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- PDB-4dr5: Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal... -

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Basic information

Entry
Database: PDB / ID: 4dr5
TitleCrystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with codon, crystallographically disordered cognate transfer RNA anticodon stem-loop and streptomycin bound
Components
  • (30S ribosomal protein ...) x 20
  • 16S rRNA
  • 5'-R(*GP*GP*GP*AP*UP*UP*GP*AP*AP*AP*AP*UP*CP*CP*C)-3'
  • 5'-R(*UP*UP*U)-3'
KeywordsRIBOSOME/ANTIBIOTIC / decoding / Streptomycin / RNA structure / antibiotic resistance / RIBOSOME-ANTIBIOTIC complex
Function / homology
Function and homology information


small ribosomal subunit / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / ribonucleoprotein complex / translation / mRNA binding / zinc ion binding / metal ion binding / cytoplasm
Similarity search - Function
Ribosomal protein S4/S9, N-terminal domain / Ribosomal Protein S4 Delta 41; Chain A, domain 1 / S16 Ribosomal Protein; Chain: A; / Ribosomal protein S16 / Ribosomal protein S18 / 30s Ribosomal Protein S18 / 30s ribosomal protein s13; domain 2 / Ribosomal protein S13/S18, C-terminal domain / Ribosomal protein S20 / 30s Ribosomal Protein S19; Chain A ...Ribosomal protein S4/S9, N-terminal domain / Ribosomal Protein S4 Delta 41; Chain A, domain 1 / S16 Ribosomal Protein; Chain: A; / Ribosomal protein S16 / Ribosomal protein S18 / 30s Ribosomal Protein S18 / 30s ribosomal protein s13; domain 2 / Ribosomal protein S13/S18, C-terminal domain / Ribosomal protein S20 / 30s Ribosomal Protein S19; Chain A / Ribosomal protein S19/S15 / Ribosomal protein S3, C-terminal domain / Ribosomal Protein S14/S29 / 30s Ribosomal Protein S14; Chain N / Ribosomal Protein S8; Chain: A, domain 1 - #30 / RNA-binding S4 domain / Ribosomal Protein S7 / Ribosomal protein S7/S5 / Ribosomal protein S6/Translation elongation factor EF1B / Ribosomal protein S3 C-terminal domain / Helix hairpin bin / Dna Ligase; domain 1 - #10 / Ribosomal protein S11/S14 / Ribosomal protein S10 / Structural Genomics Hypothetical 15.5 Kd Protein In mrcA-pckA Intergenic Region; Chain A / S15/NS1, RNA-binding / K homology (KH) domain / Double Stranded RNA Binding Domain - #20 / Helicase, Ruva Protein; domain 3 - #50 / Glucose-6-phosphate isomerase like protein; domain 1 / Ribosomal Protein S8; Chain: A, domain 1 / Ribosomal Protein S5; domain 2 - #10 / 30S ribosomal protein Thx / 30S ribosomal protein Thx / 30S ribosomal protein / GMP Synthetase; Chain A, domain 3 / Ribosomal Protein S5; domain 2 / Double Stranded RNA Binding Domain / Ribosomal protein S14, type Z / Helicase, Ruva Protein; domain 3 / Nucleic acid-binding proteins / Dna Ligase; domain 1 / Methane Monooxygenase Hydroxylase; Chain G, domain 1 / Ribosomal protein S14/S29 / Ribosomal protein S3, bacterial-type / Ribosomal protein S6, conserved site / Ribosomal protein S6 signature. / Ribosomal protein S19, bacterial-type / Ribosomal protein S7, bacterial/organellar-type / Ribosomal protein S11, bacterial-type / Ribosomal protein S13, bacterial-type / Ribosomal protein S20 / Ribosomal protein S20 superfamily / Ribosomal protein S20 / Ribosomal protein S9, bacterial/plastid / Ribosomal protein S4, bacterial-type / 30S ribosomal protein S17 / Ribosomal protein S5, bacterial-type / Ribosomal protein S6, plastid/chloroplast / Ribosomal protein S2, bacteria/mitochondria/plastid / Ribosomal protein S18, conserved site / Ribosomal protein S18 signature. / Ribosomal protein S16 / Ribosomal protein S16 / Ribosomal protein S16 domain superfamily / Ribosomal protein S15, bacterial-type / Ribosomal protein S6 / Ribosomal protein S6 / Ribosomal protein S6 superfamily / Ribosomal protein S12, bacterial-type / Translation elongation factor EF1B/ribosomal protein S6 / Ribosomal protein S18 / Ribosomal protein S18 / Ribosomal protein S18 superfamily / K Homology domain / K homology RNA-binding domain / Ribosomal protein S3, conserved site / Ribosomal protein S14, conserved site / Ribosomal protein S10, conserved site / : / K Homology domain, type 2 / Ribosomal protein S3, C-terminal / Ribosomal protein S3, C-terminal domain superfamily / Ribosomal protein S15/S19, conserved site / KH domain / Ribosomal protein S19/S15 / Ribosomal protein S19/S15, superfamily / Ribosomal protein S10 / Ribosomal protein S3, C-terminal domain / Few Secondary Structures / Irregular / Ribosomal protein S3 signature. / Ribosomal protein S10 signature. / Ribosomal protein S14 signature. / Ribosomal protein S7, conserved site / Ribosomal protein S17, conserved site / K homology domain superfamily, prokaryotic type / Ribosomal protein S19 / Ribosomal protein S2 signature 1. / Ribosomal protein S13, conserved site
Similarity search - Domain/homology
STREPTOMYCIN / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS8 ...STREPTOMYCIN / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS7 / Small ribosomal subunit protein uS2 / Small ribosomal subunit protein uS3 / Small ribosomal subunit protein uS4 / Small ribosomal subunit protein uS9 / Small ribosomal subunit protein uS11 / Small ribosomal subunit protein uS13 / Small ribosomal subunit protein bS20 / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS10 / Small ribosomal subunit protein uS19 / 30S ribosomal protein S17 / 30S ribosomal protein S14 type Z / 30S ribosomal protein S8 / Small ribosomal subunit protein uS5 / Small ribosomal subunit protein bTHX / Small ribosomal subunit protein uS15 / Small ribosomal subunit protein bS16 / Small ribosomal subunit protein bS6 / Small ribosomal subunit protein bS18
Similarity search - Component
Biological speciesThermus thermophilus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 3.45 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

