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- PDB-7dug: Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal... -

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Basic information

Entry
Database: PDB / ID: 7dug
TitleCrystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with mRNA and cognate transfer RNA anticodon stem-loop and sisomicin derivative N1''TFMS bound
Components
  • (30S ribosomal protein ...) x 20
  • 30S Ribosomal RNA rRNA
  • RNA (5'-R(*GP*GP*GP*AP*UP*UP*GP*AP*AP*AP*AP*UP*CP*CP*C)-3')
  • RNA (5'-R(UPUPUPUPUPU)-3')
KeywordsRIBOSOME / 30S ribosomal subunit / Sisomicin / RNA structure / Thermus thermophilus / Antibiotic resistance / Decoding
Function / homology
Function and homology information


ribosomal small subunit biogenesis / ribosomal small subunit assembly / small ribosomal subunit / small ribosomal subunit rRNA binding / cytosolic small ribosomal subunit / tRNA binding / rRNA binding / 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
30S ribosomal protein Thx / 30S ribosomal protein Thx / 30S ribosomal protein / Ribosomal protein S14, type Z / 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 ...30S ribosomal protein Thx / 30S ribosomal protein Thx / 30S ribosomal protein / Ribosomal protein S14, type Z / 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 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 / Ribosomal protein S5 signature. / Ribosomal protein S7, conserved site / Ribosomal protein S2 / Ribosomal protein S2, flavodoxin-like domain superfamily / Ribosomal protein S2 / Ribosomal protein S7 signature. / K homology domain superfamily, prokaryotic type / Ribosomal protein S17, conserved site / Ribosomal protein S17 signature. / S5 double stranded RNA-binding domain profile. / Ribosomal protein S5 / Ribosomal protein S5, N-terminal / Ribosomal protein S5, N-terminal domain / Ribosomal protein S5, C-terminal / Ribosomal protein S13, conserved site / Ribosomal protein S4/S9 N-terminal domain / Ribosomal protein S13 signature. / Ribosomal protein S5, C-terminal domain / Ribosomal protein S13 / 30s ribosomal protein S13, C-terminal / Ribosomal protein S13/S18 / Ribosomal protein S13 family profile. / Ribosomal protein S8 signature. / Ribosomal protein S4/S9 N-terminal domain / Ribosomal protein S4/S9, N-terminal / Ribosomal protein S4, conserved site / Ribosomal protein S4 signature. / Ribosomal protein S15 signature. / Ribosomal protein S14 / Ribosomal protein S14p/S29e / Ribosomal protein S4/S9 / K homology domain-like, alpha/beta / Ribosomal protein S8 / Ribosomal protein S8 superfamily / Ribosomal protein S8 / S4 RNA-binding domain profile. / Ribosomal S11, conserved site / Ribosomal protein S11 signature. / Ribosomal protein S10p/S20e / Ribosomal protein S11 / Ribosomal protein S10 domain
Similarity search - Domain/homology
Chem-HJR / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS7 / Small ribosomal subunit protein uS17 ...Chem-HJR / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS7 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS2 / Small ribosomal subunit protein uS3 / Small ribosomal subunit protein uS4 / Small ribosomal subunit protein uS9 / Small ribosomal subunit protein uS11 / Small ribosomal subunit protein uS13 / Small ribosomal subunit protein bS20 / Small ribosomal subunit protein uS10 / Small ribosomal subunit protein uS19 / 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 HB8 (bacteria)
Thermus thermophilus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 3.75 Å
AuthorsDeMirci, H. / Destan, E.
Funding support United States, Turkey, 2items
OrganizationGrant numberCountry
National Science Foundation (NSF, United States)1231306 United States
Other government118C270 Turkey
CitationJournal: to be published
Title: Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with mRNA and cognate transfer RNA anticodon stem-loop and sisomicin derivative N1''TFMS bound
Authors: Demirci, H.
History
DepositionJan 9, 2021Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Jan 12, 2022Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: 30S Ribosomal RNA 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 type Z
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
Y: RNA (5'-R(UPUPUPUPUPU)-3')
W: RNA (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)797,276275
Polymers790,54323
Non-polymers6,733252
Water4,306239
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: native gel electrophoresis
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area102840 Å2
ΔGint-775 kcal/mol
Surface area278170 Å2
Unit cell
Length a, b, c (Å)400.000, 400.000, 173.000
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number92
Space group name H-MP41212

