231.0649-0.0559-0.32180.3568-0.3297-0.4981-0.4674-0.31450.5919-0.18350.28560.7906-0.2641.0832213.599118.0776-69.2288
705.3139-0.5522-0.07642.6448-0.31932.09470.1684-0.12360.0476-0.38230.0423-0.63160.05442.1932-0.17420.77390.1240.38881.0589-0.00311.1721217.6093114.1918-62.5215
719.49281.8525-6.2136.8873-2.3444.26670.30840.2319-0.0199-0.3599-0.1507-1.6141-0.00671.0087-0.13620.47540.03790.09421.0225-0.09361.0572221.6568121.2784-64.4355
729.51473.31163.75019.56810.54738.9404-0.4366-0.75830.70530.0806-0.32330.4594-0.1727-0.46530.6410.4147-0.05060.15440.9107-0.17150.801211.9926125.3032-64.7466
734.3669-3.94183.17337.23770.08494.6667-0.0156-0.03670.6608-0.2517-1.0498-1.6509-1.1051.06721.09020.7467-0.26530.24060.8380.02960.9645211.5215129.0888-69.7283
742.4972-0.02991.84236.7037-5.25745.5311-0.00160.3004-0.7191-0.23720.1299-0.2187-0.8966-0.0252-0.18510.94910.15140.17630.7637-0.27240.8554194.1143110.1712-57.431
754.2433-5.4568-0.03968.36251.03691.93830.58530.42570.0107-0.5368-0.65730.40590.80560.71590.04810.1673-0.15360.10140.52420.0150.882153.736289.2888-12.9532
764.83091.0002-3.39563.40060.97013.2267-0.0476-0.0048-0.29520.00780.0538-0.29210.53330.6357-0.02050.66160.3177-0.13090.8580.0350.8448174.194279.088211.643
772.8672-2.68144.08726.6017-4.74226.1284-0.4161-0.2827-0.5086-0.14270.31970.91271.1286-0.026-0.02281.0502-0.03650.26261.6443-0.4141.6303274.0447115.0027-8.1811
786.7205-7.95096.25359.8593-8.63269.1739-0.31890.34961.1565-0.22450.32031.5147-0.3665-0.54740.01020.57540.2439-0.18481.6468-0.11511.412269.0172119.6275-5.2133
793.56452.7505-1.24716.9598-3.10898.0725-0.30820.69130.35680.1507-0.6639-0.79620.08220.81190.96170.57630.00630.03751.9623-0.30171.4264276.1117121.3426-1.2675
803.06642.7831-4.29782.77-4.2016.420.3216-1.0791-0.820.7865-0.356-1.1078-0.39111.31050.00280.75110.1391-0.15471.5342-0.25910.8156265.452104.12049.2726
812.9205-3.75412.09028.152-2.31931.8797-0.0356-0.5689-0.10410.8485-0.0534-0.92930.05810.39340.07940.8368-0.0392-0.14252.1861-0.16211.1589249.821398.90714.3586
826.40523.12925.49064.15850.50666.5597-0.0566-0.0454-0.60090.23670.26340.39270.01380.7618-0.22370.84030.22190.14651.6352-0.04111.1656240.8601103.27532.7944
833.0633-0.79574.8866.12871.36239.1548-0.4453-0.18170.23980.3960.21230.0422-0.22280.48540.14951.20550.15350.33851.8967-0.54871.2412220.9509117.826634.4114
843.0431-0.0824-3.6144.66715.06399.6505-2.3629-4.3232.27693.48112.07080.97780.20841.36230.23171.87520.4206-0.34891.5293-0.14761.9094232.6215118.850839.9785
856.0086-0.15611.46070.01210.04490.97110.22390.57580.17750.12070.0262-0.4397-0.032-0.4344-0.27050.9939-0.21030.22871.8268-0.48991.0837228.9261121.871130.6765
861.01932.58261.90887.30865.30613.86790.03420.6241-0.2349-0.01550.3216-0.37280.9470.882-0.35790.93650.08610.03852.0897-0.49520.9229216.4459125.73526.8411
871.22380.79780.67614.0594-0.95696.2624-0.1817-1.01221.03270.1864-0.14650.08280.2664-0.00280.3270.7187-0.07770.11111.8083-0.71621.2287217.496134.984820.1212
884.21373.9472-4.38484.1984-2.78018.1982-0.44073.94660.89-2.37530.68860.2772-0.7208-0.3026-0.23011.15180.2730.03121.530.13820.769141.9946110.9217-73.6404
893.3292-5.1986-0.40348.15560.81557.70940.43310.83310.0827-0.73180.04790.0114-0.5758-0.2236-0.49260.6991-0.1048-0.08470.66290.09450.6472145.4411104.596-66.2342
902.037-3.4088-0.48095.842-0.0235.29240.2712-2.4491-0.11610.38340.36860.52440.27930.176-0.64660.71110.0636-0.03391.0205-0.04950.7035144.2443102.1875-56.029
914.31313.72320.98723.24921.26924.8695-0.1409-0.3881-1.72640.2802-0.2845-0.43052.3761-0.40260.39030.9535-0.0792-0.26610.8260.27131.2929131.616498.3063-63.5528
926.1825-0.86132.22240.51310.03563.48160.1223-0.49730.20030.57110.49610.0692-0.0670.3032-0.56860.8840.15820.46740.710.02881.1463117.71277.815.589
931.9789-0.8841-0.17642.45191.01518.3541-0.10050.04791.13660.3520.2806-0.11140.0508-0.1075-0.24160.78430.07150.23820.54460.07271.4641115.350778.223610.9956
943.30664.20714.56625.84455.91066.3193-0.8146-0.08931.2197-0.0471-0.23070.2863-1.5662-0.1151.03211.63610.15670.73590.54850.0891.9562109.946987.517420.7597
