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- PDB-4dr3: Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal... -

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Basic information

Entry
Database: PDB / ID: 4dr3
TitleCrystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with streptomycin 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 / ribosome / structural constituent of ribosome / ribonucleoprotein complex ...ribosomal small subunit biogenesis / ribosomal small subunit assembly / small ribosomal subunit / small ribosomal subunit rRNA binding / cytosolic small ribosomal subunit / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / ribonucleoprotein complex / translation / mRNA binding / zinc ion binding / metal ion binding / cytoplasm / cytosol
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 / Few Secondary Structures / Irregular / 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. / 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 S19/S15 / Ribosomal protein S19/S15, superfamily / Ribosomal protein S19 / Ribosomal protein S2, conserved site / Ribosomal protein S5, N-terminal, 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: 3.348 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
hetero molecules


Theoretical massNumber of molelcules
Total (without water)791,065288
Polymers783,93621
Non-polymers7,129267
Water4,738263
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)404.041, 404.041, 173.527
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, 530 molecules

#22: Chemical ChemComp-SRY / STREPTOMYCIN / STREPTOMYCIN A


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


Mass: 24.305 Da / Num. of mol.: 264 / 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.: 263 / 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: 4.52 Å3/Da / Density % sol: 72.77 %
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, 2011
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: 3.3 % / Av σ(I) over netI: 15.52 / Number: 666812 / Rmerge(I) obs: 0.062 / Χ2: 1.05 / D res high: 3.35 Å / D res low: 35 Å / Num. obs: 200934 / % possible obs: 98.3
Diffraction reflection shell
Highest resolution (Å)Lowest resolution (Å)% possible obs (%)IDRmerge(I) obsChi squaredRedundancy
7.23592.210.0290.9063.3
5.727.297.710.0430.9563.3
55.7298.810.0490.9733.3
4.54599.210.0611.0143.3
4.224.5499.410.0841.0463.3
3.974.2299.410.1221.1483.3
3.773.9799.410.1811.1583.3
3.613.7799.210.2891.123.3
3.473.6199.310.4341.0913.3
3.353.479910.6341.0733.3
ReflectionResolution: 3.348→35 Å / Num. all: 200934 / Num. obs: 200934 / % possible obs: 98.3 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 3.3 % / Rmerge(I) obs: 0.062 / Χ2: 1.049 / Net I/σ(I): 14.8
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
3.348-3.473.30.634199941.073199
3.47-3.613.30.434201071.091199.3
3.61-3.773.30.289200841.12199.2
3.77-3.973.30.181201341.158199.4
