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- PDB-8odp: Structure of human RTCB with GMPCPP in complex with Archease -

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Basic information

Entry
Database: PDB / ID: 8odp
TitleStructure of human RTCB with GMPCPP in complex with Archease
Components
  • Protein archease
  • RNA-splicing ligase RtcB homolog
KeywordsLIGASE / archease / RTCB / human / tRNA / GMPCPP
Function / homology
Function and homology information


tRNA-splicing ligase complex / 3'-phosphate/5'-hydroxy nucleic acid ligase / RNA ligase (GTP) activity / tRNA splicing, via endonucleolytic cleavage and ligation / vinculin binding / tRNA processing in the nucleus / tRNA processing / placenta development / nuclear envelope / in utero embryonic development ...tRNA-splicing ligase complex / 3'-phosphate/5'-hydroxy nucleic acid ligase / RNA ligase (GTP) activity / tRNA splicing, via endonucleolytic cleavage and ligation / vinculin binding / tRNA processing in the nucleus / tRNA processing / placenta development / nuclear envelope / in utero embryonic development / intracellular membrane-bounded organelle / endoplasmic reticulum membrane / GTP binding / RNA binding / nucleoplasm / metal ion binding / nucleus / cytoplasm / cytosol
Similarity search - Function
RNA-splicing ligase RtcB homologue, eukaryotic / Archease / Archease domain / Archease domain superfamily / Archease protein family (MTH1598/TM1083) / Uncharacterized protein family UPF0027 signature. / RNA-splicing ligase, RtcB / tRNA-splicing ligase RtcB-like superfamily / tRNA-splicing ligase RtcB
Similarity search - Domain/homology
PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER / : / Protein archease / RNA-splicing ligase RtcB homolog
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å
AuthorsKopp, J. / Gerber, J.L. / Peschek, J.
Funding support Germany, 1items
OrganizationGrant numberCountry
German Research Foundation (DFG)442512666 Germany
CitationJournal: Nat Commun / Year: 2024
Title: Structural and mechanistic insights into activation of the human RNA ligase RTCB by Archease.
Authors: Gerber, J.L. / Morales Guzman, S.I. / Worf, L. / Hubbe, P. / Kopp, J. / Peschek, J.
History
DepositionMar 9, 2023Deposition site: PDBE / Processing site: PDBE
Revision 1.0Mar 27, 2024Provider: repository / Type: Initial release
Revision 1.1Apr 17, 2024Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: RNA-splicing ligase RtcB homolog
B: Protein archease
C: RNA-splicing ligase RtcB homolog
D: Protein archease
E: RNA-splicing ligase RtcB homolog
F: Protein archease
G: RNA-splicing ligase RtcB homolog
H: Protein archease
hetero molecules


Theoretical massNumber of molelcules
Total (without water)308,82824
Polymers306,0848
Non-polymers2,74416
Water5,350297
1
A: RNA-splicing ligase RtcB homolog
B: Protein archease
hetero molecules


Theoretical massNumber of molelcules
Total (without water)77,2076
Polymers76,5212
Non-polymers6864
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: RNA-splicing ligase RtcB homolog
D: Protein archease
hetero molecules


Theoretical massNumber of molelcules
Total (without water)77,2076
Polymers76,5212
Non-polymers6864
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
E: RNA-splicing ligase RtcB homolog
F: Protein archease
hetero molecules


Theoretical massNumber of molelcules
Total (without water)77,2076
Polymers76,5212
Non-polymers6864
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
G: RNA-splicing ligase RtcB homolog
H: Protein archease
hetero molecules


