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- PDB-9gco: Xenorhabdus bovienii Thioredoxin complex with Rhs toxin TreX and ... -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 9gco
TitleXenorhabdus bovienii Thioredoxin complex with Rhs toxin TreX and immunity protein TriX
Components
  • Immunity Protein TriX
  • Thioredoxin
  • Toxin TreX
KeywordsTOXIN / ADP-ribosyltransferase / thioredoxin
Function / homology
Function and homology information


protein-disulfide reductase activity / cell redox homeostasis / cytosol
Similarity search - Function
: / Scabin-like / Domain of unknown function DUF6531 / RHS protein / Domain of unknown function (DUF6531) / RHS protein / RHS repeat / RHS Repeat / YD repeat / Rhs repeat-associated core ...: / Scabin-like / Domain of unknown function DUF6531 / RHS protein / Domain of unknown function (DUF6531) / RHS protein / RHS repeat / RHS Repeat / YD repeat / Rhs repeat-associated core / : / Thioredoxin / Thioredoxin / Thioredoxin, conserved site / Thioredoxin family active site. / Thioredoxin domain profile. / Thioredoxin domain / Thioredoxin-like superfamily
Similarity search - Domain/homology
DI(HYDROXYETHYL)ETHER / Uncharacterized protein / Complete genome segment 11/17 / Thioredoxin
Similarity search - Component
Biological speciesXenorhabdus bovienii SS-2004 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å
AuthorsJurenas, D. / Terradot, L.
Funding support Belgium, 1items
OrganizationGrant numberCountry
Fonds National de la Recherche Scientifique (FNRS)F4526.23 Belgium
CitationJournal: Nat Commun / Year: 2024
Title: Thioredoxin 1 moonlights as a chaperone for an interbacterial ADP-ribosyltransferase toxin.
Authors: Dumont, B. / Terradot, L. / Cascales, E. / Van Melderen, L. / Jurenas, D.
History
DepositionAug 2, 2024Deposition site: PDBE / Processing site: PDBE
Revision 1.0Dec 4, 2024Provider: repository / Type: Initial release
Revision 1.1Dec 11, 2024Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Thioredoxin
B: Toxin TreX
C: Immunity Protein TriX
D: Thioredoxin
E: Toxin TreX
F: Immunity Protein TriX
hetero molecules


Theoretical massNumber of molelcules
Total (without water)89,61215
Polymers89,1196
Non-polymers4939
Water3,549197
1
A: Thioredoxin
B: Toxin TreX
C: Immunity Protein TriX
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,8268
Polymers44,5593
Non-polymers2665
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: Thioredoxin
E: Toxin TreX
F: Immunity Protein TriX
hetero molecules


Theoretical massNumber of molelcules
Total (without water)44,7867
Polymers44,5593
Non-polymers2264
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)81.955, 82.353, 121.607
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number18
Space group name H-MP21212
Space group name HallP22ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x+1/2,y+1/2,-z
#4: -x,-y,z
Components on special symmetry positions
IDModelComponents
11B-202-

CA

21E-302-

HOH

Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1chain "A"
d_2ens_1chain "D"
d_1ens_2(chain "B" and (resid 10 through 138 or resid 201))
d_2ens_2(chain "E" and (resid 10 through 138 or resid 201))
d_1ens_3chain "C"
d_2ens_3(chain "F" and resid 3 through 136)

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11ens_1ILEILEILEILEAA8 - 1158 - 115
d_21ens_1ILEILEILEILEDD8 - 1158 - 115
d_11ens_2ASPASPTYRTYRBB10 - 13810 - 138
d_12ens_2PEGPEGPEGPEGBH201
d_21ens_2ASPASPTYRTYREE10 - 13810 - 138
d_22ens_2PEGPEGPEGPEGEM201
d_11ens_3ASPASPASPASPCC3 - 1363 - 136
d_21ens_3ASPASPASPASPFF3 - 1363 - 136