3.97-4.223.30.122201821.148199.4
4.22-4.543.30.084202441.046199.4
4.54-53.30.061202251.014199.2
5-5.723.30.049202330.973198.8
5.72-7.23.30.043201760.956197.7
7.2-353.30.029195550.906192.2

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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: 3.348→34.552 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.8634 / SU ML: 0.31 / σ(F): 1.34 / Phase error: 20.57 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2063 10115 5.04 %FROM PDB ENTRY 2VQE
Rwork0.1676 ---
obs0.1695 200881 98.32 %-
all-200881 --
Solvent computationShrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 97.47 Å2 / ksol: 0.27 e/Å3
Displacement parametersBiso max: 484.81 Å2 / Biso mean: 147.1691 Å2 / Biso min: 2.41 Å2
Baniso -1Baniso -2Baniso -3
1--8.699 Å2-0 Å20 Å2
2---8.699 Å20 Å2
3---17.398 Å2
Refinement stepCycle: LAST / Resolution: 3.348→34.552 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19088 32507 306 263 52164
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00656088
X-RAY DIFFRACTIONf_angle_d0.96483155
X-RAY DIFFRACTIONf_chiral_restr0.06810400
X-RAY DIFFRACTIONf_plane_restr0.0054882
X-RAY DIFFRACTIONf_dihedral_angle_d17.90226010
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 (%)
3.348-3.38640.34523300.28996238656898
3.3864-3.42620.353600.28666294665499
3.4262-3.46790.30223400.26926342668299
3.4679-3.51180.30283710.256963526723100
3.5118-3.5580.27953370.24426334667199
3.558-3.60660.26663530.23046342669599
3.6066-3.65810.25323430.21886363670699
3.6581-3.71270.26053500.21136341669199
3.7127-3.77060.22873630.19716340670399
3.7706-3.83230.24122920.195364456737100
3.8323-3.89830.21143380.18326370670899
3.8983-3.96910.21063370.17286359669699
3.9691-4.04540.21023480.16896362671099
4.0454-4.12780.2163690.176386675599
4.1278-4.21740.19723210.154764086729100
4.2174-4.31530.2233280.15516423675199
4.3153-4.4230.1953460.15686387673399
4.423-4.54240.18683690.14956395676499
4.5424-4.67570.18833260.14486445677199
4.6757-4.82630.16333020.13796402670499
4.8263-4.99830.1743530.1296406675999
4.9983-5.19780.18263160.13356444676099
5.1978-5.43340.18533230.13466442676599
5.4334-5.71870.17273410.13256380672199
5.7187-6.07520.18713260.14156405673198
6.0752-6.54130.1813070.1486411671898
6.5413-7.19430.19433410.14416398673997
7.1943-8.2230.19853150.14516347666296
8.223-10.31420.18573590.1636260661994
10.3142-34.55370.21453110.20395945625686
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)
10.61490.0419-0.17220.8223-0.04570.5431-0.0072-0.0418-0.1690.25240.08070.210.24650.0476-0.07870.74520.11910.06960.6429-0.00090.9503143.716683.4323-12.6019
23.4582-0.56920.29560.39710.12310.476-0.0356-1.68870.68440.37290.2417-0.3886-0.03410.2225-0.21331.1343-0.15540.00092.1865-0.74941.7917223.2558128.68339.9243
31.50740.4439-0.70720.2816-0.42650.4687-0.2031-0.0952-0.6557-0.12060.2275-0.52420.2450.1627-0.02851.10440.1958-0.01081.0797-0.03411.4797165.799370.8095-25.5346