Theoretical massNumber of molelcules
Total (without water)77,2076
Polymers76,5212
Non-polymers6864
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)98.433, 122.597, 124.759
Angle α, β, γ (deg.)90.000, 107.880, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 4 through 9 or resid 11...
d_2ens_1(chain "C" and (resid 4 through 9 or resid 11...
d_3ens_1(chain "E" and (resid 4 through 9 or resid 11...
d_4ens_1(chain "G" and (resid 4 through 9 or resid 11...
d_1ens_2(chain "B" and (resid 42 through 85 or resid 87...
d_2ens_2(chain "D" and (resid 42 through 85 or resid 87...
d_3ens_2(chain "F" and (resid 42 through 85 or resid 87...
d_4ens_2(chain "H" and (resid 42 through 85 or resid 87...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1SERLEUA4 - 9
d_12ens_1PHEASNA11 - 16
d_13ens_1ASNLEUA18 - 50
d_14ens_1ASNALAA52 - 53
d_15ens_1GLYALAA56 - 165
d_16ens_1ASPLEUA167 - 200
d_17ens_1ALAASNA202 - 239
d_18ens_1ALAALAA242 - 243
d_19ens_1LYSMETA245 - 281
d_110ens_1ASPASPA284
d_111ens_1ILEGLUA286 - 367
d_112ens_1THRSERA369 - 439
d_113ens_1ASNASPA442 - 450
d_114ens_1LEUALAA452 - 458
d_115ens_1ARGGLYA460 - 505
d_21ens_1SERLEUI3 - 8
d_22ens_1PHEASNI10 - 15
d_23ens_1ASNLEUI17 - 49
d_24ens_1ASNALAI51 - 52
d_25ens_1GLYALAI55 - 164
d_26ens_1ASPLEUI166 - 199
d_27ens_1ALAASNI201 - 238
d_28ens_1ALAALAI241 - 242
d_29ens_1LYSMETI244 - 280
d_210ens_1ASPASPI283
d_211ens_1ILEGLUI285 - 366
d_212ens_1THRSERI368 - 438
d_213ens_1ASNASPI441 - 449
d_214ens_1LEUALAI451 - 457
d_215ens_1ARGGLYI459 - 504
d_31ens_1SERLEUQ2 - 7
d_32ens_1PHEASNQ9 - 14
d_33ens_1ASNLEUQ16 - 48
d_34ens_1ASNALAQ50 - 51
d_35ens_1GLYALAQ54 - 163
d_36ens_1ASPLEUQ165 - 198
d_37ens_1ALAASNQ200 - 237
d_38ens_1ALAALAQ240 - 241
d_39ens_1LYSMETQ243 - 279
d_310ens_1ASPASPQ282
d_311ens_1ILEGLUQ284 - 365
d_312ens_1THRSERQ367 - 437
d_313ens_1ASNASPQ440 - 448
d_314ens_1LEUALAQ450 - 456
d_315ens_1ARGGLYQ458 - 503
d_41ens_1SERLEUY3 - 8
d_42ens_1PHEASNY10 - 15
d_43ens_1ASNLEUY17 - 49
d_44ens_1ASNALAY51 - 52
d_45ens_1GLYALAY55 - 164
d_46ens_1ASPLEUY166 - 199
d_47ens_1ALAASNY201 - 238
d_48ens_1ALAALAY241 - 242
d_49ens_1LYSMETY244 - 280
d_410ens_1ASPASPY283
d_411ens_1ILEGLUY285 - 366
d_412ens_1THRSERY368 - 438
d_413ens_1ASNASPY441 - 449
d_414ens_1LEUALAY451 - 457
d_415ens_1ARGGLYY459 - 504
d_11ens_2LYSLEUF33 - 76
d_12ens_2THRTHRF78 - 83
d_13ens_2GLYGLNF85 - 121
d_14ens_2ASNTYRF123 - 157
d_15ens_2GLUILEF160 - 170
d_21ens_2LYSLEUN30 - 73
d_22ens_2THRTHRN75 - 80
d_23ens_2GLYGLNN82 - 118
d_24ens_2ASNTYRN120 - 154
d_25ens_2GLUILEN157 - 167
d_31ens_2LYSLEUV30 - 73
d_32ens_2THRTHRV75 - 80
d_33ens_2GLYGLNV82 - 118
d_34ens_2ASNTYRV120 - 154
d_35ens_2GLUILEV157 - 167
d_41ens_2LYSLEUH32 - 75
d_42ens_2THRTHRH77 - 82
d_43ens_2GLYGLNH84 - 120
d_44ens_2ASNTYRH122 - 156
d_45ens_2GLUILEH159 - 169

