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- PDB-4dr2: Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal... -

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Basic information

Entry
Database: PDB / ID: 4dr2
TitleCrystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with multiple copies of paromomycin molecules bound
Components
  • (30S ribosomal protein ...) x 20
  • 16S rRNA
KeywordsRIBOSOME/ANTIBIOTIC / decoding / Streptomycin / RNA structure / antibiotic resistance / RIBOSOME-ANTIBIOTIC complex
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 S3, bacterial-type / Ribosomal protein S19, bacterial-type / Ribosomal protein S13, bacterial-type / Ribosomal protein S6, conserved site / Ribosomal protein S14/S29 / 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
PAROMOMYCIN / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS8 ...PAROMOMYCIN / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS7 / Small ribosomal subunit protein uS2 / Small ribosomal subunit protein uS3 / Small ribosomal subunit protein uS4 / Small ribosomal subunit protein uS9 / Small ribosomal subunit protein uS11 / Small ribosomal subunit protein uS13 / Small ribosomal subunit protein bS20 / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS10 / Small ribosomal subunit protein uS19 / 30S ribosomal protein S17 / 30S ribosomal protein S14 type Z / 30S ribosomal protein S8 / Small ribosomal subunit protein uS5 / Small ribosomal subunit protein bTHX / Small ribosomal subunit protein uS15 / Small ribosomal subunit protein bS16 / Small ribosomal subunit protein bS6 / Small ribosomal subunit protein bS18
Similarity search - Component
Biological speciesThermus thermophilus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 3.249 Å
AuthorsDemirci, H. / Murphy IV, F. / Murphy, E. / Gregory, S.T. / Dahlberg, A.E. / Jogl, G.
CitationJournal: Nat Commun / Year: 2013
Title: A structural basis for streptomycin-induced misreading of the genetic code.
Authors: Demirci, H. / Murphy, F. / Murphy, E. / Gregory, S.T. / Dahlberg, A.E. / Jogl, G.
History
DepositionFeb 16, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 14, 2012Provider: repository / Type: Initial release
Revision 1.1Jan 23, 2013Group: Database references
Revision 1.2Jan 30, 2013Group: Database references
Revision 1.3Feb 19, 2025Group: Advisory / Data collection ...Advisory / Data collection / Database references / Derived calculations / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / pdbx_struct_conn_angle / pdbx_unobs_or_zero_occ_atoms / struct_conn / struct_ref_seq_dif / struct_site
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_ptnr1_label_alt_id / _struct_conn.pdbx_ptnr2_label_alt_id / _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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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: 16S rRNA
B: 30S ribosomal protein S2
C: 30S ribosomal protein S3
D: 30S ribosomal protein S4
E: 30S ribosomal protein S5
F: 30S ribosomal protein S6
G: 30S ribosomal protein S7
H: 30S ribosomal protein S8
I: 30S ribosomal protein S9
J: 30S ribosomal protein S10
K: 30S ribosomal protein S11
L: 30S ribosomal protein S12
M: 30S ribosomal protein S13
N: 30S ribosomal protein S14
O: 30S ribosomal protein S15
P: 30S ribosomal protein S16
Q: 30S ribosomal protein S17
R: 30S ribosomal protein S18
S: 30S ribosomal protein S19
T: 30S ribosomal protein S20
U: 30S ribosomal protein THX
hetero molecules


Theoretical massNumber of molelcules
Total (without water)802,334361
Polymers783,93621
Non-polymers18,398340
Water9,674537
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)402.596, 402.596, 177.577
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number92
Space group name H-MP41212

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Components

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RNA chain , 1 types, 1 molecules A

#1: RNA chain 16S rRNA


Mass: 494170.781 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: GenBank: M26923.1

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30S ribosomal protein ... , 20 types, 20 molecules BCDEFGHIJKLMNOPQRSTU

#2: Protein 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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: P0DOY9*PLUS
#9: Protein 30S 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 30S 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 30S 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 30S 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, UniProt: Q5SHN3*PLUS
#13: Protein 30S 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 30S 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: P0DOY6*PLUS
#15: Protein 30S 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 30S 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 30S ribosomal protein S17