42.22451.66390.19842.0279-1.06912.0998-0.60660.27-0.1046-0.75060.4474-1.0178-0.49360.48530.10391.6071-0.1520.22690.89060.09021.5636157.2038158.1163-34.1141
53.23550.29632.9476.68823.57334.44250.1306-0.19690.5555-0.5762-0.49710.65130.0754-0.7440.38581.1605-0.10090.44720.85210.08031.769151.1454156.2829-27.1537
64.59380.6759-1.48147.6861-0.29479.6879-0.03990.3650.4761-0.5788-0.4319-1.2906-0.54921.26080.43651.1397-0.09410.34751.1391-0.02381.5426167.9111162.3697-18.4805
74.87611.00091.55854.9988-1.41383.98250.1632-0.55760.6375-0.08560.5623-0.576-0.82930.7336-0.79690.869-0.07660.42951.0075-0.52261.7001174.8399157.0264-6.4767
82.8717-2.4511-2.55226.4251-0.38113.80.4536-0.42140.94860.92061.253-2.4991-0.29661.7228-1.5811.6004-0.42530.24242.0021-0.80562.298191.0335161.8976-3.9734
93.1587-0.12511.48483.4935-1.38283.4367-0.08980.03190.0348-0.84330.5059-0.6753-0.60840.3381-0.41281.2197-0.07470.550.7034-0.181.821161.1198156.2876-18.0328
105.4177-0.0771-6.10910.3852-0.04688.7817-0.31980.09331.01250.2320.41090.2711-0.8434-0.0937-0.10063.268-0.16840.51431.0765-0.00053.1138164.3653174.6255-22.5089
110.0139-0.08490.08240.1444-0.16470.2386-0.1398-1.18770.57540.33770.08230.1411-0.3116-0.2970.11571.6091-0.0249-0.084.3024-1.18371.6949205.512139.170734.7038
122.70880.12790.59246.1346-1.52571.9495-0.3873-1.38880.21050.82130.9161-0.35640.127-0.5914-0.47050.93790.02720.15642.6645-0.61811.2559190.5602130.785318.4628
133.2663-2.5418-0.98092.6079-0.82534.2837-0.1495-0.2362-0.43060.81540.29570.1148-0.1522-0.4377-0.17522.23630.101-0.09751.4439-0.12411.3617153.235111.370437.6581
147.53541.07761.7633.79-1.89981.98070.3724-1.37240.99250.3655-0.3062-0.6064-0.84040.4195-0.10561.55660.1676-0.00831.2857-0.31410.975159.8963113.0625.6437
153.68550.34260.82744.2968-1.6816.25050.3998-0.3301-0.09720.7417-0.14940.55130.5064-0.0837-0.28911.3910.08580.31880.7422-0.00630.9432135.3447103.936730.7264
161.5911-1.62841.4195.4704-3.44265.8406-0.2986-1.72440.33892.59930.58580.6507-0.647-0.6972-0.37562.16110.23380.47911.7246-0.01850.9993131.1131110.355947.1858
179.7804-0.2034-3.97824.95340.28795.67650.82740.45551.24940.252-0.2989-0.0516-1.8873-0.6569-0.49411.31710.16820.01130.75220.05410.724139.1171114.009323.0535
188.4976-7.1336-5.63719.0814.87373.74740.3845-0.88950.60641.19720.0172-0.41650.16750.0939-0.39950.91340.0297-0.10341.5616-0.420.8729162.1473126.38388.3554
193.64961.0257-5.68738.50250.01819.19540.11390.1664-0.31190.0780.0447-0.4224-0.3814-0.0984-0.13670.7954-0.0604-0.00311.5547-0.28411.1655184.2446121.4835-1.9569
209.6571-3.7582-3.18063.68230.22953.9616-0.2953-0.39190.41830.39830.2399-0.0144-0.58870.29490.10450.8935-0.23570.13421.086-0.49511.047162.2422129.155.0202
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1054.3789-0.24220.92743.28721.10565.2736-0.2983-0.02360.5138-0.33450.1043-0.8935-0.14040.71240.03621.24190.16180.3081.41960.32091.6278193.5976126.1331-71.1173