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(-0.657067112034, 0.529224794582, 0.536827651191), (-0.161764707611, -0.794530401868, 0.585280804298), (0.736271002862, 0.297728999776, 0.607669690734)-66.9998719218, 67.1994660875, -13.0764078441
2given(0.664738228597, -0.519881366603, -0.536513235719), (-0.56874925183, -0.817813250337, 0.0877825501746), (-0.484404145301, 0.246789084507, -0.839313869648)47.1770868582, 90.8968037572, 53.846143992
3given(-0.999923520308, 0.0122797000615, -0.00147054483017), (0.0107738112649, 0.806511419595, -0.591120338894), (-0.00607276926331, -0.591090973565, -0.80658203702)-19.8098506218, 26.9990879934, 84.4347754797
4given(-0.674710602049, 0.511321335213, 0.532274455182), (-0.130967942052, -0.792655043296, 0.595437133954), (0.726369741687, 0.33203685713, 0.601779464479)-65.1521961279, 65.9372717999, -14.651514008
5given(0.671884183082, -0.519072296529, -0.528332845374), (-0.55647529894, -0.824529358327, 0.102403998585), (-0.488781020698, 0.225200551136, -0.842839145729)46.3851664095, 90.3807306683, 55.417775032
6given(-0.99995906982, 0.00878263132301, -0.00217349293425), (0.00841373408778, 0.814340839408, -0.58032594837), (-0.00332682479118, -0.580320482716, -0.814381403015)-19.4749266987, 25.844089692, 84.134402531

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Components

#1: Protein
RNA-splicing ligase RtcB homolog / 3'-phosphate/5'-hydroxy nucleic acid ligase


Mass: 55412.320 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: RTCB, C22orf28, HSPC117 / Production host: Spodoptera frugiperda (fall armyworm)
References: UniProt: Q9Y3I0, 3'-phosphate/5'-hydroxy nucleic acid ligase
#2: Protein
Protein archease


Mass: 21108.562 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ZBTB8OS / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: A8K0B5
#3: Chemical
ChemComp-MN / MANGANESE (II) ION


Mass: 54.938 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: Mn
#4: Chemical
ChemComp-G2P / PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER


Mass: 521.208 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C11H18N5O13P3 / Feature type: SUBJECT OF INVESTIGATION / Comment: GMP-CPP, energy-carrying molecule analogue*YM
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 297 / Source method: isolated from a natural source / Formula: H2O
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: 2.34 Å3/Da / Density % sol: 47.45 %
Crystal growTemperature: 291.15 K / Method: vapor diffusion, sitting drop / Details: 0.2 M potassium nitrate, 20% w/v PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 0.97625 Å
DetectorType: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: May 10, 2022
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97625 Å / Relative weight: 1
ReflectionResolution: 2.3→122.6 Å / Num. obs: 124773 / % possible obs: 99.8 % / Redundancy: 7 % / Biso Wilson estimate: 50.33 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.095 / Rpim(I) all: 0.039 / Net I/σ(I): 11.4
Reflection shellResolution: 2.3→2.34 Å / Rmerge(I) obs: 1.161 / Mean I/σ(I) obs: 1.5 / Num. unique obs: 6124 / CC1/2: 0.786 / Rpim(I) all: 0.465