Mass: 12324.670 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHP7, UniProt: P0DOY7*PLUS
#18: Protein 30S 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 30S 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 30S 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 30S 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

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Non-polymers , 4 types, 877 molecules

#22: Chemical
ChemComp-PAR / PAROMOMYCIN / PAROMOMYCIN I / AMMINOSIDIN / CATENULIN / CRESTOMYCIN / MONOMYCIN A / NEOMYCIN E


Mass: 615.628 Da / Num. of mol.: 17 / Source method: obtained synthetically / Formula: C23H45N5O14 / Comment: medication*YM
#23: Chemical...
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 321 / Source method: obtained synthetically / Formula: Mg
#24: Chemical ChemComp-ZN / ZINC ION


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


Mass: 18.015 Da / Num. of mol.: 537 / Source method: isolated from a natural source / Formula: H2O

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Details

Has protein modificationY

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Experimental details

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Experiment

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

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Sample preparation

CrystalDensity Matthews: 4.59 Å3/Da / Density % sol: 73.2 %
Crystal growTemperature: 277 K / Method: hanging drop / pH: 6.5 / Details: MPD, pH 6.5, HANGING DROP, temperature 277K

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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: Oct 14, 2008
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: 3.7 % / Av σ(I) over netI: 10.77 / Number: 843275 / Rmerge(I) obs: 0.115 / Χ2: 1.06 / D res high: 3.25 Å / D res low: 45 Å / Num. obs: 226409 / % possible obs: 99.6
Diffraction reflection shell
Highest resolution (Å)Lowest resolution (Å)% possible obs (%)IDRmerge(I) obsChi squaredRedundancy
6.994597.210.0411.0123.6
5.556.9999.610.0791.0933.7
4.855.5599.810.0871.0193.7
4.414.8599.910.1031.0423.7
4.094.4110010.1391.0883.7
3.854.0910010.1991.073.7
3.663.8510010.2731.0933.8
3.53.6610010.4011.0863.8
3.373.510010.5761.0663.8
3.253.3710010.8111.0553.8
ReflectionResolution: 3.249→45 Å / Num. all: 226409 / Num. obs: 226409 / % possible obs: 99.6 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 3.7 % / Rmerge(I) obs: 0.115 / Χ2: 1.063 / Net I/σ(I): 7.8
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
3.249-3.373.80.811224441.0551100
3.37-3.53.80.576225111.0661100
3.5-3.663.80.401225201.0861100
3.66-3.853.80.273225741.0931100
3.85-4.093.70.199225631.071100
4.09-4.413.70.139226291.0881100
4.41-4.853.70.103226651.042199.9
4.85-5.553.70.087227321.019199.8
5.55-6.993.70.079228391.093199.6
6.99-453.60.041229321.012197.2

