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- PDB-4dr1: Crystal structure of the apo 30S ribosomal subunit from Thermus t... -

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Basic information

Entry
Database: PDB / ID: 4dr1
TitleCrystal structure of the apo 30S ribosomal subunit from Thermus thermophilus (HB8)
Components
  • (30S ribosomal protein ...) x 20
  • 16S rRNA
KeywordsRIBOSOME / decoding / Streptomycin / RNA structure / antibiotic resistance
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
: / 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 ...: / 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: 3.6 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: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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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)790,240277
Polymers783,93621
Non-polymers6,304256
Water4,306239
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)403.038, 403.038, 174.361
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 , 3 types, 495 molecules

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


Mass: 24.305 Da / Num. of mol.: 254 / Source method: obtained synthetically / Formula: Mg
#23: Chemical ChemComp-ZN / ZINC ION


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


Mass: 18.015 Da / Num. of mol.: 239 / 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: 4.52 Å3/Da / Density % sol: 72.76 %
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: 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: 4.8 % / Av σ(I) over netI: 15.85 / Number: 783690 / Rmerge(I) obs: 0.085 / Χ2: 1.09 / D res high: 3.6 Å / D res low: 35 Å / Num. obs: 163468 / % possible obs: 99.2
Diffraction reflection shell
Highest resolution (Å)Lowest resolution (Å)% possible obs (%)IDRmerge(I) obsChi squaredRedundancy
7.733597.210.0381.0334.6
6.157.7399.310.0571.0834.7
5.376.1599.510.0741.1084.8
4.885.3799.510.0931.1024.8
4.534.8899.510.1251.0764.8
4.274.5399.610.1811.1144.9
4.054.2799.510.2781.1174.9
3.884.0599.510.4031.094.8
3.733.8899.410.5951.0944.8
3.63.7399.210.9231.0714.8
ReflectionResolution: 3.6→35 Å / Num. all: 163468 / Num. obs: 163468 / % possible obs: 99.2 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 4.8 % / Rmerge(I) obs: 0.085 / Χ2: 1.089 / Net I/σ(I): 12
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
3.6-3.734.80.923161461.071199.2
3.73-3.884.80.595162151.094199.4
3.88-4.054.80.403162351.09199.5
4.05-4.274.90.278162551.117199.5
4.27-4.534.90.181162571.114199.6
4.53-4.884.80.125163511.076199.5
4.88-5.374.80.093163761.102199.5
5.37-6.154.80.074164181.108199.5
6.15-7.734.70.057165451.083199.3
7.73-354.60.038166701.033197.2

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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: 3.6→34.644 Å / Occupancy max: 1 / Occupancy min: 0.38 / FOM work R set: 0.8746 / SU ML: 0.32 / σ(F): 1.33 / Phase error: 19.5 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2066 8155 4.99 %FROM PDB ENTRY 2VQE