NCS ensembles :
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixVector
1given(-0.99816631448, -0.0587437983916, -0.01460050646), (-0.0586701047049, 0.9982626806, -0.00542580271726), (0.0148938729778, -0.00455924025863, -0.999878685579)1.81801124187, -0.196108397381, -60.800339353
2given(-0.998505612361, -0.053958644654, -0.00866064376558), (-0.0539889469758, 0.998536067443, 0.0033038795003), (0.00846969230727, 0.00376652126065, -0.999957037892)1.78560107277, 0.189970988191, -60.7854025949
3given(-0.998471138888, -0.054470848989, -0.00939741550879), (-0.054471065565, 0.998515322208, -0.000233091535418), (0.00939616006851, 0.000279152065487, -0.999955816149)1.68679231752, 0.0878111029247, -60.6640000835

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Components

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Protein , 3 types, 6 molecules ADBECF

#1: Protein Thioredoxin


Mass: 12603.529 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Xenorhabdus bovienii SS-2004 (bacteria)
Gene: trxA, XBJ1_4182 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: D3V6L5
#2: Protein Toxin TreX / Toxin TreX


Mass: 15317.222 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Xenorhabdus bovienii SS-2004 (bacteria)
Gene: XBJ1_1305 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: D3UXR3
#3: Protein Immunity Protein TriX


Mass: 16638.732 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Xenorhabdus bovienii SS-2004 (bacteria)
Gene: XBJ1_1304 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: D3UXR2

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Non-polymers , 3 types, 206 molecules

#4: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Ca
#5: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H10O3
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 197 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN
Has protein modificationN

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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: 2.3 Å3/Da / Density % sol: 46.59 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.2 M Calcium chloride dihydrate, 0.1 M Tris-HCl pH 8.0, 44 % v/v PEG 400

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 2 / Wavelength: 0.97856 Å
DetectorType: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Mar 19, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97856 Å / Relative weight: 1
ReflectionResolution: 1.94→48.92 Å / Num. obs: 61176 / % possible obs: 99.5 % / Redundancy: 13.3 % / Biso Wilson estimate: 34.21 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.111 / Rpim(I) all: 0.032 / Χ2: 0.92 / Net I/σ(I): 14.5
Reflection shellResolution: 1.94→1.99 Å / Redundancy: 12.1 % / Rmerge(I) obs: 1.544 / Num. unique obs: 4167 / CC1/2: 0.636 / Rpim(I) all: 0.449 / Χ2: 0.8

