[English] 日本語
Yorodumi
- PDB-4lf4: Crystal Structure of 30S ribosomal subunit from Thermus thermophilus -

+
Open data


ID or keywords:

Loading...

-
Basic information

Entry
Database: PDB / ID: 4lf4
TitleCrystal Structure of 30S ribosomal subunit from Thermus thermophilus
Components
  • (ribosomal protein ...) x 20
  • 16S rRNA
KeywordsRIBOSOME / 30S ribosomal subunit / Kasugamycin / KsgA / RNA structure / Thermus thermophilus / Antibiotic resistance / Decoding
Function / homology
Function and homology information


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
Similarity search - Function
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
Similarity search - Domain/homology
: / 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
Similarity search - Component
Biological speciesThermus thermophilus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 3.3421 Å
AuthorsDemirci, H. / Belardinelli, R. / Carr, J. / Murphy IV, F. / Jogl, G. / Dahlberg, A.E. / Gregory, S.T.
CitationJournal: To be Published / Year: 2013
Title: Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Authors: Demirci, H. / Belardinelli, R. / Carr, J. / Murphy IV, F. / Jogl, G. / Dahlberg, A.E. / Gregory, S.T.
History
DepositionJun 26, 2013Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 2, 2014Provider: repository / Type: Initial release
Revision 1.1Mar 26, 2025Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary
Category: 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

-
Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

-
Assembly

Deposited unit
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
hetero molecules


Theoretical massNumber of molelcules
Total (without water)788,570187
Polymers783,88021
Non-polymers4,690166
Water1086
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
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
Detailsbiological unit is a monomer

-
Components

-
RNA chain , 1 types, 1 molecules A

#1: RNA chain 16S rRNA


Mass: 494114.656 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: GenBank: M26923.1

-
Ribosomal protein ... , 20 types, 20 molecules BCDEFGHIJKLMNOPQRSTU

#2: Protein ribosomal protein S2


Mass: 29317.703 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80371
#3: Protein ribosomal protein S3


Mass: 26751.076 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80372
#4: Protein ribosomal protein S4


Mass: 24373.447 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80373
#5: Protein ribosomal protein S5


Mass: 17583.416 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHQ5
#6: Protein ribosomal protein S6


Mass: 11988.753 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SLP8
#7: Protein ribosomal protein S7


Mass: 18050.973 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P17291
#8: Protein ribosomal protein S8


Mass: 15868.570 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHQ2, UniProt: A0A0M9AFS9*PLUS
#9: Protein ribosomal protein S9


Mass: 14410.614 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80374
#10: Protein ribosomal protein S10


Mass: 11954.968 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHN7
#11: Protein ribosomal protein S11


Mass: 13737.868 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80376
#12: Protein ribosomal protein S12


Mass: 14966.846 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: F6DEQ7
#13: Protein ribosomal protein S13


Mass: 14338.861 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80377
#14: Protein ribosomal protein S14


Mass: 7158.725 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHQ1, UniProt: A0A0N0BLP2*PLUS
#15: Protein ribosomal protein S15


Mass: 10578.407 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SJ76
#16: Protein ribosomal protein S16


Mass: 10409.983 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SJH3
#17: Protein ribosomal protein S17


Mass: 12325.655 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHP7, UniProt: A0A0N0BLS5*PLUS
#18: Protein ribosomal protein S18


Mass: 10258.299 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SLQ0
#19: Protein ribosomal protein S19


Mass: 10605.464 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHP2
#20: Protein ribosomal protein S20


Mass: 11736.143 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80380
#21: Protein/peptide ribosomal protein THX


Mass: 3350.030 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SIH3

-
Non-polymers , 5 types, 172 molecules

#22: Chemical...
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 153 / Source method: obtained synthetically / Formula: Mg
#23: Chemical
ChemComp-K / POTASSIUM ION


Mass: 39.098 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: K
#24: Chemical 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


Mass: 449.542 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C19H39N5O7
#25: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#26: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 6 / Source method: isolated from a natural source / Formula: H2O

-
Details

Has protein modificationY

-
Experimental details

-
Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

-
Sample preparation

CrystalDensity Matthews: 4.5 Å3/Da / Density % sol: 72.68 %
Crystal growTemperature: 277 K / Method: hanging drop / pH: 6.5 / Details: MPD, pH 6.5, hanging drop, temperature 277K