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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
V: 5'-R(*UP*UP*U)-3'
W: 5'-R(*GP*GP*GP*AP*UP*UP*GP*AP*AP*AP*AP*UP*CP*CP*C)-3'
hetero molecules


Theoretical massNumber of molelcules
Total (without water)796,948298
Polymers789,62523
Non-polymers7,323275
Water10,485582
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)400.510, 400.510, 175.410
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 , 3 types, 3 molecules AVW

#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
#22: RNA chain 5'-R(*UP*UP*U)-3'


Mass: 873.540 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: mRNA / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8
#23: RNA chain 5'-R(*GP*GP*GP*AP*UP*UP*GP*AP*AP*AP*AP*UP*CP*CP*C)-3'


Mass: 4815.937 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: ASL (Phenylalanine) / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8

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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 / Ribosome


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, 857 molecules

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


Mass: 24.305 Da / Num. of mol.: 272 / Source method: obtained synthetically / Formula: Mg
#25: Chemical ChemComp-SRY / STREPTOMYCIN / STREPTOMYCIN A / Streptomycin


Mass: 581.574 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C21H39N7O12 / Comment: medication, antibiotic*YM
#26: Chemical ChemComp-ZN / ZINC ION


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


Mass: 18.015 Da / Num. of mol.: 582 / Source method: isolated from a natural source / Formula: H2O

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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: 4.45 Å3/Da / Density % sol: 72.39 %
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: NSLS / Beamline: X25 / Wavelength: 1.1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 28, 2011
RadiationMonochromator: double crystal Si(111) monochromator with cryogenically-cooled first crystal and sagittally-bent second crystal horizontally-focusing at 3.3:1 demagnification
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.1 Å / Relative weight: 1
ReflectionResolution: 3.45→50 Å / Num. all: 184810 / Num. obs: 184810 / % possible obs: 99.4 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Biso Wilson estimate: 92.556 Å2 / Rmerge(I) obs: 0.123 / Net I/σ(I): 16.32
Reflection shell
Resolution (Å)Rmerge(I) obsMean I/σ(I) obsNum. measured obsNum. unique obsDiffraction-ID% possible all
3.45-3.540.0112.3152422135961100
3.54-3.640.0113.09155673132791100
3.64-3.740.0114.08149594129311100
3.74-3.860.0115.26138990125111100
3.86-3.980.0116.9141469122011100
3.98-4.120.0118.53136224117701100
4.12-4.280.01110.67126582113961100
4.28-4.450.01113.49127761109481100
4.45-4.650.01116.35121459105351100
4.65-4.880.01118.23111360100931100
4.88-5.140.01121.611154295921100
5.14-5.450.01123.5610184190691100
5.45-5.830.01126.579779785841100
5.83-6.30.01127.99141880071100
6.3-6.90.01130.598130073681100
6.9-7.710.01135.697427867071100
7.71-8.910.01138.826485759511100
8.91-10.910.01141.765366150761100
10.91-15.430.01144.984189039921100
15.43-500.01146.04124031204151.6