956.70580.7766-0.19330.1895-0.70244.6971-0.4731-0.07790.6991-0.07510.08630.5967-0.686-0.1730.30310.8880.2130.41050.70510.52162.0731101.371980.33355.8409
968.75754.69483.64967.25360.81935.17780.2193-1.2707-0.49160.9413-0.38581.2390.22-0.44830.06441.3108-0.09140.70090.59580.12791.4103101.437476.063916.5832
972.99791.4321.29495.9061.67231.0461-0.30450.6350.5318-0.87150.16630.2528-0.16660.03020.14370.5273-0.01540.01820.52970.27190.8025121.156481.1873-37.8655
980.78130.48161.29222.91520.48952.01670.031-0.0996-0.0909-0.38550.20560.10350.0269-0.412-0.24310.5476-0.02460.13610.79140.24031.0552123.068985.0566-35.0705
995.338-4.9985.46554.6846-5.11695.58760.30031.29940.9349-1.0419-0.2971-0.83460.40621.34010.06030.9349-0.15360.27531.1587-0.04130.9833139.152385.8832-43.7382
1004.19480.8505-5.27417.5791.84737.779-0.4759-1.75623.15010.8087-0.2504-0.7667-2.07670.35240.67132.0844-0.20830.26810.951-0.10791.882181.5057139.6762-63.732
1010.9103-0.2918-1.05410.13940.38351.883-0.3583-0.05660.598-0.42460.03590.4066-0.473-0.48540.32372.27060.05040.06431.07410.17592.0931175.7272141.0293-71.3544
1025.9554-3.9367-3.15316.8261.95191.67350.29010.58050.0991-0.5983-0.62630.7371-0.6913-1.110.30420.85070.1802-0.09521.57720.1661.2639173.3111129.0585-76.4879
1039.9709-1.01162.18957.12593.87495.34811.01131.29851.1997-1.68790.072-1.4565-1.64540.8781-1.08341.27280.33110.7240.9814-0.04511.4749182.2162132.7476-74.1007
1045.7456-6.0197-3.72266.35334.09553.2080.63921.18950.3101-1.82410.0746-3.6107-0.29653.6952-0.67670.79320.13540.24791.494-0.16571.0507187.3912128.1913-65.648
1058.9724-2.8366-6.16176.75983.40958.40380.8449-0.72270.39650.56630.0520.2002-0.716-0.0086-0.79080.91110.04010.23180.81970.19680.5848176.6392127.0479-66.7599
1064.91913.74352.58134.47632.18282.6030.07870.2647-0.18340.50290.6151-0.89980.01230.4403-0.68620.93390.2590.08851.12690.00591.1755193.7955125.6288-70.6062
1071.4813.0877-2.83427.012-6.23186.5375-0.34291.8563-0.8191-1.76990.43820.6081.6603-1.6557-0.0911.19010.4679-0.30282.2374-0.52931.0789252.547112.941327.8317
1088.3895-4.5796-1.93493.08842.84165.9804-1.4364-2.7969-0.57922.73681.36540.7985-0.8301-0.9850.04281.40560.0040.04283.0694-0.06681.2167252.2225100.566342.8627
1096.60693.761-5.05776.11180.46136.9013-0.84970.05590.36690.8565-0.4415-1.86050.5061.10161.18840.7185-0-0.06132.58660.09251.5401247.074393.734337.6854
1102.99670.84882.86773.06931.28112.8585-0.5015-1.20620.69021.1279-0.0037-0.3087-0.74420.07210.47521.4160.2353-0.22442.6352-0.24720.7217247.8071105.130429.8797
1112.86780.59773.91687.9106-0.79825.68230.0694-1.25330.10660.9166-0.1878-1.34290.26610.64970.10620.9370.0857-0.07332.2401-0.13281.0559250.648796.727829.6092
1127.99880.23557.89690.64160.65368.0852-0.64011.0214-0.291-0.20090.4195-0.2424-0.37250.65860.170.9897-0.1678-0.02571.86610.06130.7923241.88597.528918.5538
1132.2438-0.01043.08431.28650.40127.90110.2456-0.2072-0.2366-0.02930.17750.43470.8626-0.2033-0.38460.9103-0.1340.18420.41420.18081.1577108.44342.6155-19.3448
1141.83092.00850.92242.39081.03030.48230.4484-0.1271.07040.43490.15120.9004-0.5987-0.5413-0.61150.9379-0.04090.03150.94220.21651.082106.062452.3286-14.4916
1152.27333.75861.89816.31342.31577.7358-0.1530.39190.1997-0.19920.30530.0921-1.0450.5772-0.12860.6662-0.23090.00580.78980.68481.7957104.077752.8371-31.0544
1167.014-4.4441-2.61495.42596.47489.86090.3457-0.216-0.12490.5782-0.87111.41951-1.44860.3980.9221-0.2790.141.66630.59011.442393.738848.5013-39.1659
1174.7573-3.15151.65519.583.4733.36440.11170.9022-0.15460.4332-0.20750.37590.29640.75070.10870.9772-0.30750.01581.7435-0.38881.2865252.0443124.42842.4784
1185.1614-6.01873.22838.1717-2.68413.0434-0.1833-0.14460.2062-0.77820.1331-0.7962-0.61830.78630.05250.9957-0.18530.09960.8957-0.18631.3775248.6236129.56594.142
1198.7495-5.2839-3.44133.85030.34935.8775-0.54420.02680.81890.00580.5043-1.1028-1.4131.17950.0691.2029-0.5874-0.05982.2042-0.77961.2257254.722133.161610.0915
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