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Processing

Software
NameVersionClassificationNB
DENZOdata reduction
SCALEPACKdata scaling
PHENIXdev_978refinement
PDB_EXTRACT3.1data extraction
HKL-2000data collection
PHENIXdev_978phasing
RefinementMethod to determine structure: FOURIER SYNTHESIS / Resolution: 3.249→44.389 Å / Occupancy max: 1 / Occupancy min: 0.42 / FOM work R set: 0.8659 / SU ML: 0.37 / σ(F): 1.34 / Phase error: 20.42 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2109 11411 5.04 %FROM PDB ENTRY 2VQE
Rwork0.1711 ---
obs0.1731 226222 99.61 %-
all-226222 --
Solvent computationShrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 52.454 Å2 / ksol: 0.268 e/Å3
Displacement parametersBiso max: 585.54 Å2 / Biso mean: 98.2273 Å2 / Biso min: 28.81 Å2
Baniso -1Baniso -2Baniso -3
1--8.6416 Å2-0 Å20 Å2
2---8.6416 Å20 Å2
3---17.2833 Å2
Refinement stepCycle: LAST / Resolution: 3.249→44.389 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19143 32504 1037 537 53221
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00757138
X-RAY DIFFRACTIONf_angle_d1.03284725
X-RAY DIFFRACTIONf_chiral_restr0.06810714
X-RAY DIFFRACTIONf_plane_restr0.0064897
X-RAY DIFFRACTIONf_dihedral_angle_d24.78927624
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 (%)
3.249-3.28590.35533940.298371137507100
3.2859-3.32460.28333720.271870887460100
3.3246-3.36510.29463980.257370847482100
3.3651-3.40770.28993760.249171677543100
3.4077-3.45250.26693800.241870537433100
3.4525-3.49980.27954060.238971177523100
3.4998-3.54980.25523930.216971607553100
3.5498-3.60270.26024000.210370677467100
3.6027-3.6590.24353660.203771227488100
3.659-3.7190.22354050.194170927497100
3.719-3.7830.23513950.184271447539100
3.783-3.85180.21753450.182671747519100
3.8518-3.92580.23523800.176371337513100
3.9258-4.00590.19733610.172271627523100
4.0059-4.0930.20614130.161371097522100
4.093-4.18810.18283560.151471887544100
4.1881-4.29280.19813790.147671407519100
4.2928-4.40870.18464050.145271427547100
4.4087-4.53830.17683970.143771727569100
4.5383-4.68470.20283550.145272047559100
4.6847-4.85190.19443440.141271887532100
4.8519-5.04590.18133930.136371607553100
5.0459-5.27520.17833620.138172117573100
5.2752-5.55280.18613800.135572107590100
5.5528-5.90.17723850.13572357620100
5.9-6.35430.18943470.139472497596100
6.3543-6.99160.18493750.13787231760699
6.9916-7.99820.18143680.14017245761399
7.9982-10.05750.19773990.16697217761698
10.0575-44.3930.23233820.21877234761694
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)
10.21870.0916-0.07580.1896-0.05630.14540.06010.05980.00650.0720.0420.060.08630.026600.4410.02890.05480.42090.01510.4733144.849884.4511-11.5033
20.3693-0.0651-0.1368-0.36340.0799-0.01640.2642-0.33510.0431-0.54830.00570.2784-0.07730.150.3188-0.1189-0.23570.38510.8932-0.27090.2866224.6299130.50889.6093
30.1667-0.0243-0.1030.0262-0.11490.1775-0.0630.0051-0.1959-0.02970.0902-0.18260.13650.139900.47160.06360.02230.5411-0.0130.5978166.492671.8481-24.3951
40.00890.00840.00760.00590.00760.00660.0375-0.0509-0.0143-0.09710.04730.11840.055-0.0297-00.80390.10120.20140.55640.14311.067153.5939157.3685-30.2277