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Processing

Software
NameVersionClassificationNB
XSCALEdata scaling
PHENIXdev_978refinement
PDB_EXTRACT3.1data extraction
HKL-2000data collection
XDSdata reduction
PHENIXdev_978phasing
RefinementMethod to determine structure: FOURIER SYNTHESIS / Resolution: 3.45→19.902 Å / Occupancy max: 1 / Occupancy min: 0.25 / FOM work R set: 0.8902 / SU ML: 0.33 / σ(F): 1.99 / Phase error: 17.85 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.1918 9323 5.05 %FROM PDB ENTRY 2VQE
Rwork0.152 ---
obs0.154 184776 99.97 %-
all-184776 --
Solvent computationShrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 82.177 Å2 / ksol: 0.29 e/Å3
Displacement parametersBiso max: 401.72 Å2 / Biso mean: 117.5366 Å2 / Biso min: 37.76 Å2
Baniso -1Baniso -2Baniso -3
1--6.3424 Å2-0 Å20 Å2
2---6.3424 Å20 Å2
3---8.715 Å2
Refinement stepCycle: LAST / Resolution: 3.45→19.902 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19152 32880 314 582 52928
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00557043
X-RAY DIFFRACTIONf_angle_d0.86984929
X-RAY DIFFRACTIONf_chiral_restr0.06110524
X-RAY DIFFRACTIONf_plane_restr0.0054927
X-RAY DIFFRACTIONf_dihedral_angle_d17.826351
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 (%)
3.45-3.4890.30293480.251157346082100
3.489-3.52980.28022840.240958206104100
3.5298-3.57270.27423310.221657636094100
3.5727-3.61760.25793320.208657766108100
3.6176-3.66490.25293070.200157856092100
3.6649-3.71480.24272920.191357956087100
3.7148-3.76750.22863090.181758046113100
3.7675-3.82340.24833270.178557916118100
3.8234-3.88270.1943370.166157776114100
3.8827-3.94590.20412710.160458266097100
3.9459-4.01340.17863010.154358276128100
4.0134-4.08570.18253010.144558376138100
4.0857-4.16360.21412960.148158296125100
4.1636-4.24780.16963260.147757706096100
4.2478-4.33920.20742920.143958216113100
4.3392-4.43910.19353190.147158416160100
4.4391-4.54880.18792700.141658606130100
4.5488-4.67030.18983060.134258376143100
4.6703-4.80580.18023010.130758516152100
4.8058-4.95860.1582820.12658666148100
4.9586-5.13290.16983090.125758456154100
5.1329-5.33470.15783230.127658756198100
5.3347-5.57240.17092970.123858636160100
5.5724-5.8590.15343110.119958886199100
5.859-6.21560.1563380.125258516189100
6.2156-6.67860.1862950.136659256220100
6.6786-7.32020.18433040.132559486252100
7.3202-8.31120.17833200.140959526272100
8.3112-10.22890.18613460.158359856331100
10.2289-19.90180.2023480.18636111645999
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)
10.5160.1908-0.19410.5241-0.10210.46820.0012-0.00810.01890.20260.11320.10880.15260.0858-0.11410.63670.16950.03550.5863-0.07440.7656143.617383.5003-12.0518
21.4212-0.33670.05560.5779-0.02780.3777-0.0137-0.72740.41730.35530.0477-0.0711-0.13930.1256-0.02130.8492-0.21060.11281.5-0.58030.9504222.4225129.20989.5628
31.82510.5395-0.75350.458-0.39050.4089-0.2088-0.0523-0.5772-0.03260.2513-0.6340.23830.2219-0.04530.81120.1854-0.05360.9175-0.12970.8593166.351971.796-25.4761
42.1475-0.29631.86546.6312.10314.03280.1934-0.05460.8879-1.4107-0.03380.431-1.0015-0.2772-0.17441.35300.45130.73740.06491.8372152.1756156.0644-30.2701
52.0043-1.50042.67637.0976-2.06483.56240.14910.260.8375-0.31730.0742-0.6525-0.88080.6622-0.26431.0767-0.22440.57610.9617-0.35751.9012167.4131159.2084-15.45
68.96222.13220.79915.7431-1.06573.3408-0.1452-0.32770.94610.56090.7985-1.3086-0.77231.4315-0.47581.349-0.34190.32681.7217-0.79391.6792185.6209159.9564-3.2859
72.3031-0.412.09554.4512-0.7583.9603-0.0827-0.04980.611-0.2730.09810.0795-0.9643-0.1311-0.00981.1298-0.03860.47090.6618-0.23311.6669160.6603158.4506-18.8746
80.4459-0.4844-0.46420.81520.42811.06170.0098-0.44410.50140.41030.07180.077-0.3471-0.1418-0.02391.3378-0.11380.19892.4288-1.15920.9373205.196141.848633.5014