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
PHASERphasing
XDSdata reduction
Aimlessdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2→48.92 Å / SU ML: 0.2046 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 25.28
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.223 1849 3.29 %
Rwork0.1884 54397 -
obs0.1896 56246 99.88 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 43.89 Å2
Refinement stepCycle: LAST / Resolution: 2→48.92 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5937 0 21 197 6155
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01126080
X-RAY DIFFRACTIONf_angle_d1.04988208
X-RAY DIFFRACTIONf_chiral_restr0.0607892
X-RAY DIFFRACTIONf_plane_restr0.01311065
X-RAY DIFFRACTIONf_dihedral_angle_d14.1442250
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS0.652535069356
ens_2d_2BBX-RAY DIFFRACTIONTorsion NCS0.717900286503
ens_3d_2CCX-RAY DIFFRACTIONTorsion NCS0.604251409866
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2-2.050.28781350.26224108X-RAY DIFFRACTION99.98
2.05-2.110.31171420.23274146X-RAY DIFFRACTION99.98
2.11-2.180.26051410.21894121X-RAY DIFFRACTION99.95
2.18-2.260.24891360.21074131X-RAY DIFFRACTION99.95
2.26-2.350.26591410.2014153X-RAY DIFFRACTION99.88
2.35-2.460.25431420.19394134X-RAY DIFFRACTION99.95
2.46-2.590.25211420.19414179X-RAY DIFFRACTION99.93
2.59-2.750.24841400.19244151X-RAY DIFFRACTION99.81
2.75-2.960.22331410.20144183X-RAY DIFFRACTION99.88
2.96-3.260.25351420.19884180X-RAY DIFFRACTION99.91
3.26-3.730.21521470.18164235X-RAY DIFFRACTION99.93
3.73-4.70.15921450.14794250X-RAY DIFFRACTION99.86
4.7-48.920.22241550.19214426X-RAY DIFFRACTION99.54
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)
14.907782131921.239581923610.7437392960236.79099279781.572833258956.8510124717-0.2007472977440.123116150091-0.008430390335840.06698561658090.190000526819-0.0598326604072-0.3198419351510.461843077664-0.06064585640.370431448413-0.03905626318620.004759506897360.541542106080.03262657364980.30635344953119.787359071437.1018021801-45.8723463366
22.536607587522.37517448208-0.1602881588613.931104782740.06835555077324.03671388288-0.2038174434250.666375694001-0.599381284263-0.4345368619810.243258730686-0.4836370772080.2296418608630.665377871433-0.08239723849460.3160504911530.03410794805040.007166678698420.555551039659-0.1159119768310.32605030834719.503845958528.7061604432-47.5950115031
37.602157221472.413220270363.922351177183.429107517721.560508621747.7943318808-0.122660030313-0.11756859220.2703616465090.111989949353-0.0646577795468-0.0388415163819-0.407653646770.2248432793530.1645595595990.2834945335990.01662818739610.03268950254310.35848610378-0.02059874106870.25672487985115.8863557533.2611383019-37.1032271157
45.21042246775-4.492781257190.7692535375259.36673456371-1.66420166912.787853177850.3695220191260.5264512952160.190084570872-1.16112309196-0.285276242496-0.140886574430.001714044529140.738856673053-0.04376564109870.473364604411-0.0671908755220.02880373799940.680011178937-0.08207944910980.35071086056614.733177212127.6395301748-55.7846262173
52.095670308960.2774769654112.333353750662.35932074795-1.226025593893.85309630203-0.1757854456890.187311255599-0.584944185497-0.1027747402550.0420454937144-0.3213513514040.002701019117640.2106564828920.1070205506180.3680287441850.0513679407357-0.003988382505650.451631929511-0.09438420335470.30840403656718.649766187622.9051334119-45.3977010513
64.717502348940.33957258433.829513887336.42956143758-2.194368858914.111226704380.118977451162-0.194109574584-1.30843924806-0.44947749920.13667375387-0.1278404643150.4650017522310.205880641019-0.2848582936590.2903282117040.0196641777391-0.0785983983830.353016725372-0.08775290546740.31183200402717.553473212321.2347518995-39.787223548
77.12713702967-2.1030206839-2.220793924558.19146912137-0.3713603588969.466803022550.1824636990420.01034783443170.2254654541520.0867664889779-0.279821599665-0.296919529773-0.02182346756490.03995213378480.006843504517960.414721182272-0.01121024765470.02750017965470.457372392436-0.006249288220630.33207910738919.898654199723.7765133649-31.2903074962
83.43289277855-1.05461689370.2424760955914.59828336977-2.341567050873.223766388320.117785872970.353399046326-0.607424311175-0.409249597989-0.1478424708610.1791790573570.3228041677860.09458201667560.02794902171650.344029119713-0.0283293759231-0.03705106068910.535306556559-0.1216769912960.381697391623-5.453902911624.1764859145-54.2417042087