50.01130.0030.00880.0070.00040.00250.0101-0.00370.0377-0.03120.0086-0.0083-0.03750.059600.3663-0.07650.27340.214-0.09420.6545169.0298160.5568-15.4503
60.00570.00250.00050.00650.00070.006-0.0401-0.05050.04920.06740.0410.0175-0.01130.046600.7976-0.23850.21770.9343-0.33890.9833187.3689161.2175-3.5417
70.02980.00890.02910.0059-0.00020.0244-0.107-0.08660.0858-0.06270.0963-0.0103-0.05590.012200.80460.01870.23370.3267-0.01151.0078162.216159.8008-18.862
80.0642-0.0023-0.00660.00950.03210.0397-0.01160.1613-0.00960.07120.044-0.0603-0.0381-0.02160.01850.7636-0.15670.30091.2949-0.90190.1905207.5299143.615833.5117
90.0076-0.0004-0.00410.0007-0.0010.0019-0.0366-0.05970.0190.01320.00140.0605-0.0287-0.0395-00.6004-0.02040.17581.0967-0.25510.7509186.9199133.917822.6885
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1000.0010.00020.0020.00070.00040.00390.0099-0.00730.0048-0.00350.0186-0.0419-0.02040.00500.79320.07630.09850.95660.02760.6797184.3314131.0314-63.2776
1010.0041-0.0033-0.00780.0037-0.00050.00710.08460.04060.0018-0.05780.0981-0.02870.01990.05190.00010.6780.10830.03420.87880.17490.5292184.0822124.8997-69.8827
1020.0018-0.00060.00140.0028-0.00250.0002-0.0433-0.0284-0.0431-0.03120.02520.01390.0245-0.0016-0.00010.86620.0074-0.17211.1092-0.04151.0023254.2066114.656327.8498
103-0.0005-0.001-0.0006-0.0005-0.00090.00040.0010.0029-0.00670.0177-0.004-0.01350.007-0.002701.63640.096-0.04861.90530.07831.4852253.8125102.076342.8179
1040.01680.01130.00450.00730.00250.0010.00520.00090.00180.00090.0008-0.00190.0085-0.00970.00011.8897-0.040.00471.91020.08711.9512252.764190.923540.4467
1050.00030.00060.0003-0.0009-0.00130.003-0.00930.0081-0.0286-0.011-0.00140.00660.0039-0.0182-01.0925-0.0112-0.18121.44520.07791.1522251.3984102.241933.4507
1060.0042-0.0003-0.0041-0.0015-0.0020.0074-0.0324-0.0047-0.02430.00270.0002-0.04640.0220.0389-00.64730.0018-0.16141.01340.10320.5687247.727998.18825.1246
1070.00750.01350.00620.0277-0.00810.00260.0296-0.04520.03-0.00850.0191-0.01160.03520.0181-00.9027-0.15180.01840.50070.10640.7202114.12442.6467-13.416
1080.00060.00300.0042-0.00310.00180.0352-0.1133-0.0320.0448-0.00910.0761-0.00510.02600.682-0.1427-0.02460.43280.16820.707199.208644.0016-27.2371
1090.0007-0.0010.00150.0109-0.00450.00450.0024-0.0015-0.00340.01040.00210.0020.02970.010700.6315-0.0701-0.13280.62320.05940.7027107.858753.5058-14.3397
1100.00070.0028-0.00450.0025-0.00220.0087-0.00270.02670.017-0.0435-0.07360.0214-0.0173-0.0022-00.8299-0.186-0.05960.84380.28530.8237100.206751.363-33.5203
1110.0046-0.00260.00410.0045-0.00250.007-0.0025-0.0064-0.00670.01060.0078-0.00660.00960.0103-00.8393-0.0737-0.0031.0042-0.11040.885253.485125.64792.2409
1120.00360.0004-0.00250.0020.00090.00520.0181-0.03580.0001-0.00330.0166-0.0057-0.00250.0216-00.9206-0.2213-0.03761.1188-0.26211.0645253.2619132.70487.2131
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 1401:1544)A0
4X-RAY DIFFRACTION4chain 'B' and (resseq 6:63)B6 - 63
5X-RAY DIFFRACTION5chain 'B' and (resseq 64:104)B64 - 104