1061.7592.0611-1.56623.1993-3.65377.6378-0.1630.573-0.4875-1.26530.15011.02041.6707-2.0072-0.08592.02280.6518-1.04722.9795-1.16152.3626252.9836112.657727.8979
1070.286-0.1103-0.17620.67120.550.4785-0.5624-0.70060.59020.5666-0.10490.0122-0.2107-0.30580.5752.76961.1485-1.00413.9579-0.31381.7203252.924898.290741.7179
1084.92594.2782-2.28035.58940.20174.150.1162-0.114-0.90880.12630.06940.05660.3720.0168-0.2951.65180.1686-0.34443.28420.58462.1132247.944192.125236.5662
1091.0825-1.9816-1.50093.62912.74112.179-0.4708-2.01251.40761.0886-0.3937-0.8474-0.6330.56560.73091.4445-0.4662-0.61093.72690.23232.7932248.1202103.710228.8064
1100.78310.0493-0.56921.8491-0.25680.4932-0.23720.19190.42960.32290.0244-0.57080.1420.36590.18161.52720.3779-0.19353.50750.51122.5204251.4295.122228.1854
1116.2882-0.78993.48241.8029-2.76485.11460.1324-1.1107-0.2939-0.3004-0.361-0.9020.50160.9560.17861.67760.6447-0.22062.57240.17562.4305243.201995.658817.098
1122.4807-0.64343.19631.3851-0.18627.89470.3793-0.08380.0192-0.18440.23230.61450.6031-0.2913-0.66691.1291-0.17780.25610.61080.2861.4849108.489741.5877-20.4376
1133.1901-1.48521.80750.792-0.79081.36540.3269-0.43860.94121.39420.28141.52-0.7223-0.8783-0.57161.32120.05450.42311.37220.26281.7562105.990151.5079-15.3929
1141.7031.28463.89781.06012.89748.9332-0.48190.6440.3315-0.08170.2274-0.0564-0.55030.61280.18291.0051-0.32530.07591.12990.65512.2267103.869151.9012-32.0452
1156.3416-4.1886-0.9643.13471.51122.2238-0.3827-0.0136-0.1893-0.118-0.89290.55360.6608-0.0911.12251.5593-0.33590.08161.42420.34311.753593.466647.4294-40.3453
1167.3634-2.26391.43814.11452.39462.6320.1213-0.3521-0.60460.4088-0.56470.64660.14030.06150.37441.3905-0.43440.02552.0247-0.44942.4982252.384124.86793.0939
1175.3575-2.44321.95221.3964-0.30242.0055-0.018-0.1460.296-0.34440.0272-0.136-0.24480.25920.02441.654-0.0035-0.25321.4885-0.58561.9851249.0379129.67084.9911
1186.08321.05270.65872.11141.62334.6768-0.59580.08980.4584-0.08080.1455-0.0756-0.59280.28720.25672.2352-0.9603-0.13142.8645-1.17762.1916254.5791132.84111.498
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 26:64)B26 - 64
6X-RAY DIFFRACTION6chain 'B' and (resseq 65:86)B65 - 86
7X-RAY DIFFRACTION7chain 'B' and (resseq 87:122)B87 - 122
8X-RAY DIFFRACTION8chain 'B' and (resseq 123:148)B123 - 148
9X-RAY DIFFRACTION9chain 'B' and (resseq 149:226)B149 - 226
10X-RAY DIFFRACTION10chain 'B' and (resseq 227:240)B227 - 240
11X-RAY DIFFRACTION11chain 'C' and (resseq 2:112)C2 - 112
12X-RAY DIFFRACTION12chain 'C' and (resseq 113:207)C113 - 207
13X-RAY DIFFRACTION13chain 'D' and (resseq 2:34)D2 - 34
14X-RAY DIFFRACTION14chain 'D' and (resseq 35:67)D35 - 67
15X-RAY DIFFRACTION15chain 'D' and (resseq 68:148)D68 - 148
16X-RAY DIFFRACTION16chain 'D' and (resseq 149:181)D149 - 181
17X-RAY DIFFRACTION17chain 'D' and (resseq 182:209)D182 - 209
18X-RAY DIFFRACTION18chain 'E' and (resseq 5:14)E5 - 14
19X-RAY DIFFRACTION19chain 'E' and (resseq 15:27)E15 - 27