98.05094002883-4.467885556416.907292805273.67939488046-3.904814096116.47696845228-0.1873752282030.2903304300470.190373245061-0.02155745596360.07424007501530.1057450776710.103155641-0.2993600442020.06222899052110.362947566559-0.0100179243599-0.03646227802150.580249468597-0.06226115405740.337865830304-17.118754176425.8999050394-62.4301521577
102.653446341790.192914234710.5453324704181.04251824542-0.8106424876952.37186834761-0.1036313908830.476461886323-0.0909338920642-0.1899138552730.0784943998950.06319840851990.00275165791868-0.1058269479577.42984929323E-50.324643348141-0.0395087698664-0.003237706170450.44620245802-0.08280002760930.276955349598-14.997768461127.5079566045-50.9141275074
115.251839406031.04837405826-4.300481240724.78772621374-0.3341032832977.668319064110.1442182948010.49497009751-0.03804495133490.01129211496610.08192443233220.22963634379-0.198778162497-0.518014925808-0.2392404252180.288194208371-0.0463781379408-0.0958699148980.4518433493550.04934287513480.301489824505-19.592384215339.417232682-51.8638897169
124.70754828074-0.754563857822-0.453541749322.63185909631-0.7981886062380.5644869643630.05457419017640.319484493214-0.235722657709-0.125033420662-0.0197975925167-0.1492516693450.0630655727986-0.00493147853475-0.08647363256280.302092128819-0.0477217571475-0.004293357864650.373550684259-0.1033849030730.243799279669-2.6443553705824.1152768555-50.3239450919
134.62765850301-2.04074043427-6.138936698243.268246122830.7482449438779.690749941520.157787591288-0.078559672169-0.3688516695250.201931764586-0.0714767481791-0.2634771089190.123334881409-0.183725214462-0.1234918203080.628889703355-0.138590229122-0.01474411106070.450098576554-0.01245703783670.46806593728-30.00158591468.75648917327-39.0328465956
142.587195535780.357913966071-2.682357902756.62816348909-0.05835698815528.10700649201-0.149996624385-0.389250456776-0.907513883970.07422266575670.120359880381-0.2318392796490.683028325352-0.314639477761-0.03293771606460.544883135545-0.0749378828633-0.003928543222950.630276486978-0.02151036370210.490601545938-28.75918504497.43498251426-40.6750387822
158.214280435043.67824573151-2.071988784314.02966651135-0.6919210946743.26360524826-0.3167993762980.901224304846-0.5037620268850.1385776173550.0104335753085-0.1314022324490.136237522876-0.9284743600250.5501888259080.539770437163-0.1306416148020.0961072672180.541360455053-0.1584582789120.579954238404-24.16890491618.58420745432-50.4343873014
164.55301209282.10241858936-1.574616719392.41424109160.1896046736521.86714214627-0.2349205435740.627373210337-0.452018971987-0.0896124800150.0130226166676-0.02606558829580.506619613103-0.5382926027910.2740590442790.482700515538-0.1815833048680.01977926944390.698315997084-0.1468658430770.4159467394-32.722728616111.3584495335-47.8170700786
172.074903938640.1219286639160.1978785785862.82628610554-1.332229491381.89604387442-0.1009830276620.0614563575859-0.1684545759740.1063103188010.02366925370110.1495041784060.0691188417212-0.3234117785890.05923555988740.330625425314-0.07476993177150.01087702294950.458980553693-0.087475298340.279604111901-28.226480101225.8880336164-42.3750108679
186.07406954874.62095413153-0.9217655319823.66623298183-0.8013367705272.39833877399-0.1236971347210.1954972389940.389685568824-0.5993325122860.1131830985731.126875932250.0617159002187-0.5362290324390.004851809879240.343216882376-0.0388380821261-0.05672904338490.6731606389-0.003787836250190.362947443455-35.123569274232.6958105635-50.0955164075
194.611468460950.611650396016-0.2848119167888.96643043798-4.331540112479.8173634336-0.0353679676454-0.09584269085780.0187648513782-0.564879364893-0.04057127837370.1470046157650.150695622177-0.3649310024890.06594680495570.2608074514620.06184973667540.004153464590420.424392465089-0.005467314750420.320337206286-19.395040987636.0108436146-14.7901128685
204.99185015056-2.156883005341.103133609642.74011627173-0.111074981973.38711875603-0.233427900693-0.665757184684-0.4344650978310.1222735635820.2856310751140.4617537598510.14108318376-0.520257887529-0.03292013125190.225103975560.000820345453077-0.004516329189860.3597267880740.08516332479990.299173512427-18.663534024427.6334648727-12.9620972625