93.9278-2.0948-2.15144.6459-0.01294.0203-0.4382-0.3882-0.35780.62510.07770.91930.2909-0.46060.30130.6683-0.0040.33922.1509-0.86811.2716184.8686132.164622.4133
101.265-0.1313-1.16520.90460.09712.43150.0328-0.6480.35750.15760.0359-0.08170.0785-0.14430.05950.7529-0.11140.40912.0219-0.94251.1052192.8416133.580215.6482
112.5033-2.18641.24713.60412.71379.1970.214-0.1298-0.57440.2362-0.01230.58310.6428-0.7709-0.03131.9922-0.5022-0.3611.3188-0.12031.425156.0143105.505434.4801
122.0419-0.34714.19780.0671-0.73198.62390.1131-0.66660.06430.4696-0.06880.33-0.19350.3148-0.04532.32460.42920.29371.7076-0.32121.3373153.1701115.050340.1045
137.6526-0.2675.7085.3658-0.4614.29510.1639-0.73230.76151.359-0.2571-0.3273-0.920.18240.02961.5060.02610.09661.3639-0.33790.9938167.1543115.205928.9408
147.39420.6772-0.49251.2311-1.33761.5097-0.14920.3138-0.79060.0658-0.01850.31960.05310.09670.16791.01980.16940.08640.5842-0.26850.6885144.2315107.558821.2686
153.5328-0.97861.67445.0535-1.3795.55490.2857-0.32740.2040.85480.09130.06090.0466-0.3575-0.34761.3059-0.0040.32060.8157-0.09190.7285134.3996102.682737.8576
164.33553.89-0.82489.6293-0.78434.83430.4696-2.00630.6522.159-0.56250.9134-0.4242-0.72370.1411.7969-0.19390.29561.7345-0.39930.9373134.4235104.919251.8747
172.96910.03952.69335.40740.31094.51040.0409-0.56380.26690.65060.11410.2263-0.79740.0447-0.12611.55190.03870.45721.0215-0.40931.168131.0703115.546443.3153
189.68611.7149-7.34064.7473-2.07728.04380.70030.22871.35230.27820.08010.1683-1.246-0.4405-0.75710.97350.19030.06890.6065-0.09920.9016139.9472114.122623.6816
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1040.6581-0.28150.4881.9560.86130.9840.03760.3677-1.28370.59030.4579-1.85150.07311.4011-0.47612.1860.45660.20912.159-0.09722.4972251.698888.854540.5526
1050.20010.5819-0.29041.9224-0.92080.6932-0.0742-0.3772-0.59390.18270.1182-0.1765-0.25230.1135-0.12071.0022-0.1225-0.11252.7154-0.28651.08249.019100.652433.0416
1064.45320.20934.16141.73160.32163.9133-0.5019-0.6995-0.17850.59930.2995-0.07890.18930.05090.19661.5061-0.07340.05661.9767-0.00010.9823245.515996.788424.6706
1076.16110.54446.75721.22510.58677.3333-0.11620.40950.18780.1380.07170.15350.49360.6-0.09041.05020.0130.17030.45490.1250.9784113.212441.8853-14.1968
1083.80010.35912.15672.11951.5827.78190.1845-0.7667-0.82240.3472-0.12610.83481.4093-0.4485-0.0231.0386-0.02260.08370.66190.35611.06398.15543.2466-27.7406
1090.0289-0.02-0.0280.01330.01470.04860.0321-0.4747-0.07350.4980.20010.75310.2423-0.4204-0.22110.8029-0.0639-0.13740.8680.17620.8716106.825252.6057-14.7287
1104.83130.24613.47814.27972.54483.8513-0.20060.11180.288-0.3478-0.54770.2563-0.04110.59160.5380.8661-0.19480.08150.88220.32751.066298.902350.7206-33.8348
1114.6653-2.395.67995.10810.16489.34810.13410.1799-0.14420.56240.2658-0.11230.33710.3921-0.31770.84950.02980.13781.5353-0.49571.4591251.2011124.53442.3085
1127.3054-2.1531-2.13285.6247-3.31483.8522-0.1238-0.80961.08930.50870.3671-0.5-0.97470.9131-0.19211.162-0.2059-0.04891.5224-0.57561.259250.9313131.53597.4018
1130.0697-0.13840.12740.277-0.25420.234-0.0955-0.0645-0.45730.09240.1279-0.20540.30960.5423-0.07051.9713-0.9804-0.35872.9976-0.85842.2708194.385198.4281-3.0891
1142.0060.15851.56694.07191.05022.7478-0.04360.6279-0.40710.1708-1.1784-0.19041.04591.02471.08872.12260.2635-0.14313.0834-0.59082.5933205.8192.62666.435
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 121:129)K121 - 129
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 98:101)Q98 - 101
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
113X-RAY DIFFRACTION113chain 'V' and (resseq 1:3)V1 - 3
114X-RAY DIFFRACTION114chain 'W' and (resseq 28:42)W28 - 42

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