Rwork0.1568 ---
obs0.1594 163397 99.21 %-
all-163397 --
Solvent computationShrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 105.279 Å2 / ksol: 0.251 e/Å3
Displacement parametersBiso max: 531.36 Å2 / Biso mean: 167.8544 Å2 / Biso min: 11.11 Å2
Baniso -1Baniso -2Baniso -3
1--4.2438 Å2-0 Å20 Å2
2---4.2438 Å20 Å2
3---8.4876 Å2
Refinement stepCycle: LAST / Resolution: 3.6→34.644 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19088 32507 256 239 52090
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01256177
X-RAY DIFFRACTIONf_angle_d1.49583300
X-RAY DIFFRACTIONf_chiral_restr0.08610413
X-RAY DIFFRACTIONf_plane_restr0.0094888
X-RAY DIFFRACTIONf_dihedral_angle_d19.48426123
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 (%)
3.6-3.64130.32412520.27995075532798
3.6413-3.68410.29832960.262751165412100
3.6841-3.7290.30632800.25355111539199
3.729-3.77610.28413020.235951335435100
3.7761-3.82580.27782210.22035130535199
3.8258-3.87810.25492750.21015143541899
3.8781-3.93340.24892670.200251535420100
3.9334-3.99210.23492700.19285142541299
3.9921-4.05430.23762840.18675125540999
4.0543-4.12070.22193050.170350945399100
4.1207-4.19160.23032560.16475174543099
4.1916-4.26770.25742420.1675178542099
4.2677-4.34970.2053090.156451465455100
4.3497-4.43830.19072640.149651375401100
4.4383-4.53460.19112960.14265107540399
4.5346-4.63980.19372580.13665197545599
4.6398-4.75560.19282530.12995180543399
4.7556-4.88380.20242590.12895199545899
4.8838-5.02710.17212890.12385151544099
5.0271-5.18890.17172520.119752015453100
5.1889-5.37370.17162630.112752165479100
5.3737-5.5880.16982770.116651885465100
5.588-5.84110.18552750.11785208548399
5.8411-6.14750.1792460.122352175463100
6.1475-6.53030.17642630.13025235549899
6.5303-7.03060.18982770.13415242551999
7.0306-7.7310.19362810.13155240552199
7.731-8.83340.17682730.13235296556999
8.8334-11.06860.19332810.14845299558099
11.0686-34.64560.23622890.21655209549894
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)
10.57940.0467-0.19310.683-0.00910.6401-0.0336-0.0942-0.18510.2260.10180.17770.29140.1098-0.09270.83840.17370.1240.72580.02731.114143.644783.3498-12.6066
23.156-0.48450.87230.62530.17780.43910.0093-1.76470.48510.43610.2146-0.39470.0185-0.1046-0.20741.251-0.22560.07112.568-0.76131.8411222.9176129.11689.8037
32.50251.3442-0.80231.0201-0.43020.48950.022-0.5402-0.68910.0508-0.033-0.49550.28950.29410.0481.17190.229-0.00691.28750.04531.549166.954571.615-26.0792
41.55990.42641.09980.8703-0.70542.1344-1.27930.1211-0.3015-0.03710.97740.1663-0.77840.90290.29741.8031-0.10550.44750.96340.10872.1001156.5265157.7486-34.264
52.2194-0.05861.40195.37482.44176.0185-0.1145-0.53580.3733-0.31-0.52610.81610.29140.17380.66681.3434-0.25450.58920.95310.04711.5588156.2915158.3979-24.1387