218.59369285814-0.4227857887052.771545577683.783678746920.04112561143318.64104708042-0.04802016126390.2979503321570.102574643073-0.136816517065-0.116958556441-0.0696807812059-0.3087086924930.2725024491650.1686015444580.225663885068-0.02492401958110.01948837167980.23817009889-0.001316875099660.247675089397-14.79155068131.8509530329-20.411811845
222.389475631580.9220103061730.03615210275733.31974972407-0.8982142492327.12953920357-0.173943121053-0.521980784436-0.5828132051720.2496060523160.08813369715980.2892754402560.110084500608-0.2097513774850.01150854106510.2765308431430.03608218023080.02411829372020.3111674364680.01308541638420.320524637357-17.084770686122.0099676902-12.6803963492
236.23002319498-2.21273252241.007302570063.359836271270.2154312120635.370150179980.0604076571537-0.155604207762-1.643947127090.303473298592-0.243536055834-0.1639486964520.05818439800690.005251184168260.2060673313990.302850094361-0.0105777353926-0.05379891930890.29054174437-0.03809195469190.411521610499-16.354519211220.2088299467-20.860467026
249.458784882092.37038489646-2.652082387659.51519719225-1.073610558032.090074226650.04218902399190.366568968080.198218271448-0.211649712707-0.08218343948980.3414238922870.5636853588470.0006768506884680.03302530440130.393043556974-0.03316998731660.005674839754990.515669651253-0.02174899552410.282703797013-19.072733036122.6325167161-29.4340597156
255.521907980431.927527723970.03444525677947.021188785442.686419677323.751493344170.247950382406-0.18664072668-0.8644986555640.412600449322-0.267912203117-0.04709901993890.382372669058-0.133331403583-0.01640489483430.265929099350.00271541815121-0.03533278650680.3732424295750.1060219351150.3350710449726.4735009811824.0153976541-6.75208482313
267.724305226324.538547632716.071699129135.046905883783.327388170595.43224761892-0.0765060704693-0.585950202111-0.1268879876420.1170850885610.12826393970.134747850770.1683178371910.186230345314-0.05766088730720.3832823073330.0928759624201-0.03318710012270.555835556520.0489447013090.32179281973818.067643349526.95295521071.74384077746
274.088596842540.09463275719440.8360069299632.860728309581.213570290093.91777073351-0.0997019503393-0.1138849624790.1653743867530.2166454595870.10812773233-0.112708624294-0.0320805064060.367950880701-0.01911303700410.2452247563260.0143931623860.007688984565930.2986787435190.02857279247310.26249331385719.317369230430.714265909-7.86222662954
281.112238766850.5560250239610.5857106672651.717048765610.6763805953141.67978514348-0.0211514354922-0.109594800206-0.0671565342810.07964492796580.0899270478467-0.15515928559-0.0488593879111-0.138988052579-0.08285493424250.2444683130880.0545015225978-0.01057738035650.3465396175210.003245825594830.29667979216414.515166257431.9126849158-11.1693069849
295.53569091031.85513791972.576601418442.472082085592.177686602352.652336911470.107000628104-0.634849226081-0.1563147284810.2383642462780.0121087879402-0.1841948840160.0338713490967-0.417468585376-0.1025367539390.2843412417130.04890335720250.01125893437210.3142594280480.05095058725220.2758984088027.0652895951527.5077748502-5.43153149201
306.806320920170.0252253362701-1.332603258873.399988440150.6817269361862.108206863250.05859369467370.232155594951-0.164660317474-0.05891906164150.1546997274080.1392445399940.145779692418-0.253099258225-0.1750845794590.221261471790.00770512064962-0.04274207634440.2090864669470.04499372589960.276199931747-0.31517750646521.3545192577-13.5800912843
318.008153419531.37716313426-5.134563625894.15007891044-0.2524746348657.554418815850.3946653511921.18792322982-0.32131429412-0.140529481537-0.1994439214090.238831601999-0.114161053433-0.771597720525-0.1792019050050.4046030255060.056723725518-0.03691804578540.423436270919-0.05458334757760.38436332706131.413627140410.2903127527-21.8244591787
329.696647219540.0270211410366-5.366388044143.08532271050.530263016549.05975243912-0.6800131043160.0941790649655-0.5892308702230.06155268147990.07159733884630.327758934230.973476636483-0.2391729471820.6119051108030.3542477407560.02518752107460.002717607016460.3331311800450.01208504308850.5035088447228.09027563379.49324885288-15.4846392339