20X-RAY DIFFRACTION20chain 'E' and (resseq 28:50)E28 - 50
21X-RAY DIFFRACTION21chain 'E' and (resseq 51:63)E51 - 63
22X-RAY DIFFRACTION22chain 'E' and (resseq 64:79)E64 - 79
23X-RAY DIFFRACTION23chain 'E' and (resseq 80:86)E80 - 86
24X-RAY DIFFRACTION24chain 'E' and (resseq 87:103)E87 - 103
25X-RAY DIFFRACTION25chain 'E' and (resseq 104:140)E104 - 140
26X-RAY DIFFRACTION26chain 'E' and (resseq 141:154)E141 - 154
27X-RAY DIFFRACTION27chain 'F' and (resseq 1:32)F1 - 32
28X-RAY DIFFRACTION28chain 'F' and (resseq 33:92)F33 - 92
29X-RAY DIFFRACTION29chain 'F' and (resseq 93:101)F93 - 101
30X-RAY DIFFRACTION30chain 'G' and (resseq 2:11)G2 - 11
31X-RAY DIFFRACTION31chain 'G' and (resseq 12:20)G12 - 20
32X-RAY DIFFRACTION32chain 'G' and (resseq 21:52)G21 - 52
33X-RAY DIFFRACTION33chain 'G' and (resseq 53:57)G53 - 57
34X-RAY DIFFRACTION34chain 'G' and (resseq 58:79)G58 - 79
35X-RAY DIFFRACTION35chain 'G' and (resseq 80:92)G80 - 92
36X-RAY DIFFRACTION36chain 'G' and (resseq 93:109)G93 - 109
37X-RAY DIFFRACTION37chain 'G' and (resseq 110:129)G110 - 129
38X-RAY DIFFRACTION38chain 'G' and (resseq 130:144)G130 - 144
39X-RAY DIFFRACTION39chain 'G' and (resseq 145:156)G145 - 156
40X-RAY DIFFRACTION40chain 'H' and (resseq 1:18)H1 - 18
41X-RAY DIFFRACTION41chain 'H' and (resseq 19:29)H19 - 29
42X-RAY DIFFRACTION42chain 'H' and (resseq 30:41)H30 - 41
43X-RAY DIFFRACTION43chain 'H' and (resseq 42:53)H42 - 53
44X-RAY DIFFRACTION44chain 'H' and (resseq 54:62)H54 - 62
45X-RAY DIFFRACTION45chain 'H' and (resseq 63:72)H63 - 72
46X-RAY DIFFRACTION46chain 'H' and (resseq 73:85)H73 - 85
47X-RAY DIFFRACTION47chain 'H' and (resseq 86:95)H86 - 95
48X-RAY DIFFRACTION48chain 'H' and (resseq 96:100)H96 - 100
49X-RAY DIFFRACTION49chain 'H' and (resseq 101:106)H101 - 106
50X-RAY DIFFRACTION50chain 'H' and (resseq 107:116)H107 - 116
51X-RAY DIFFRACTION51chain 'H' and (resseq 117:127)H117 - 127
52X-RAY DIFFRACTION52chain 'H' and (resseq 128:138)H128 - 138
53X-RAY DIFFRACTION53chain 'I' and (resseq 2:25)I2 - 25
54X-RAY DIFFRACTION54chain 'I' and (resseq 26:32)I26 - 32
55X-RAY DIFFRACTION55chain 'I' and (resseq 33:53)I33 - 53
56X-RAY DIFFRACTION56chain 'I' and (resseq 54:88)I54 - 88
57X-RAY DIFFRACTION57chain 'I' and (resseq 89:97)I89 - 97
58X-RAY DIFFRACTION58chain 'I' and (resseq 98:117)I98 - 117
59X-RAY DIFFRACTION59chain 'I' and (resseq 118:128)I118 - 128
60X-RAY DIFFRACTION60chain 'J' and (resseq 3:29)J3 - 29
61X-RAY DIFFRACTION61chain 'J' and (resseq 30:42)J30 - 42
62X-RAY DIFFRACTION62chain 'J' and (resseq 43:47)J43 - 47
63X-RAY DIFFRACTION63chain 'J' and (resseq 48:70)J48 - 70
64X-RAY DIFFRACTION64chain 'J' and (resseq 71:78)J71 - 78
65X-RAY DIFFRACTION65chain 'J' and (resseq 79:85)J79 - 85
66X-RAY DIFFRACTION66chain 'J' and (resseq 86:93)J86 - 93
67X-RAY DIFFRACTION67chain 'J' and (resseq 94:100)J94 - 100
68X-RAY DIFFRACTION68chain 'K' and (resseq 11:34)K11 - 34
69X-RAY DIFFRACTION69chain 'K' and (resseq 35:57)K35 - 57