64.26012.01670.29642.767-1.22072.0540.3792-0.30720.5508-0.00890.8591-0.7711-1.00171.1199-1.05811.2849-0.28210.57921.2803-0.7332.0381177.8257158.1965-7.0666
70.75930.21221.08134.819-0.28982.24550.15690.21120.0034-0.79420.4247-0.7357-0.51310.2854-0.18451.6936-0.27170.93580.4943-0.18611.8938158.669155.8895-20.8818
83.0038-1.0519-3.37070.37241.22144.3647-0.42540.03240.45230.11990.6625-0.61280.05690.1161-0.15934.23-0.29470.36211.05850.05612.9824162.8375174.1637-21.3354
90.1808-0.1653-0.12120.12680.05210.34130.2025-0.610.37410.3507-0.50570.5523-0.4096-0.77690.10481.5774-0.25950.24844.1937-1.61081.8475207.4196140.494630.6132
100.0538-0.16830.12741.8392-0.21970.4957-0.0937-1.43820.25920.990.39120.2149-0.0334-0.4249-0.04311.1195-0.04850.20143.95-0.64391.1483193.0687135.080724.5496
112.5387-2.3363-1.10032.7519-0.36143.6779-0.074-0.6752-0.3590.5050.6284-0.0552-0.0845-0.0341-0.472.29930.0503-0.42041.4901-0.20711.2952153.4714111.132237.5189
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964.45894.3008-0.51484.23380.01494.1231-0.2970.93880.7166-0.7079-1.53890.4308-0.5162-0.63371.5931.7137-0.68720.02932.9718-0.43191.8861218.4432124.937328.5664
972.05261.91291.99397.29795.69134.6003-0.4064-0.47550.2489-0.244-0.56830.43470.05850.13460.79852.69990.8326-0.46851.8105-0.58791.9163219.5202120.700423.7134
980.4923-0.13581.11471.6852-1.01283.1955-0.722-0.15340.63410.0004-0.2242-0.1096-0.39770.31890.56311.1463-0.1785-0.31932.8097-0.80331.7114216.3598134.896220.3375
991.67071.5457-3.12686.08231.08969.80260.1152.16230.4657-1.89130.67530.2434-0.26810.36-0.60491.68510.2725-0.08621.61710.33611.0306141.6291111.0278-74.1783
1002.7052-2.85480.3494.82222.06043.43780.62240.6141-0.1924-0.91720.49180.3617-0.1249-0.1479-0.95771.123-0.1571-0.05471.11090.4270.9679145.0396104.5301-66.6044
1011.9748-0.58710.50135.44490.78981.05260.0978-0.9454-0.25130.3650.96650.18160.59210.6793-0.98540.89170.0875-0.1451.77350.07240.8351143.8157101.9762-56.4064
1023.8349-1.6203-4.5082.4991.90445.2998-0.63170.6123-0.4552-0.5218-0.52461.9210.8901-1.58351.08181.3191-0.3639-0.39381.5088-0.01372.1131131.10998.3049-63.6148
1035.565-1.75621.12283.8042-1.46296.40410.1066-0.2414-0.16-0.36680.0201-0.2510.47430.197-0.14361.40450.50090.60690.9920.34051.1744112.27272.42049.7249
1045.1719-0.01353.00171.2402-0.52181.9675-0.04770.1675-0.04790.61940.3285-0.48640.04170.7326-0.40091.16230.23990.64741.1213-0.10931.6751118.513878.531215.1032
1052.2761-2.92960.1357.1871-2.49211.7373-0.59140.1927-0.14070.7212-0.1281-0.24011.01750.38510.69961.76310.16370.52880.8970.03041.3739117.775873.26414.6142
1062.83040.93171.79941.91093.45476.24220.1784-0.53271.33530.33820.45620.9176-1.01130.0292-0.45531.5802-0.3380.70781.1496-0.00282.0184110.979284.309518.6348
1073.21480.7420.37192.1396-0.17271.693-0.20870.13860.5158-0.4669-0.12580.4917-0.34570.0130.18821.44540.35150.50631.13790.752.766100.660579.73785.065