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDS20210205data reduction
Aimless1.12.10data scaling
PHASER2.8.3phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.3→51.29 Å / SU ML: 0.2766 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.1046
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2158 6255 5.02 %
Rwork0.1807 118423 -
obs0.1825 124678 99.71 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 63.07 Å2
Refinement stepCycle: LAST / Resolution: 2.3→51.29 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms20977 0 140 297 21414
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003321534
X-RAY DIFFRACTIONf_angle_d0.673829139
X-RAY DIFFRACTIONf_chiral_restr0.0473167
X-RAY DIFFRACTIONf_plane_restr0.00483817
X-RAY DIFFRACTIONf_dihedral_angle_d12.58957960
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.560827643408
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS0.578433185178
ens_1d_4AX-RAY DIFFRACTIONTorsion NCS0.523181640755
ens_2d_2FX-RAY DIFFRACTIONTorsion NCS0.437614074454
ens_2d_3FX-RAY DIFFRACTIONTorsion NCS0.513478187607
ens_2d_4FX-RAY DIFFRACTIONTorsion NCS0.414101163398
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.3-2.330.36861910.29563904X-RAY DIFFRACTION99.39
2.33-2.350.31572020.2793970X-RAY DIFFRACTION99.33
2.35-2.380.29512090.27153905X-RAY DIFFRACTION99.28
2.38-2.410.29781890.25943926X-RAY DIFFRACTION99.35
2.41-2.440.33352260.26423912X-RAY DIFFRACTION99.59
2.44-2.480.29681990.25253904X-RAY DIFFRACTION99.81
2.48-2.510.29372000.2523957X-RAY DIFFRACTION99.24
2.51-2.550.32052260.28013907X-RAY DIFFRACTION99.71
2.55-2.590.32962110.26273940X-RAY DIFFRACTION99.64
2.59-2.630.2782240.2463851X-RAY DIFFRACTION99.46
2.63-2.680.29282250.23863935X-RAY DIFFRACTION99.69
2.68-2.730.28962170.2383937X-RAY DIFFRACTION99.74
2.73-2.780.25432380.21083927X-RAY DIFFRACTION99.78
2.78-2.840.28032010.20973972X-RAY DIFFRACTION99.88
2.84-2.90.2522120.21433930X-RAY DIFFRACTION99.86
2.9-2.970.28411780.22043997X-RAY DIFFRACTION99.81
2.97-3.040.25982140.22393877X-RAY DIFFRACTION99.9
3.04-3.120.26081880.23064000X-RAY DIFFRACTION99.76
3.12-3.210.27271950.22793942X-RAY DIFFRACTION99.83
3.21-3.320.24932010.21263975X-RAY DIFFRACTION99.93
3.32-3.440.24042030.18793944X-RAY DIFFRACTION99.9
3.44-3.570.20972130.18033981X-RAY DIFFRACTION100
3.57-3.740.20662090.17363926X-RAY DIFFRACTION100
3.74-3.930.1962210.16793998X-RAY DIFFRACTION99.95
3.93-4.180.19251930.15313954X-RAY DIFFRACTION99.95
4.18-4.50.16372310.13333957X-RAY DIFFRACTION99.98
4.5-4.950.1562060.12993967X-RAY DIFFRACTION99.88
4.95-5.670.15982300.14333978X-RAY DIFFRACTION99.74
5.67-7.140.18892010.15243989X-RAY DIFFRACTION99.71
7.14-51.290.15952020.13554061X-RAY DIFFRACTION99.37
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)
10.412090564073-0.119767331815-0.4393755143890.629079457378-0.1706863951510.7756332861320.0474439455083-0.258384811588-0.03266136704290.240855601249-0.122859857646-0.01140708309710.1297867918-0.277299123824-0.0001823323281440.56576324445-0.08205931445740.04443325208190.515757333871-0.04371698829360.50680468909417.64359.97480.341
20.6625768444570.435047729899-0.1058757412370.9188747992730.142874070830.66074231798-0.0290895333142-0.100212379356-0.03494000366190.1160052773360.001500562291630.04296885428560.0356772338494-0.06136008368940.000103745381840.3481775375660.0171142449923-4.58081015042E-60.301730360155-0.02101894018080.38976995597329.15566.32865.487