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Components

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RNA chain , 3 types, 3 molecules AYW

#1: RNA chain 30S Ribosomal RNA rRNA


Mass: 494169.781 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: cell / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8
#22: RNA chain RNA (5'-R(UPUPUPUPUPU)-3')


Mass: 1792.037 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria)
#23: RNA chain RNA (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 / Source: (natural) Thermus thermophilus (bacteria)

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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 / Details: cell / Source: (natural) Thermus thermophilus HB8 (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 / Details: cell / Source: (natural) Thermus thermophilus HB8 (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 / Details: cell / Source: (natural) Thermus thermophilus HB8 (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 / Details: cell / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / References: UniProt: Q5SHQ5
#6: Protein 30S ribosomal protein S6 / TS9


Mass: 11988.753 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: cell / Source: (natural) Thermus thermophilus HB8 (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 / Details: cell / Source: (natural) Thermus thermophilus HB8 (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 / Details: cell / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / References: UniProt: P0DOY9
#9: Protein 30S ribosomal protein S9


Mass: 14410.614 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: cell / Source: (natural) Thermus thermophilus HB8 (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 / Details: cell / Source: (natural) Thermus thermophilus HB8 (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 / Details: cell / Source: (natural) Thermus thermophilus HB8 (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 / Details: cell / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / References: UniProt: A0A3P4AU90
#13: Protein 30S ribosomal protein S13


Mass: 14338.861 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: cell / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / References: UniProt: P80377
#14: Protein 30S ribosomal protein S14 type Z


Mass: 7158.725 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: cell / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / References: UniProt: P0DOY6
#15: Protein 30S ribosomal protein S15


Mass: 10578.407 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: cell / Source: (natural) Thermus thermophilus HB8 (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 / Details: cell / Source: (natural) Thermus thermophilus HB8 (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 / Details: cell / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / References: UniProt: P24321
#18: Protein 30S ribosomal protein S18


Mass: 10258.299 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: cell / Source: (natural) Thermus thermophilus HB8 (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 / Details: cell / Source: (natural) Thermus thermophilus HB8 (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 / Details: cell / Source: (natural) Thermus thermophilus HB8 (bacteria) / Strain: HB8 / References: UniProt: P80380
#21: Protein/peptide 30S ribosomal protein Thx / S31


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

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Non-polymers , 4 types, 491 molecules

#24: Chemical ChemComp-HJR / N-[(1R,2R,3R,4S,5R)-4-[(2R,6S)-6-(aminomethyl)oxan-2-yl]oxy-5-azanyl-2-[(2R,4S,5R}-5-methyl-4-(methylamino)-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide


Mass: 550.590 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C20H37F3N4O8S
#25: Chemical...
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 249 / Source method: obtained synthetically / Formula: Mg
#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


Mass: 18.015 Da / Num. of mol.: 239 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 3

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Sample preparation

CrystalDensity Matthews: 4.46 Å3/Da / Density % sol: 72.44 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6.5 / Details: 17% MPD

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 0.9898 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Jun 19, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9898 Å / Relative weight: 1
ReflectionResolution: 2.91→39.779 Å / Num. obs: 287028 / % possible obs: 94.5 % / Redundancy: 84.9 % / Biso Wilson estimate: 100.3 Å2 / Rmerge(I) obs: 0.91 / Net I/σ(I): 6.58
Reflection shellResolution: 2.92→2.98 Å / Redundancy: 36.31 % / Rmerge(I) obs: 9.901 / Mean I/σ(I) obs: 0.51 / % possible all: 53.8

