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

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Basic information

Entry
Database: PDB / ID: 7duh
TitleCrystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with mRNA and cognate transfer RNA anticodon stem-loop and sisomicin derivative N1''AC 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(*UP*UP*UP*UP*UP*U)-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 S2 / Ribosomal protein S2, flavodoxin-like domain superfamily / Ribosomal protein S2 / Ribosomal protein S7, conserved site / 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 S5, C-terminal domain / Ribosomal protein S13, conserved site / Ribosomal protein S4/S9 N-terminal domain / Ribosomal protein S13 signature. / 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 S14 / Ribosomal protein S14p/S29e / Ribosomal protein S15 signature. / 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 S10 domain / Ribosomal protein S10 domain superfamily
Similarity search - Domain/homology
Chem-HJO / 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-HJO / 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''AC bound
Authors: Demirci, H.
History
DepositionJan 9, 2021Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Jan 26, 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(*UP*UP*UP*UP*UP*U)-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)797,217275
Polymers790,54323
Non-polymers6,674252
Water4,306239
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: native gel electrophoresis
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area101700 Å2
ΔGint-766 kcal/mol
Surface area281610 Å2
Unit cell
Length a, b, c (Å)400.830, 400.830, 174.670
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(*UP*UP*UP*UP*UP*U)-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-HJO / N-[(1R,2R,3R,4S,5S)-4-[(2R,3R,6S)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2R,3R,4R)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide


Mass: 491.579 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C21H41N5O8 / Feature type: SUBJECT OF INVESTIGATION
#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: 1

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Sample preparation

CrystalDensity Matthews: 4.52 Å3/Da / Density % sol: 72.81 %
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: 2.92→39.834 Å / Num. obs: 284866 / % possible obs: 94 % / Redundancy: 68.44 % / Biso Wilson estimate: 84.91 Å2 / Rmerge(I) obs: 1.642 / Net I/σ(I): 4.96
Reflection shellResolution: 2.92→3 Å / Rmerge(I) obs: 9.102 / Num. unique obs: 16331 / % possible all: 73.5