1081.40271.24720.74784.2858-0.34845.41140.3436-0.3883-0.21250.704-0.46050.04450.4132-0.0535-0.021.9394-0.34310.67880.58420.24641.7652104.063473.145514.6048
1091.66391.55573.63614.14023.08467.9838-0.1162-1.0497-0.29760.8237-0.85841.21960.6551-1.55750.70041.9967-0.21520.97211.36040.11261.833293.840879.025915.9146
1103.04421.64491.07222.9726-0.14830.63180.02120.8086-0.0431-0.18020.3178-0.4990.4032-0.6011-0.1810.8007-0.11860.27511.13810.24991.4414120.646780.6132-38.6932
1114.05755.213.50276.79294.08394.7702-0.5247-0.23170.1379-0.36010.03791.24150.3183-0.19180.4250.6089-0.06910.07680.85030.24421.5743129.555589.3461-31.0169
1125.96721.7745-4.76144.3888-2.57815.5720.40650.83140.055-1.49980.79811.53340.652-1.4641-0.92741.123-0.053-0.5071.05420.31621.7684116.223681.6764-42.2255
1133.5393-0.2960.82934.6092-0.20693.17540.2828-0.16530.8380.6233-0.2140.5491-0.2291-0.0233-0.02411.0299-0.34220.01491.08420.38431.5696117.827279.9973-36.5495
1144.52110.75194.65087.6175-3.02226.73620.44350.4435-0.58610.1898-0.07180.0760.26290.4831-0.47011.1869-0.10730.1580.9377-0.21641.0554138.069985.8103-44.8862
1151.8862-1.40090.78842.2221-0.14037.7984-0.5712-0.28911.4105-0.65050.32520.7426-1.1764-0.15310.42582.2314-0.21660.490.8623-0.43982.5818177.8874140.8111-67.5147
1168.4748-4.1066-7.71823.46553.13147.3475-0.76820.3388-0.2873-0.3483-1.25170.1602-0.0941-0.46941.79351.2260.3381-0.07722.5240.24961.6413172.5436129.2352-76.8942
1177.0559-3.24332.27912.5243-0.75624.43510.3550.60371.3803-0.8888-0.408-1.6773-0.83260.2247-0.03411.19410.43730.62871.03450.57411.9732181.1993133.2253-74.6705
1185.6102-0.9847-0.99862.80033.9145.49510.8083-0.44350.72030.20720.8513-1.9453-0.91810.9845-1.31180.97850.18050.43881.6023-0.18111.274182.7026131.1759-63.784
1199.5395-2.6615-6.85922.6741.97048.91390.7367-0.32440.3671-0.42620.07520.31960.3476-0.5079-0.58091.2880.06860.23331.19130.34410.6789175.0969124.3182-69.8039
1207.26541.47321.86363.59591.82126.38490.0873-0.19860.6609-0.5519-0.1046-0.9092-0.05620.5512-0.05911.48550.23860.42361.55740.31561.6905193.1012126.1157-71.1793
1212.5674-0.4367-0.47035.0085-3.76863.9783-0.29760.7257-0.4573-0.1652-0.09090.8871.1958-1.2270.30252.10810.3194-0.8253.3864-0.76011.9307252.7552112.7528.1109
1222.98822.8252-0.61374.50571.14935.5522-0.4985-1.2840.2121.2261-0.0134-0.66450.02930.53060.35832.68240.8192-1.19193.645-0.81692.1175251.98799.801442.2599
1230.77360.30670.25680.12840.0340.6992-0.0194-0.08211.00410.20960.1802-0.7393-0.7450.8741-0.14911.9496-0.0013-0.58393.36250.61473.0853252.761888.635238.9108
1240.0180.0182-0.0080.085-0.24470.9414-0.5653-1.6804-0.39530.2739-0.20010.9688-0.4336-1.00740.58721.412-0.1865-0.59313.78380.44272.462244.8933100.938932.1107
1254.21335.1042.53857.7780.80334.78810.3637-1.4744-0.33730.5097-0.6631-0.461-0.00861.2290.29412.15680.0325-0.72133.56050.46762.8106251.941796.257332.5135
1260.10120.17710.02770.31080.041.0980.119-0.3566-0.0136-0.17510.2504-0.0219-0.06810.0693-0.36552.40660.0821-0.05222.28330.19831.9917242.690892.061227.2454