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Processing

Software
NameVersionClassification
PHENIXDEV-3318refinement
XDSdata reduction
XSCALEdata scaling
PDB_EXTRACT3.27data extraction
PHENIXphasing
RefinementMethod to determine structure: FOURIER SYNTHESIS / Resolution: 3.75→39.78 Å / SU ML: 0.48 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 26.08 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.225 979 0.7 %
Rwork0.186 --
obs0.186 140493 98.4 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 165 Å2
Refinement stepCycle: LAST / Resolution: 3.75→39.78 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19088 32943 287 239 52557
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.75-3.94750.35021390.318419844X-RAY DIFFRACTION99
3.9475-4.19460.33851400.274819901X-RAY DIFFRACTION99
4.1946-4.51810.30451350.257419228X-RAY DIFFRACTION96
4.5181-4.9720.23891390.201519924X-RAY DIFFRACTION99
4.972-5.68960.21411410.177720021X-RAY DIFFRACTION99
5.6896-7.16150.23711400.17520024X-RAY DIFFRACTION98
7.1615-39.40.17051450.141620572X-RAY DIFFRACTION98
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)
10.44030.1472-0.14680.472-0.04670.3012-0.0120.0409-0.02250.16140.09380.1280.1116-0.0077-0.08541.21360.12510.11121.0754-0.0421.6218143.484783.2735-12.829
21.039-0.25990.21530.6997-0.14850.28240.0626-0.59180.29910.28370.0261-0.1369-0.20560.0948-0.07471.2522-0.21140.14531.8179-0.57961.6844221.8786129.0989.0846
31.97780.5338-0.68180.2795-0.37250.2308-0.2727-0.1427-0.5055-0.21390.2693-0.47680.22320.14460.00461.3320.17150.01641.3809-0.14991.6693164.342169.8228-26.3647
44.11140.17233.99513.5782-2.89146.5037-0.2461-1.8467-0.41190.32822.17071.4373-1.35150.4064-2.0432.6956-0.36740.9283.71680.41893.0027203.2217111.7867-33.506
51.8194-2.0743-1.92454.35315.0556.0975-0.15280.0078-0.4882-2.42190.5220.0173-0.57931.0561-0.32171.7552-0.05220.30881.12790.26571.9007155.0918157.7037-34.9888
66.1297-0.48651.95318.85562.88495.40710.8562-0.26720.6765-1.5948-0.4930.9905-0.4376-1.4843-0.31511.43870.31040.42160.80460.21192.2871149.112155.8326-27.8303
74.458-1.4586-0.5858.07192.0829.92310.451-0.24912.2006-0.0863-0.2865-0.1994-2.35441.5773-0.27691.6095-0.16890.29051.0844-0.02492.0252166.1586162.5218-19.4611
85.40133.18171.5777.6179-1.96331.96070.1232-0.84870.2365-0.07720.03990.6778-1.0548-0.2411-0.17981.17640.00790.49271.0854-0.54161.8624173.3084157.4767-7.3102
98.8538-4.13170.08344.5103-4.13366.5331-0.7567-0.84671.42950.17551.1093-0.7987-1.5591.9635-0.21361.8041-0.37430.34871.4175-0.64722.3148189.3292162.7491-5.3289