6X-RAY DIFFRACTION6chain 'B' and (resseq 105:148)B105 - 148
7X-RAY DIFFRACTION7chain 'B' and (resseq 149:241)B149 - 241
8X-RAY DIFFRACTION8chain 'C' and (resseq 2:112)C2 - 112
9X-RAY DIFFRACTION9chain 'C' and (resseq 113:143)C113 - 143
10X-RAY DIFFRACTION10chain 'C' and (resseq 144:208)C144 - 208
11X-RAY DIFFRACTION11chain 'D' and (resseq 2:14)D2 - 14
12X-RAY DIFFRACTION12chain 'D' and (resseq 15:34)D15 - 34
13X-RAY DIFFRACTION13chain 'D' and (resseq 35:52)D35 - 52
14X-RAY DIFFRACTION14chain 'D' and (resseq 53:99)D53 - 99
15X-RAY DIFFRACTION15chain 'D' and (resseq 100:148)D100 - 148
16X-RAY DIFFRACTION16chain 'D' and (resseq 149:164)D149 - 164
17X-RAY DIFFRACTION17chain 'D' and (resseq 165:181)D165 - 181
18X-RAY DIFFRACTION18chain 'D' and (resseq 182:209)D182 - 209
19X-RAY DIFFRACTION19chain 'E' and (resseq 5:20)E5 - 20
20X-RAY DIFFRACTION20chain 'E' and (resseq 21:35)E21 - 35
21X-RAY DIFFRACTION21chain 'E' and (resseq 36:50)E36 - 50
22X-RAY DIFFRACTION22chain 'E' and (resseq 51:64)E51 - 64
23X-RAY DIFFRACTION23chain 'E' and (resseq 65:79)E65 - 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 141:155)E141 - 155
28X-RAY DIFFRACTION28chain 'F' and (resseq 1:15)F1 - 15
29X-RAY DIFFRACTION29chain 'F' and (resseq 16:32)F16 - 32
30X-RAY DIFFRACTION30chain 'F' and (resseq 33:42)F33 - 42
31X-RAY DIFFRACTION31chain 'F' and (resseq 43:47)F43 - 47
32X-RAY DIFFRACTION32chain 'F' and (resseq 48:68)F48 - 68
33X-RAY DIFFRACTION33chain 'F' and (resseq 69:81)F69 - 81
34X-RAY DIFFRACTION34chain 'F' and (resseq 82:92)F82 - 92
35X-RAY DIFFRACTION35chain 'F' and (resseq 93:101)F93 - 101
36X-RAY DIFFRACTION36chain 'G' and (resseq 2:11)G2 - 11
37X-RAY DIFFRACTION37chain 'G' and (resseq 12:128)G12 - 128
38X-RAY DIFFRACTION38chain 'G' and (resseq 129:156)G129 - 156
39X-RAY DIFFRACTION39chain 'H' and (resseq 1:18)H1 - 18
40X-RAY DIFFRACTION40chain 'H' and (resseq 19:29)H19 - 29
41X-RAY DIFFRACTION41chain 'H' and (resseq 30:41)H30 - 41
42X-RAY DIFFRACTION42chain 'H' and (resseq 42:62)H42 - 62
43X-RAY DIFFRACTION43chain 'H' and (resseq 63:72)H63 - 72
44X-RAY DIFFRACTION44chain 'H' and (resseq 73:85)H73 - 85
45X-RAY DIFFRACTION45chain 'H' and (resseq 86:95)H86 - 95
46X-RAY DIFFRACTION46chain 'H' and (resseq 96:114)H96 - 114
47X-RAY DIFFRACTION47chain 'H' and (resseq 115:138)H115 - 138
48X-RAY DIFFRACTION48chain 'I' and (resseq 2:21)I2 - 21
49X-RAY DIFFRACTION49chain 'I' and (resseq 22:32)I22 - 32
50X-RAY DIFFRACTION50chain 'I' and (resseq 33:40)I33 - 40
51X-RAY DIFFRACTION51chain 'I' and (resseq 41:69)I41 - 69
52X-RAY DIFFRACTION52chain 'I' and (resseq 70:88)I70 - 88
53X-RAY DIFFRACTION53chain 'I' and (resseq 89:119)I89 - 119
54X-RAY DIFFRACTION54chain 'I' and (resseq 120:128)I120 - 128
55X-RAY DIFFRACTION55chain 'J' and (resseq 3:10)J3 - 10
56X-RAY DIFFRACTION56chain 'J' and (resseq 11:28)J11 - 28
57X-RAY DIFFRACTION57chain 'J' and (resseq 29:80)J29 - 80
58X-RAY DIFFRACTION58chain 'J' and (resseq 81:93)J81 - 93
59X-RAY DIFFRACTION59chain 'J' and (resseq 94:101)J94 - 101
60X-RAY DIFFRACTION60chain 'K' and (resseq 11:34)K11 - 34