-
Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.98 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Nov 7, 2010
RadiationMonochromator: KOHZU HLD8-24 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.98 Å / Relative weight: 1
ReflectionRedundancy: 3.2 % / Av σ(I) over netI: 11.52 / Number: 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
Highest resolution (Å)Lowest resolution (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
ReflectionResolution: 3.342→35 Å / Num. all: 202709 / Num. obs: 202709 / % possible obs: 99.1 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 3.2 % / Rmerge(I) obs: 0.096 / Χ2: 1.298 / Net I/σ(I): 12.3
Reflection shell
Resolution (Å)Redundancy (%)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

-
Processing

Software
NameVersionClassificationNB
DENZOdata reduction
SCALEPACKdata scaling
PHENIXdev_1119refinement
PDB_EXTRACT3.11data extraction
HKL-2000data collection
PHENIXphasing
RefinementMethod to determine structure: FOURIER SYNTHESIS / Resolution: 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 / Phase error: 19.47 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2077 10183 5.03 %FROM PDB ENTRY 2VQE
Rwork0.1719 ---
all0.1737 202592 --
obs0.1737 202592 98.92 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 314.35 Å2 / Biso mean: 114.001 Å2 / Biso min: 43.37 Å2
Refinement stepCycle: LAST / Resolution: 3.3421→34.352 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19153 32522 196 6 51877
Refine LS restraints
Refine-IDTypeDev idealNumber
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 refinement shell

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

Resolution (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
Refinement TLS params.

Method: 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
Refinement TLS group
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

+
About Yorodumi

-
News

-
Feb 9, 2022. New format data for meta-information of EMDB entries

New format data for meta-information of EMDB entries

  • Version 3 of the EMDB header file is now the official format.
  • The previous official version 1.9 will be removed from the archive.

Related info.:EMDB header

External links:wwPDB to switch to version 3 of the EMDB data model

-
Aug 12, 2020. Covid-19 info

Covid-19 info

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

New page: Covid-19 featured information page in EM Navigator.

Related info.:Covid-19 info / Mar 5, 2020. Novel coronavirus structure data

+
Mar 5, 2020. Novel coronavirus structure data

Novel coronavirus structure data

Related info.:Yorodumi Speices / Aug 12, 2020. Covid-19 info

External links:COVID-19 featured content - PDBj / Molecule of the Month (242)：Coronavirus Proteases

+
Jan 31, 2019. EMDB accession codes are about to change! (news from PDBe EMDB page)

EMDB accession codes are about to change! (news from PDBe EMDB page)

  • The allocation of 4 digits for EMDB accession codes will soon come to an end. Whilst these codes will remain in use, new EMDB accession codes will include an additional digit and will expand incrementally as the available range of codes is exhausted. The current 4-digit format prefixed with “EMD-” (i.e. EMD-XXXX) will advance to a 5-digit format (i.e. EMD-XXXXX), and so on. It is currently estimated that the 4-digit codes will be depleted around Spring 2019, at which point the 5-digit format will come into force.
  • The EM Navigator/Yorodumi systems omit the EMD- prefix.

Related info.:Q: What is EMD? / ID/Accession-code notation in Yorodumi/EM Navigator

External links:EMDB Accession Codes are Changing Soon! / Contact to PDBj

+
Jul 12, 2017. Major update of PDB

Major update of PDB

  • wwPDB released updated PDB data conforming to the new PDBx/mmCIF dictionary.
  • This is a major update changing the version number from 4 to 5, and with Remediation, in which all the entries are updated.
  • In this update, many items about electron microscopy experimental information are reorganized (e.g. em_software).
  • Now, EM Navigator and Yorodumi are based on the updated data.

External links:wwPDB Remediation / Enriched Model Files Conforming to OneDep Data Standards Now Available in the PDB FTP Archive

-
Yorodumi

Thousand views of thousand structures

  • Yorodumi is a browser for structure data from EMDB, PDB, SASBDB, etc.
  • This page is also the successor to EM Navigator detail page, and also detail information page/front-end page for Omokage search.
  • The word "yorodu" (or yorozu) is an old Japanese word meaning "ten thousand". "mi" (miru) is to see.

Related info.:EMDB / PDB / SASBDB / Comparison of 3 databanks / Yorodumi Search / Aug 31, 2016. New EM Navigator & Yorodumi / Yorodumi Papers / Jmol/JSmol / Function and homology information / Changes in new EM Navigator and Yorodumi

Read more