335.84250400082-3.34628739915-2.64741100963.700013251460.1725700415066.07639874444-0.139311469866-0.336399853907-0.384023533008-0.006749795194870.05399622229710.005832638837210.4682627567340.3390840235960.1281786787840.2569258906110.0425318748102-0.001028480297210.2939525807060.01399020471880.3072524008834.229536837813.2772815238-13.175084473
343.68057687154-0.1782434264161.596719124464.737229398111.271740342741.927509156120.0752255756343-0.174453763890.04398778107360.0969818808208-0.0874033513452-0.0315837763851-0.0050546717342-0.0784846352426-0.004525354815450.250462766410.03392056625540.01449406499030.2642555788110.03405992217370.25680812161125.800915201326.2502004086-14.6904366464
354.604357662732.765360695481.626918105715.626538108063.306804569764.28432051952-0.3650762141640.5043253657060.352971873796-0.8198075373870.075416548147-0.0774706180348-0.5211768195480.004361743691290.2964086017450.3391028970880.03333968804540.007721290057220.3414384296840.05167257420610.29322706069226.861971677633.9979671872-20.6811486846
365.78594071467-0.8597882150912.448457996493.701216135632.224146870454.923717451010.06921862163240.6036648323670.261783147836-0.451434231894-0.0760165155105-0.265644593109-0.213462871470.520870765607-0.005324743207010.2954958567670.0286045598170.08329778401540.3704100931410.0430487334650.36643498488236.131037529822.5876918388-22.6270689288
373.84627367843-4.474517385481.270689563175.33521427-1.958380486625.4173951121-0.137227077448-0.2053846918170.175543484340.568958872241-0.124351108908-0.7089090400380.08449754285940.6080428975260.2377634132180.2622250694510.00687665388058-0.002807633276890.391423383875-0.02454097050230.37733321379335.863055195433.2013282736-10.8671516999
388.671611950725.9561269941.60128767075.418187470294.219896786747.622697027061.08133986078-0.9723394562250.5547737766340.750625956043-0.788662893794-0.4980807628190.4402330549660.498034751963-0.3261008127610.3665713112810.00610941709269-0.002078752849080.6824476653730.01673837900520.66940808407933.800637549253.5051696039-9.11182702157
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 8 through 19 )AA8 - 191 - 12
22chain 'A' and (resid 20 through 40 )AA20 - 4013 - 33
33chain 'A' and (resid 41 through 67 )AA41 - 6734 - 60
44chain 'A' and (resid 68 through 77 )AA68 - 7761 - 70
55chain 'A' and (resid 78 through 92 )AA78 - 9271 - 85
66chain 'A' and (resid 93 through 103 )AA93 - 10386 - 96
77chain 'A' and (resid 104 through 115 )AA104 - 11597 - 108
88chain 'B' and (resid 9 through 28 )BB9 - 281 - 20
99chain 'B' and (resid 29 through 38 )BB29 - 3821 - 30
1010chain 'B' and (resid 39 through 84 )BB39 - 8431 - 76
1111chain 'B' and (resid 85 through 102 )BB85 - 10277 - 94
1212chain 'B' and (resid 103 through 138 )BB103 - 13895 - 130
1313chain 'C' and (resid 3 through 15 )CD3 - 151 - 13
1414chain 'C' and (resid 16 through 27 )CD16 - 2714 - 25
1515chain 'C' and (resid 28 through 38 )CD28 - 3826 - 36
1616chain 'C' and (resid 39 through 69 )CD39 - 6937 - 67
1717chain 'C' and (resid 70 through 119 )CD70 - 11968 - 117
1818chain 'C' and (resid 120 through 136 )CD120 - 136118 - 134
1919chain 'D' and (resid 8 through 19 )DE8 - 191 - 12
2020chain 'D' and (resid 20 through 40 )DE20 - 4013 - 33
2121chain 'D' and (resid 41 through 72 )DE41 - 7234 - 65
2222chain 'D' and (resid 73 through 92 )DE73 - 9266 - 85
2323chain 'D' and (resid 93 through 103 )DE93 - 10386 - 96
2424chain 'D' and (resid 104 through 115 )DE104 - 11597 - 108
2525chain 'E' and (resid 10 through 28 )EF10 - 281 - 19
2626chain 'E' and (resid 29 through 38 )EF29 - 3820 - 29
2727chain 'E' and (resid 39 through 67 )EF39 - 6730 - 58
2828chain 'E' and (resid 68 through 102 )EF68 - 10259 - 93
2929chain 'E' and (resid 103 through 121 )EF103 - 12194 - 112
3030chain 'E' and (resid 122 through 140 )EF122 - 140113 - 131
3131chain 'F' and (resid 3 through 15 )FH3 - 151 - 13
3232chain 'F' and (resid 16 through 38 )FH16 - 3814 - 36
3333chain 'F' and (resid 39 through 69 )FH39 - 6937 - 67
3434chain 'F' and (resid 70 through 92 )FH70 - 9268 - 90
3535chain 'F' and (resid 93 through 107 )FH93 - 10791 - 105
3636chain 'F' and (resid 108 through 119 )FH108 - 119106 - 117
3737chain 'F' and (resid 120 through 134 )FH120 - 134118 - 132
3838chain 'F' and (resid 135 through 141 )FH135 - 141133 - 139

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