103.21180.51362.15354.1363-2.79243.9977-0.1481-0.08960.2672-0.82170.1794-0.9057-0.07740.15160.00231.57080.09470.65750.7352-0.25632.1687159.3644156.3301-18.8305
115.76285.8548-3.35436.4526-3.98782.61860.9504-0.4312.01690.42430.59170.7735-2.2658-0.4851-1.5143.69290.06050.06390.97050.42093.0952162.0487174.8052-23.7344
123.5103-1.3802-2.09451.8776-0.06081.9994-0.2371-0.76490.66750.83670.2363-0.2469-0.3292-0.26670.01641.7179-0.11460.05091.9867-0.7721.4588204.5861141.605533.1787
131.6356-2.28881.92939.0761-0.66682.898-0.18-0.92460.18970.09580.35640.17690.0539-0.969-0.25221.0457-0.12970.43062.3905-0.50421.6084189.2529133.431217.2882
149.333-4.7103-3.08588.8781-0.5977.7265-0.39090.8886-1.15310.60551.45031.21571.3351-0.7019-0.97271.1173-0.14620.00820.9084-0.21111.5588154.3717110.676437.1774
156.87061.58341.43916.2224-3.33382.73570.8582-0.55410.90590.3457-0.3459-0.5968-0.53160.7311-0.41921.5917-0.01340.10121.1778-0.33221.364160.5734112.801224.8573
162.70041.4532-0.29564.6617-3.64137.08350.02180.0688-0.28090.95180.0776-0.08410.6026-0.5704-0.06471.55520.08680.38970.9115-0.24341.5409136.2434103.38930.642
173.59811.8265-2.06739.3812-5.26823.32440.1712-1.89181.12862.73280.822.242-2.3022-0.2025-1.09391.64780.25390.45741.4755-0.20791.2632132.5115109.602447.3629
185.48141.9545-7.19239.0574-3.06139.84051.8351.5442.5722-0.8051-0.5023-0.1482-2.3073-1.2244-1.17591.23880.3563-0.24481.13760.13691.2886139.713113.711123.1166
193.6845-4.2493-4.354.83614.98055.13110.0467-2.37011.90991.5455-0.0523-1.02740.18070.3892-0.11481.17480.04450.02981.6456-0.25671.7151161.5486126.60477.9478
209.4987-1.7783-6.19886.16960.49384.1269-1.10190.5428-1.78070.229-0.59721.2845-0.6292-1.38641.60720.96260.023-0.05331.9137-0.42641.9029183.4244122.5472-2.8051
212.296-1.7102-3.13117.0576-0.35425.49790.4343-1.68362.51120.00530.2150.0224-0.1650.1175-0.66030.9479-0.34820.10431.0394-0.47931.8418161.5723129.47784.4008
225.1449-4.63271.03726.75751.71084.4447-0.9873-0.08312.16721.46050.43920.4448-1.1470.43290.45671.9839-0.65260.71971.1214-0.28711.6372167.2579133.25195.2726
238.81237.4918-0.73617.4526-1.66712.6061.38640.02022.4888-0.0115-0.43491.6903-1.1181-0.0553-0.9481.26420.29350.33981.2367-0.24712.4063144.7471128.940.2064
242.0252.64421.0394.98731.63832.8714-1.27332.1156-3.0964-0.5119-0.2706-0.24920.6113-0.72711.5820.94660.09490.01211.0640.01082.1408152.1639119.7159-11.2223