1272.98822.24950.15182.38482.03585.34850.4820.8086-0.977-0.1033-0.0152-0.47690.48610.9183-0.39961.8374-0.1549-0.87573.96510.91042.4906256.883799.213225.6524
1282.9022-1.6173.17260.9053-1.76653.4637-0.37470.04710.038-0.3062-0.1216-0.37090.06080.50960.3182.11140.2701-0.69712.84620.45062.0229242.460196.333117.8377
1292.4083-0.19723.24291.94820.75577.18960.3329-0.35050.06170.13770.66120.7644-0.0094-0.1715-0.54781.1534-0.15930.28130.63210.42971.5473108.033341.8518-20.175
1302.8067-0.26761.97231.93550.21892.0664-0.12810.03260.3772-0.38530.19770.26760.5002-0.4173-0.14481.3043-0.46590.15581.11330.46921.6305100.871150.5063-31.644
1314.4432-3.65962.39035.93631.09254.48960.4131-0.797-1.28220.4446-0.13870.09720.40540.1848-0.28261.3067-0.56170.07772.5113-0.82513.3763251.863124.6872.8064
1324.04010.559-0.45612.5354-0.14131.31070.3758-0.64030.37710.057-0.19550.0443-0.45280.2851-0.10582.0077-0.4453-0.4192.1567-0.97642.3227251.8997131.39468.2776
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 7:25)B7 - 25
5X-RAY DIFFRACTION5chain 'B' and (resseq 26:87)B26 - 87
6X-RAY DIFFRACTION6chain 'B' and (resseq 88:170)B88 - 170
7X-RAY DIFFRACTION7chain 'B' and (resseq 171:225)B171 - 225
8X-RAY DIFFRACTION8chain 'B' and (resseq 226:240)B226 - 240
9X-RAY DIFFRACTION9chain 'C' and (resseq 2:78)C2 - 78
10X-RAY DIFFRACTION10chain 'C' and (resseq 79:207)C79 - 207
11X-RAY DIFFRACTION11chain 'D' and (resseq 2:34)D2 - 34
12X-RAY DIFFRACTION12chain 'D' and (resseq 35:99)D35 - 99
13X-RAY DIFFRACTION13chain 'D' and (resseq 100:184)D100 - 184
14X-RAY DIFFRACTION14chain 'D' and (resseq 185:194)D185 - 194
15X-RAY DIFFRACTION15chain 'D' and (resseq 195:209)D195 - 209
16X-RAY DIFFRACTION16chain 'E' and (resseq 5:16)E5 - 16
17X-RAY DIFFRACTION17chain 'E' and (resseq 17:27)E17 - 27
18X-RAY DIFFRACTION18chain 'E' and (resseq 28:50)E28 - 50
19X-RAY DIFFRACTION19chain 'E' and (resseq 51:63)E51 - 63
20X-RAY DIFFRACTION20chain 'E' and (resseq 64:79)E64 - 79
21X-RAY DIFFRACTION21chain 'E' and (resseq 80:103)E80 - 103
22X-RAY DIFFRACTION22chain 'E' and (resseq 104:127)E104 - 127
23X-RAY DIFFRACTION23chain 'E' and (resseq 128:141)E128 - 141
24X-RAY DIFFRACTION24chain 'E' and (resseq 142:154)E142 - 154
25X-RAY DIFFRACTION25chain 'F' and (resseq 1:10)F1 - 10
26X-RAY DIFFRACTION26chain 'F' and (resseq 11:15)F11 - 15
27X-RAY DIFFRACTION27chain 'F' and (resseq 16:33)F16 - 33
28X-RAY DIFFRACTION28chain 'F' and (resseq 34:42)F34 - 42
29X-RAY DIFFRACTION29chain 'F' and (resseq 43:47)F43 - 47
30X-RAY DIFFRACTION30chain 'F' and (resseq 48:56)F48 - 56
31X-RAY DIFFRACTION31chain 'F' and (resseq 57:68)F57 - 68
32X-RAY DIFFRACTION32chain 'F' and (resseq 69:81)F69 - 81
33X-RAY DIFFRACTION33chain 'F' and (resseq 82:92)F82 - 92
34X-RAY DIFFRACTION34chain 'F' and (resseq 93:101)F93 - 101
35X-RAY DIFFRACTION35chain 'G' and (resseq 2:11)G2 - 11