70X-RAY DIFFRACTION70chain 'K' and (resseq 58:75)K58 - 75
71X-RAY DIFFRACTION71chain 'K' and (resseq 76:100)K76 - 100
72X-RAY DIFFRACTION72chain 'K' and (resseq 101:110)K101 - 110
73X-RAY DIFFRACTION73chain 'K' and (resseq 111:126)K111 - 126
74X-RAY DIFFRACTION74chain 'L' and (resseq 5:32)L5 - 32
75X-RAY DIFFRACTION75chain 'L' and (resseq 33:128)L33 - 128
76X-RAY DIFFRACTION76chain 'M' and (resseq 2:14)M2 - 14
77X-RAY DIFFRACTION77chain 'M' and (resseq 15:21)M15 - 21
78X-RAY DIFFRACTION78chain 'M' and (resseq 22:61)M22 - 61
79X-RAY DIFFRACTION79chain 'M' and (resseq 62:83)M62 - 83
80X-RAY DIFFRACTION80chain 'M' and (resseq 84:93)M84 - 93
81X-RAY DIFFRACTION81chain 'M' and (resseq 94:119)M94 - 119
82X-RAY DIFFRACTION82chain 'N' and (resseq 2:11)N2 - 11
83X-RAY DIFFRACTION83chain 'N' and (resseq 12:16)N12 - 16
84X-RAY DIFFRACTION84chain 'N' and (resseq 17:24)N17 - 24
85X-RAY DIFFRACTION85chain 'N' and (resseq 25:29)N25 - 29
86X-RAY DIFFRACTION86chain 'N' and (resseq 30:61)N30 - 61
87X-RAY DIFFRACTION87chain 'O' and (resseq 2:15)O2 - 15
88X-RAY DIFFRACTION88chain 'O' and (resseq 16:49)O16 - 49
89X-RAY DIFFRACTION89chain 'O' and (resseq 50:73)O50 - 73
90X-RAY DIFFRACTION90chain 'O' and (resseq 74:88)O74 - 88
91X-RAY DIFFRACTION91chain 'P' and (resseq 1:19)P1 - 19
92X-RAY DIFFRACTION92chain 'P' and (resseq 20:43)P20 - 43
93X-RAY DIFFRACTION93chain 'P' and (resseq 44:52)P44 - 52
94X-RAY DIFFRACTION94chain 'P' and (resseq 53:62)P53 - 62
95X-RAY DIFFRACTION95chain 'P' and (resseq 63:83)P63 - 83
96X-RAY DIFFRACTION96chain 'Q' and (resseq 2:17)Q2 - 17
97X-RAY DIFFRACTION97chain 'Q' and (resseq 18:82)Q18 - 82
98X-RAY DIFFRACTION98chain 'Q' and (resseq 83:100)Q83 - 100
99X-RAY DIFFRACTION99chain 'R' and (resseq 19:23)R19 - 23
100X-RAY DIFFRACTION100chain 'R' and (resseq 24:28)R24 - 28
101X-RAY DIFFRACTION101chain 'R' and (resseq 29:36)R29 - 36
102X-RAY DIFFRACTION102chain 'R' and (resseq 37:43)R37 - 43
103X-RAY DIFFRACTION103chain 'R' and (resseq 44:52)R44 - 52
104X-RAY DIFFRACTION104chain 'R' and (resseq 53:76)R53 - 76
105X-RAY DIFFRACTION105chain 'R' and (resseq 77:88)R77 - 88
106X-RAY DIFFRACTION106chain 'S' and (resseq 2:12)S2 - 12
107X-RAY DIFFRACTION107chain 'S' and (resseq 13:25)S13 - 25
108X-RAY DIFFRACTION108chain 'S' and (resseq 26:35)S26 - 35
109X-RAY DIFFRACTION109chain 'S' and (resseq 36:40)S36 - 40
110X-RAY DIFFRACTION110chain 'S' and (resseq 41:70)S41 - 70
111X-RAY DIFFRACTION111chain 'S' and (resseq 71:81)S71 - 81
112X-RAY DIFFRACTION112chain 'T' and (resseq 8:66)T8 - 66
113X-RAY DIFFRACTION113chain 'T' and (resseq 67:75)T67 - 75
114X-RAY DIFFRACTION114chain 'T' and (resseq 76:91)T76 - 91
115X-RAY DIFFRACTION115chain 'T' and (resseq 92:106)T92 - 106
116X-RAY DIFFRACTION116chain 'U' and (resseq 2:8)U2 - 8
117X-RAY DIFFRACTION117chain 'U' and (resseq 9:15)U9 - 15
118X-RAY DIFFRACTION118chain 'U' and (resseq 16:25)U16 - 25

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