254.7014-3.0588-0.81184.50012.4654.1196-0.9544-0.6748-0.76830.1460.22221.0205-0.3069-0.51630.67111.59290.18620.61790.7054-0.37211.9313145.3887116.33720.7225
264.9342-5.0486-0.82328.52625.4346.43830.0050.0971-0.60470.5525-0.2909-0.31430.48920.05070.25890.8177-0.30990.25640.9687-0.26381.1077153.0069120.386-0.625
275.2952-5.45386.33745.6326-6.52857.5951-0.38310.39581.74361.051-0.6003-0.7019-1.3784-1.06930.82851.18590.28360.21021.1873-0.35342.1396136.1061133.6475-9.4419
283.81991.5942-5.12242.7009-0.25998.6738-0.60480.9003-0.203-0.73820.00580.5870.28060.60590.61441.5344-0.0285-0.05081.8437-0.19571.3125173.5066114.6735-93.7681
297.54742.57215.91846.81283.39978.41530.29241.3132-0.0732-0.7879-0.0625-0.5663-0.00750.5302-0.13051.10060.05960.21321.34220.0761.2337174.3399115.6536-87.259
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1144.01824.5308-4.51196.3971-7.31829.65471.62311.32881.57370.82281.02232.94420.2184-0.0052-2.56321.2033-0.1923-0.15141.85110.39731.6101105.497651.8145-14.9996
1152.35252.25644.25842.15434.01059.0546-0.24150.60160.7596-0.2079-0.4204-0.3068-2.07592.44160.46341.2487-0.39850.24061.45420.69172.2633103.007152.3189-31.7763
1164.8731-4.59580.51654.88730.70242.5796-0.031-0.1606-0.7066-1.0439-2.57842.86560.4055-3.1612.31661.3186-0.1843-0.15151.7984-0.18021.690192.41347.9465-39.9097
1172.30161.89361.01521.90261.29321.05420.486-0.1422-0.59821.5973-0.07752.1236-0.78350.841-0.3441.3616-0.04640.23031.4066-0.83542.4904250.6082123.97572.1256
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1CHAIN 'A' AND (RESSEQ 5:920)
2X-RAY DIFFRACTION2CHAIN 'A' AND (RESSEQ 921:1400)
3X-RAY DIFFRACTION3CHAIN 'A' AND (RESSEQ 1401:1532)
4X-RAY DIFFRACTION4CHAIN 'A' AND (RESSEQ 1533:1541)
5X-RAY DIFFRACTION5CHAIN 'B' AND (RESSEQ 7:25)
6X-RAY DIFFRACTION6CHAIN 'B' AND (RESSEQ 26:64)
7X-RAY DIFFRACTION7CHAIN 'B' AND (RESSEQ 65:86)
8X-RAY DIFFRACTION8CHAIN 'B' AND (RESSEQ 87:122)
9X-RAY DIFFRACTION9CHAIN 'B' AND (RESSEQ 123:148)
10X-RAY DIFFRACTION10CHAIN 'B' AND (RESSEQ 149:226)
11X-RAY DIFFRACTION11CHAIN 'B' AND (RESSEQ 227:240)
12X-RAY DIFFRACTION12CHAIN 'C' AND (RESSEQ 2:112)
13X-RAY DIFFRACTION13CHAIN 'C' AND (RESSEQ 113:207)
14X-RAY DIFFRACTION14CHAIN 'D' AND (RESSEQ 2:34)
15X-RAY DIFFRACTION15CHAIN 'D' AND (RESSEQ 35:67)
16X-RAY DIFFRACTION16CHAIN 'D' AND (RESSEQ 68:148)
17X-RAY DIFFRACTION17CHAIN 'D' AND (RESSEQ 149:181)
18X-RAY DIFFRACTION18CHAIN 'D' AND (RESSEQ 182:209)
19X-RAY DIFFRACTION19CHAIN 'E' AND (RESSEQ 5:14)
20X-RAY DIFFRACTION20CHAIN 'E' AND (RESSEQ 15:27)