36X-RAY DIFFRACTION36chain 'G' and (resseq 12:20)G12 - 20
37X-RAY DIFFRACTION37chain 'G' and (resseq 21:35)G21 - 35
38X-RAY DIFFRACTION38chain 'G' and (resseq 36:52)G36 - 52
39X-RAY DIFFRACTION39chain 'G' and (resseq 53:69)G53 - 69
40X-RAY DIFFRACTION40chain 'G' and (resseq 70:84)G70 - 84
41X-RAY DIFFRACTION41chain 'G' and (resseq 85:108)G85 - 108
42X-RAY DIFFRACTION42chain 'G' and (resseq 109:128)G109 - 128
43X-RAY DIFFRACTION43chain 'G' and (resseq 129:144)G129 - 144
44X-RAY DIFFRACTION44chain 'G' and (resseq 145:156)G145 - 156
45X-RAY DIFFRACTION45chain 'H' and (resseq 1:19)H1 - 19
46X-RAY DIFFRACTION46chain 'H' and (resseq 20:29)H20 - 29
47X-RAY DIFFRACTION47chain 'H' and (resseq 30:42)H30 - 42
48X-RAY DIFFRACTION48chain 'H' and (resseq 43:53)H43 - 53
49X-RAY DIFFRACTION49chain 'H' and (resseq 54:62)H54 - 62
50X-RAY DIFFRACTION50chain 'H' and (resseq 63:72)H63 - 72
51X-RAY DIFFRACTION51chain 'H' and (resseq 73:85)H73 - 85
52X-RAY DIFFRACTION52chain 'H' and (resseq 86:95)H86 - 95
53X-RAY DIFFRACTION53chain 'H' and (resseq 96:100)H96 - 100
54X-RAY DIFFRACTION54chain 'H' and (resseq 101:106)H101 - 106
55X-RAY DIFFRACTION55chain 'H' and (resseq 107:116)H107 - 116
56X-RAY DIFFRACTION56chain 'H' and (resseq 117:127)H117 - 127
57X-RAY DIFFRACTION57chain 'H' and (resseq 128:138)H128 - 138
58X-RAY DIFFRACTION58chain 'I' and (resseq 2:32)I2 - 32
59X-RAY DIFFRACTION59chain 'I' and (resseq 33:42)I33 - 42
60X-RAY DIFFRACTION60chain 'I' and (resseq 43:69)I43 - 69
61X-RAY DIFFRACTION61chain 'I' and (resseq 70:88)I70 - 88
62X-RAY DIFFRACTION62chain 'I' and (resseq 89:106)I89 - 106
63X-RAY DIFFRACTION63chain 'I' and (resseq 107:128)I107 - 128
64X-RAY DIFFRACTION64chain 'J' and (resseq 3:12)J3 - 12
65X-RAY DIFFRACTION65chain 'J' and (resseq 13:42)J13 - 42
66X-RAY DIFFRACTION66chain 'J' and (resseq 43:62)J43 - 62
67X-RAY DIFFRACTION67chain 'J' and (resseq 63:71)J63 - 71
68X-RAY DIFFRACTION68chain 'J' and (resseq 72:78)J72 - 78
69X-RAY DIFFRACTION69chain 'J' and (resseq 79:85)J79 - 85
70X-RAY DIFFRACTION70chain 'J' and (resseq 86:94)J86 - 94
71X-RAY DIFFRACTION71chain 'J' and (resseq 95:100)J95 - 100
72X-RAY DIFFRACTION72chain 'K' and (resseq 11:23)K11 - 23
73X-RAY DIFFRACTION73chain 'K' and (resseq 24:33)K24 - 33
74X-RAY DIFFRACTION74chain 'K' and (resseq 34:38)K34 - 38
75X-RAY DIFFRACTION75chain 'K' and (resseq 39:57)K39 - 57
76X-RAY DIFFRACTION76chain 'K' and (resseq 58:75)K58 - 75
77X-RAY DIFFRACTION77chain 'K' and (resseq 76:85)K76 - 85
78X-RAY DIFFRACTION78chain 'K' and (resseq 86:99)K86 - 99
79X-RAY DIFFRACTION79chain 'K' and (resseq 100:110)K100 - 110
80X-RAY DIFFRACTION80chain 'K' and (resseq 111:126)K111 - 126
81X-RAY DIFFRACTION81chain 'L' and (resseq 5:12)L5 - 12
82X-RAY DIFFRACTION82chain 'L' and (resseq 13:22)L13 - 22
83X-RAY DIFFRACTION83chain 'L' and (resseq 23:32)L23 - 32
84X-RAY DIFFRACTION84chain 'L' and (resseq 33:69)L33 - 69