61X-RAY DIFFRACTION61chain 'K' and (resseq 35:99)K35 - 99
62X-RAY DIFFRACTION62chain 'K' and (resseq 100:110)K100 - 110
63X-RAY DIFFRACTION63chain 'K' and (resseq 111:120)K111 - 120
64X-RAY DIFFRACTION64chain 'K' and (resseq 121:127)K121 - 127
65X-RAY DIFFRACTION65chain 'L' and (resseq 5:12)L5 - 12
66X-RAY DIFFRACTION66chain 'L' and (resseq 13:22)L13 - 22
67X-RAY DIFFRACTION67chain 'L' and (resseq 23:31)L23 - 31
68X-RAY DIFFRACTION68chain 'L' and (resseq 32:122)L32 - 122
69X-RAY DIFFRACTION69chain 'L' and (resseq 123:129)L123 - 129
70X-RAY DIFFRACTION70chain 'M' and (resseq 2:14)M2 - 14
71X-RAY DIFFRACTION71chain 'M' and (resseq 15:49)M15 - 49
72X-RAY DIFFRACTION72chain 'M' and (resseq 50:61)M50 - 61
73X-RAY DIFFRACTION73chain 'M' and (resseq 62:66)M62 - 66
74X-RAY DIFFRACTION74chain 'M' and (resseq 67:83)M67 - 83
75X-RAY DIFFRACTION75chain 'M' and (resseq 84:93)M84 - 93
76X-RAY DIFFRACTION76chain 'M' and (resseq 94:119)M94 - 119
77X-RAY DIFFRACTION77chain 'N' and (resseq 2:9)N2 - 9
78X-RAY DIFFRACTION78chain 'N' and (resseq 10:14)N10 - 14
79X-RAY DIFFRACTION79chain 'N' and (resseq 15:19)N15 - 19
80X-RAY DIFFRACTION80chain 'N' and (resseq 20:24)N20 - 24
81X-RAY DIFFRACTION81chain 'N' and (resseq 25:29)N25 - 29
82X-RAY DIFFRACTION82chain 'N' and (resseq 30:50)N30 - 50
83X-RAY DIFFRACTION83chain 'N' and (resseq 51:61)N51 - 61
84X-RAY DIFFRACTION84chain 'O' and (resseq 2:15)O2 - 15
85X-RAY DIFFRACTION85chain 'O' and (resseq 16:44)O16 - 44
86X-RAY DIFFRACTION86chain 'O' and (resseq 45:73)O45 - 73
87X-RAY DIFFRACTION87chain 'O' and (resseq 74:89)O74 - 89
88X-RAY DIFFRACTION88chain 'P' and (resseq 1:39)P1 - 39
89X-RAY DIFFRACTION89chain 'P' and (resseq 40:48)P40 - 48
90X-RAY DIFFRACTION90chain 'P' and (resseq 49:61)P49 - 61
91X-RAY DIFFRACTION91chain 'P' and (resseq 62:84)P62 - 84
92X-RAY DIFFRACTION92chain 'Q' and (resseq 2:12)Q2 - 12
93X-RAY DIFFRACTION93chain 'Q' and (resseq 13:28)Q13 - 28
94X-RAY DIFFRACTION94chain 'Q' and (resseq 29:45)Q29 - 45
95X-RAY DIFFRACTION95chain 'Q' and (resseq 46:81)Q46 - 81
96X-RAY DIFFRACTION96chain 'Q' and (resseq 82:97)Q82 - 97
97X-RAY DIFFRACTION97chain 'Q' and (resseq 98:102)Q98 - 102
98X-RAY DIFFRACTION98chain 'R' and (resseq 16:20)R16 - 20
99X-RAY DIFFRACTION99chain 'R' and (resseq 21:43)R21 - 43
100X-RAY DIFFRACTION100chain 'R' and (resseq 44:59)R44 - 59
101X-RAY DIFFRACTION101chain 'R' and (resseq 60:88)R60 - 88
102X-RAY DIFFRACTION102chain 'S' and (resseq 2:12)S2 - 12
103X-RAY DIFFRACTION103chain 'S' and (resseq 13:25)S13 - 25
104X-RAY DIFFRACTION104chain 'S' and (resseq 26:30)S26 - 30
105X-RAY DIFFRACTION105chain 'S' and (resseq 31:47)S31 - 47
106X-RAY DIFFRACTION106chain 'S' and (resseq 48:82)S48 - 82
107X-RAY DIFFRACTION107chain 'T' and (resseq 8:45)T8 - 45
108X-RAY DIFFRACTION108chain 'T' and (resseq 46:68)T46 - 68
109X-RAY DIFFRACTION109chain 'T' and (resseq 69:75)T69 - 75
110X-RAY DIFFRACTION110chain 'T' and (resseq 76:106)T76 - 106
111X-RAY DIFFRACTION111chain 'U' and (resseq 2:8)U2 - 8
112X-RAY DIFFRACTION112chain 'U' and (resseq 9:26)U9 - 26

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