21X-RAY DIFFRACTION21CHAIN 'E' AND (RESSEQ 28:50)
22X-RAY DIFFRACTION22CHAIN 'E' AND (RESSEQ 51:63)
23X-RAY DIFFRACTION23CHAIN 'E' AND (RESSEQ 64:79)
24X-RAY DIFFRACTION24CHAIN 'E' AND (RESSEQ 80:86)
25X-RAY DIFFRACTION25CHAIN 'E' AND (RESSEQ 87:103)
26X-RAY DIFFRACTION26CHAIN 'E' AND (RESSEQ 104:140)
27X-RAY DIFFRACTION27CHAIN 'E' AND (RESSEQ 141:154)
28X-RAY DIFFRACTION28CHAIN 'F' AND (RESSEQ 1:32)
29X-RAY DIFFRACTION29CHAIN 'F' AND (RESSEQ 33:92)
30X-RAY DIFFRACTION30CHAIN 'F' AND (RESSEQ 93:101)
31X-RAY DIFFRACTION31CHAIN 'G' AND (RESSEQ 2:11)
32X-RAY DIFFRACTION32CHAIN 'G' AND (RESSEQ 12:20)
33X-RAY DIFFRACTION33CHAIN 'G' AND (RESSEQ 21:52)
34X-RAY DIFFRACTION34CHAIN 'G' AND (RESSEQ 53:57)
35X-RAY DIFFRACTION35CHAIN 'G' AND (RESSEQ 58:79)
36X-RAY DIFFRACTION36CHAIN 'G' AND (RESSEQ 80:92)
37X-RAY DIFFRACTION37CHAIN 'G' AND (RESSEQ 93:109)
38X-RAY DIFFRACTION38CHAIN 'G' AND (RESSEQ 110:129)
39X-RAY DIFFRACTION39CHAIN 'G' AND (RESSEQ 130:144)
40X-RAY DIFFRACTION40CHAIN 'G' AND (RESSEQ 145:156)
41X-RAY DIFFRACTION41CHAIN 'H' AND (RESSEQ 1:18)
42X-RAY DIFFRACTION42CHAIN 'H' AND (RESSEQ 19:29)
43X-RAY DIFFRACTION43CHAIN 'H' AND (RESSEQ 30:41)
44X-RAY DIFFRACTION44CHAIN 'H' AND (RESSEQ 42:53)
45X-RAY DIFFRACTION45CHAIN 'H' AND (RESSEQ 54:62)
46X-RAY DIFFRACTION46CHAIN 'H' AND (RESSEQ 63:72)
47X-RAY DIFFRACTION47CHAIN 'H' AND (RESSEQ 73:85)
48X-RAY DIFFRACTION48CHAIN 'H' AND (RESSEQ 86:95)
49X-RAY DIFFRACTION49CHAIN 'H' AND (RESSEQ 96:100)
50X-RAY DIFFRACTION50CHAIN 'H' AND (RESSEQ 101:106)
51X-RAY DIFFRACTION51CHAIN 'H' AND (RESSEQ 107:116)
52X-RAY DIFFRACTION52CHAIN 'H' AND (RESSEQ 117:127)
53X-RAY DIFFRACTION53CHAIN 'H' AND (RESSEQ 128:138)
54X-RAY DIFFRACTION54CHAIN 'I' AND (RESSEQ 2:25)
55X-RAY DIFFRACTION55CHAIN 'I' AND (RESSEQ 26:32)
56X-RAY DIFFRACTION56CHAIN 'I' AND (RESSEQ 33:53)
57X-RAY DIFFRACTION57CHAIN 'I' AND (RESSEQ 54:88)
58X-RAY DIFFRACTION58CHAIN 'I' AND (RESSEQ 89:97)
59X-RAY DIFFRACTION59CHAIN 'I' AND (RESSEQ 98:117)
60X-RAY DIFFRACTION60CHAIN 'I' AND (RESSEQ 118:128)
61X-RAY DIFFRACTION61CHAIN 'J' AND (RESSEQ 3:29)
62X-RAY DIFFRACTION62CHAIN 'J' AND (RESSEQ 30:42)
63X-RAY DIFFRACTION63CHAIN 'J' AND (RESSEQ 43:47)
64X-RAY DIFFRACTION64CHAIN 'J' AND (RESSEQ 48:70)
65X-RAY DIFFRACTION65CHAIN 'J' AND (RESSEQ 71:78)
66X-RAY DIFFRACTION66CHAIN 'J' AND (RESSEQ 79:85)
67X-RAY DIFFRACTION67CHAIN 'J' AND (RESSEQ 86:93)
68X-RAY DIFFRACTION68CHAIN 'J' AND (RESSEQ 94:100)
69X-RAY DIFFRACTION69CHAIN 'K' AND (RESSEQ 11:34)