85X-RAY DIFFRACTION85chain 'L' and (resseq 70:101)L70 - 101
86X-RAY DIFFRACTION86chain 'L' and (resseq 102:128)L102 - 128
87X-RAY DIFFRACTION87chain 'M' and (resseq 2:14)M2 - 14
88X-RAY DIFFRACTION88chain 'M' and (resseq 15:61)M15 - 61
89X-RAY DIFFRACTION89chain 'M' and (resseq 62:66)M62 - 66
90X-RAY DIFFRACTION90chain 'M' and (resseq 67:83)M67 - 83
91X-RAY DIFFRACTION91chain 'M' and (resseq 84:94)M84 - 94
92X-RAY DIFFRACTION92chain 'M' and (resseq 95:107)M95 - 107
93X-RAY DIFFRACTION93chain 'M' and (resseq 108:119)M108 - 119
94X-RAY DIFFRACTION94chain 'N' and (resseq 2:11)N2 - 11
95X-RAY DIFFRACTION95chain 'N' and (resseq 12:21)N12 - 21
96X-RAY DIFFRACTION96chain 'N' and (resseq 22:26)N22 - 26
97X-RAY DIFFRACTION97chain 'N' and (resseq 27:31)N27 - 31
98X-RAY DIFFRACTION98chain 'N' and (resseq 32:61)N32 - 61
99X-RAY DIFFRACTION99chain 'O' and (resseq 2:15)O2 - 15
100X-RAY DIFFRACTION100chain 'O' and (resseq 16:49)O16 - 49
101X-RAY DIFFRACTION101chain 'O' and (resseq 50:73)O50 - 73
102X-RAY DIFFRACTION102chain 'O' and (resseq 74:88)O74 - 88
103X-RAY DIFFRACTION103chain 'P' and (resseq 1:8)P1 - 8
104X-RAY DIFFRACTION104chain 'P' and (resseq 9:23)P9 - 23
105X-RAY DIFFRACTION105chain 'P' and (resseq 24:33)P24 - 33
106X-RAY DIFFRACTION106chain 'P' and (resseq 34:52)P34 - 52
107X-RAY DIFFRACTION107chain 'P' and (resseq 53:61)P53 - 61
108X-RAY DIFFRACTION108chain 'P' and (resseq 62:76)P62 - 76
109X-RAY DIFFRACTION109chain 'P' and (resseq 77:83)P77 - 83
110X-RAY DIFFRACTION110chain 'Q' and (resseq 2:17)Q2 - 17
111X-RAY DIFFRACTION111chain 'Q' and (resseq 18:45)Q18 - 45
112X-RAY DIFFRACTION112chain 'Q' and (resseq 46:61)Q46 - 61
113X-RAY DIFFRACTION113chain 'Q' and (resseq 62:81)Q62 - 81
114X-RAY DIFFRACTION114chain 'Q' and (resseq 82:100)Q82 - 100
115X-RAY DIFFRACTION115chain 'R' and (resseq 19:28)R19 - 28
116X-RAY DIFFRACTION116chain 'R' and (resseq 29:36)R29 - 36
117X-RAY DIFFRACTION117chain 'R' and (resseq 37:43)R37 - 43
118X-RAY DIFFRACTION118chain 'R' and (resseq 44:59)R44 - 59
119X-RAY DIFFRACTION119chain 'R' and (resseq 60:76)R60 - 76
120X-RAY DIFFRACTION120chain 'R' and (resseq 77:88)R77 - 88
121X-RAY DIFFRACTION121chain 'S' and (resseq 2:12)S2 - 12
122X-RAY DIFFRACTION122chain 'S' and (resseq 13:25)S13 - 25
123X-RAY DIFFRACTION123chain 'S' and (resseq 26:30)S26 - 30
124X-RAY DIFFRACTION124chain 'S' and (resseq 31:40)S31 - 40
125X-RAY DIFFRACTION125chain 'S' and (resseq 41:52)S41 - 52
126X-RAY DIFFRACTION126chain 'S' and (resseq 53:61)S53 - 61
127X-RAY DIFFRACTION127chain 'S' and (resseq 62:70)S62 - 70
128X-RAY DIFFRACTION128chain 'S' and (resseq 71:81)S71 - 81
129X-RAY DIFFRACTION129chain 'T' and (resseq 8:68)T8 - 68
130X-RAY DIFFRACTION130chain 'T' and (resseq 69:106)T69 - 106
131X-RAY DIFFRACTION131chain 'U' and (resseq 2:8)U2 - 8
132X-RAY DIFFRACTION132chain 'U' and (resseq 9:25)U9 - 25

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