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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→39.83 Å / SU ML: 0.53 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 28.48 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.23 932 0.71 %
Rwork0.188 --
obs0.188 132075 91.3 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 161.1 Å2
Refinement stepCycle: LAST / Resolution: 3.75→39.83 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19088 32943 285 239 52555
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.75-3.94750.4559660.40458650X-RAY DIFFRACTION43
3.9475-4.19460.34521380.304119560X-RAY DIFFRACTION96
4.1946-4.51810.29571440.261820285X-RAY DIFFRACTION100
4.5181-4.9720.26621440.20920409X-RAY DIFFRACTION100
4.972-5.68970.21751450.17720441X-RAY DIFFRACTION100
5.6897-7.16160.2191460.173220612X-RAY DIFFRACTION100
7.1616-39.40.17791490.139921186X-RAY DIFFRACTION100
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)
10.48960.1313-0.14150.5168-0.050.33820.00270.0476-0.03720.18840.09540.14050.1017-0.0001-0.10341.09250.14880.14650.9606-0.04271.392143.800883.4882-12.9864
21.199-0.2770.10710.7894-0.15950.23220.0842-0.68210.39150.32170.06-0.1927-0.24950.1239-0.13051.1464-0.1990.1311.66-0.63591.4478222.399129.37649.1294
32.61910.6626-0.65810.0501-0.29020.2479-0.319-0.0638-0.7699-0.19170.3376-0.64890.22960.1404-0.02521.28770.14630.04611.3164-0.12481.4732163.431469.1744-26.3292
45.5932-1.94483.99976.3245-4.60344.6838-1.2313-2.9346-0.38962.6573.45942.5795-2.0832-1.2136-2.36412.58430.03580.71063.36970.43572.2709203.6913112.1074-33.851
50.54280.80290.0173.0896-1.92072.0099-0.29440.0855-0.3689-1.71790.0067-0.86620.06590.78550.23271.8267-0.01870.34631.10820.3041.6658155.4568158.226-35.1723
64.7195-0.99262.07748.88753.46932.88610.4842-0.03520.4741-1.3851-0.61821.1805-0.2419-1.41030.19421.25610.26330.3840.77380.12321.93149.4723156.2328-27.994
74.99150.1256-4.41844.0621-1.39378.86940.3845-0.10551.689-0.3655-0.4196-0.5152-1.36951.0167-0.14091.5591-0.07460.34831.12130.05352.0858166.5624162.9764-19.6334
82.08130.06440.39758.31030.9173.3634-0.0418-0.48270.02580.14180.36440.2201-0.66680.4413-0.42161.2665-0.03210.47051.1828-0.47961.7875173.7071157.907-7.4316
98.7148-4.26060.00168.565-5.39144.5002-0.3972-1.01681.7212-0.00670.9338-0.9898-1.6471.5161-0.40051.8102-0.35660.39741.2429-0.67712.4783189.688163.2916-5.4421
102.2428-0.13191.18984.4494-1.45282.40120.1302-0.06260.4357-0.86430.2249-0.9787-0.43070.2716-0.30881.55220.16960.63050.7337-0.17351.9719159.7363156.7612-18.9906
117.16486.7008-5.54747.1833-6.06985.2051.5115-0.36692.3413-0.92510.57180.6388-2.9076-0.1513-2.03033.2753-0.0690.23951.20720.27093.1641162.4452175.2695-23.8831
122.3895-0.8993-1.05961.33440.07110.732-0.2959-0.82660.52070.66030.1598-0.1536-0.22110.06840.07781.7333-0.09450.06522.0266-0.81011.4539205.0298141.896433.3953
131.406-0.51350.78786.0702-0.83632.4711-0.2521-0.98390.29850.20270.31430.40720.1516-0.571-0.06830.9547-0.05060.34552.2275-0.58121.5276189.6937133.7217.3924
145.9309-2.525-1.21092.01150.569.9868-0.05370.2858-0.86160.48371.22161.35460.8187-0.1839-1.1121.187-0.01380.13731.0286-0.21941.561154.7766110.884737.4123
152.41050.23811.96897.191-4.62654.90040.4983-0.73431.0031-0.0496-0.3505-0.3368-0.64710.665-0.09991.39350.13140.21191.0562-0.21721.1706160.9437113.002924.9767
162.080.3171-0.06964.1720.00665.04050.19430.0105-0.22840.85120.04370.02250.5974-0.1807-0.21341.52650.10120.38720.8091-0.24051.3741136.5963103.617530.8214
170.2062-0.6205-0.18945.05091.72380.70780.4728-1.23580.60491.91710.52530.8562-1.3497-0.2752-0.84931.85850.13120.45941.6055-0.22821.2557132.9056109.870847.627
184.24172.2236-6.10643.8418-3.06718.79971.36811.16681.529-0.0254-0.6162-0.1281-1.5739-0.6682-0.58241.28920.34090.11541.19020.17541.147140.0758113.95323.3143
198.1388-3.25830.65644.0068-1.73265.56550.0962-1.75841.59840.7648-0.26890.0136-0.2957-0.42130.1191.1709-0.1370.09391.6653-0.26771.457161.9665126.96897.925
209.5578-1.9927-5.87532.00161.18933.6136-0.38670.2516-0.4754-0.0329-0.28570.1359-0.398-0.48230.49710.9710.096-0.01281.4348-0.2651.8158183.8494122.9521-2.905
213.2513-3.4797-3.11956.35260.92955.17620.6724-1.2912.5462-0.12640.1208-0.7633-0.03390.0649-0.74610.9367-0.17650.01620.9168-0.37141.3571162.0168129.85334.3391
227.7692-5.81150.1576.00911.13346.3421-0.6642-0.12982.20121.7780.65630.6716-1.15270.4203-0.14771.517-0.39750.84460.9815-0.30791.8023167.6517133.58835.2353
232.50144.2221-1.19138.93940.77845.21390.8181-0.06890.9262-0.0977-0.12510.2286-0.95280.2058-0.58581.09810.23370.35371.2545-0.10472.0075145.1503129.23130.2456
244.2866-3.89231.20023.863-0.28022.3386-0.98651.7149-3.5123-0.260.02030.67570.941-1.18560.85490.9712-0.04690.08671.17840.09461.9713152.4996120.0328-11.2866
255.6524-1.1018-1.96152.0321.58542.5815-0.4888-0.1286-0.13030.470.31450.6889-0.4291-0.42190.03481.25910.2230.62170.6265-0.16361.7237145.7338116.64390.7966
262.0397-2.1263-1.23936.67361.62424.8474-0.2057-0.1224-0.46960.6192-0.1580.06690.38840.14070.39340.6941-0.29070.24831.0272-0.2150.9442153.4044120.6984-0.6079
274.1084-4.74142.74165.5244-2.55288.8994-0.4232-0.09610.9420.5365-0.4296-0.1805-0.8367-0.59150.6431.17720.23770.15291.0979-0.27161.8284136.4869134.027-9.4329
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1163.9726-3.1881.27443.85820.78592.92280.3985-0.9229-1.0727-0.0672-2.68893.39040.9238-3.10542.06671.504-0.31230.02561.8502-0.16211.850792.685548.0607-40.1391
1175.0351-2.25686.07441.7942-2.23057.6331-1.0557-0.39920.28712.11040.21530.7135-0.3004-0.07570.77531.4193-0.20460.24481.9335-1.12412.5835251.0909124.19622.115
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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