70X-RAY DIFFRACTION70CHAIN 'K' AND (RESSEQ 35:57)
71X-RAY DIFFRACTION71CHAIN 'K' AND (RESSEQ 58:75)
72X-RAY DIFFRACTION72CHAIN 'K' AND (RESSEQ 76:100)
73X-RAY DIFFRACTION73CHAIN 'K' AND (RESSEQ 101:110)
74X-RAY DIFFRACTION74CHAIN 'K' AND (RESSEQ 111:126)
75X-RAY DIFFRACTION75CHAIN 'L' AND (RESSEQ 5:32)
76X-RAY DIFFRACTION76CHAIN 'L' AND (RESSEQ 33:128)
77X-RAY DIFFRACTION77CHAIN 'M' AND (RESSEQ 2:14)
78X-RAY DIFFRACTION78CHAIN 'M' AND (RESSEQ 15:21)
79X-RAY DIFFRACTION79CHAIN 'M' AND (RESSEQ 22:61)
80X-RAY DIFFRACTION80CHAIN 'M' AND (RESSEQ 62:83)
81X-RAY DIFFRACTION81CHAIN 'M' AND (RESSEQ 84:93)
82X-RAY DIFFRACTION82CHAIN 'M' AND (RESSEQ 94:119)
83X-RAY DIFFRACTION83CHAIN 'N' AND (RESSEQ 2:11)
84X-RAY DIFFRACTION84CHAIN 'N' AND (RESSEQ 12:16)
85X-RAY DIFFRACTION85CHAIN 'N' AND (RESSEQ 17:24)
86X-RAY DIFFRACTION86CHAIN 'N' AND (RESSEQ 25:29)
87X-RAY DIFFRACTION87CHAIN 'N' AND (RESSEQ 30:61)
88X-RAY DIFFRACTION88CHAIN 'O' AND (RESSEQ 2:15)
89X-RAY DIFFRACTION89CHAIN 'O' AND (RESSEQ 16:49)
90X-RAY DIFFRACTION90CHAIN 'O' AND (RESSEQ 50:73)
91X-RAY DIFFRACTION91CHAIN 'O' AND (RESSEQ 74:88)
92X-RAY DIFFRACTION92CHAIN 'P' AND (RESSEQ 1:19)
93X-RAY DIFFRACTION93CHAIN 'P' AND (RESSEQ 20:43)
94X-RAY DIFFRACTION94CHAIN 'P' AND (RESSEQ 44:52)
95X-RAY DIFFRACTION95CHAIN 'P' AND (RESSEQ 53:62)
96X-RAY DIFFRACTION96CHAIN 'P' AND (RESSEQ 63:83)
97X-RAY DIFFRACTION97CHAIN 'Q' AND (RESSEQ 2:17)
98X-RAY DIFFRACTION98CHAIN 'Q' AND (RESSEQ 18:82)
99X-RAY DIFFRACTION99CHAIN 'Q' AND (RESSEQ 83:100)
100X-RAY DIFFRACTION100CHAIN 'R' AND (RESSEQ 19:23)
101X-RAY DIFFRACTION101CHAIN 'R' AND (RESSEQ 24:28)
102X-RAY DIFFRACTION102CHAIN 'R' AND (RESSEQ 29:36)
103X-RAY DIFFRACTION103CHAIN 'R' AND (RESSEQ 37:43)
104X-RAY DIFFRACTION104CHAIN 'R' AND (RESSEQ 44:52)
105X-RAY DIFFRACTION105CHAIN 'R' AND (RESSEQ 53:76)
106X-RAY DIFFRACTION106CHAIN 'R' AND (RESSEQ 77:88)
107X-RAY DIFFRACTION107CHAIN 'S' AND (RESSEQ 2:12)
108X-RAY DIFFRACTION108CHAIN 'S' AND (RESSEQ 13:25)
109X-RAY DIFFRACTION109CHAIN 'S' AND (RESSEQ 26:35)
110X-RAY DIFFRACTION110CHAIN 'S' AND (RESSEQ 36:40)
111X-RAY DIFFRACTION111CHAIN 'S' AND (RESSEQ 41:70)
112X-RAY DIFFRACTION112CHAIN 'S' AND (RESSEQ 71:81)
113X-RAY DIFFRACTION113CHAIN 'T' AND (RESSEQ 8:66)
114X-RAY DIFFRACTION114CHAIN 'T' AND (RESSEQ 67:75)
115X-RAY DIFFRACTION115CHAIN 'T' AND (RESSEQ 76:91)
116X-RAY DIFFRACTION116CHAIN 'T' AND (RESSEQ 92:106)
117X-RAY DIFFRACTION117CHAIN 'U' AND (RESSEQ 2:8)

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