30.2223534746060.005621571839830.3191502089271.00257876324-0.1233746900391.049179342770.007663542380950.0700188051638-0.0358402472979-0.0494417795412-0.0110747890339-0.1371065934450.04954993276620.24394850385-7.28413541375E-50.343633687910.01701637119250.02442831927320.380783544418-0.07966281363340.4678300054645.68863.91450.86
40.706953244492-0.360278264621-0.4180440673920.60239406161-0.4148085936230.8755116842960.06324413976060.07544447996390.1357903789440.219385935289-0.0531367844212-0.0874986617583-0.1132897195650.239517335860.0008211948953210.400957799882-0.007243566662340.0219489919240.269988965472-0.03534211881980.46979138153343.06783.57964.366
50.2380831995240.4037453280630.001885063682630.3541436508410.1942038954370.09640125098590.0144452318501-0.0765371085097-0.3644401432850.0784737809637-0.048858987145-0.05597879698050.314245475413-0.007122453820324.849852571330.4327364690930.0218349128323-0.01443192869530.2637208915020.02352001739020.48497882410131.7846.1762.059
60.2970798909440.4042034096050.1666112355851.01572648590.3906109656160.349686569116-0.054639178344-0.00188304317773-0.1039133574530.01630845136060.172935058409-0.2932387410910.1178465939140.03854019419540.0001453046763180.3170765529590.02305104579310.04526953739310.356071428637-0.04795474294170.4391644604245.32468.19456.899
71.012939403840.7414239385890.4541691309990.9681397042810.5098340015060.2493643546850.0216876082368-0.249790894503-0.03845932909920.3600026723130.0295231717511-0.169993355363-0.0101958771389-0.00476115705849-0.000362431870.4531971688340.02768603126620.0139151639260.396418010559-0.01061782615130.49734126406342.75367.88472.172
81.078970871160.540308557216-0.04852884692721.504014004830.4363424068340.6065546256070.0604312219485-0.09630276193490.155012506604-0.021960325770.0440615566890.2751698693880.00895518565544-0.0932531625471-0.0001832225830.4354003298980.02695883630130.01962388691870.282037827067-0.02810326695970.53363903110827.62677.15761.576
90.450168613217-0.302776791552-0.4383344843340.7763263329340.3940418136090.4875094239150.1207479290951.40938397967-0.709870554151-1.253214887280.003664437738570.603769888327-0.620109235671-0.784069280648-0.0183025714680.653546895753-0.08944102872490.009831621423870.692596187675-0.02357020335340.6978195452183.55361.2749.574
100.5745284197390.318960639114-0.04964517595850.1549092612090.01141037701880.8861051899780.525686602571-0.04594970958370.92187813689-0.305726632948-0.2229999051081.09857042997-1.23852919493-0.537649592109-0.04010295150460.8692913279880.185208703711-0.001475271107730.7196745407960.3039920541870.72994897962417.36770.34333.805
110.5469150580790.5850150455120.03601743706150.838427338788-0.1116091091180.398001489174-0.2340156854190.5181102579311.23285813614-0.0155411291727-0.05684643207310.896294409792-0.07446141315730.291588478481-0.8908313260510.404288234840.0521931971716-0.1125024490240.4957585904310.1537203756450.48749926962913.22160.85444.432
120.1034530844030.526533848945-0.3315380146250.341239129339-0.568405102110.184147927334-0.1649793250960.3833742731950.323600927675-0.2107331888150.1536391942690.260511152685-0.220766401463-0.03829511533910.000623569043180.4539945492170.0178757529906-0.0368031023140.3879892480498.76055534004E-50.45429396463115.40655.39542.595
130.640139988640.4767760630250.2395105980890.970412573092-0.05921680844590.1174400214970.02975772907280.310996474653-0.1477134548570.01601008661740.0708927645475-0.2067580708560.08886853875610.0983977657221-0.0003913610340.4243719101820.0111932146976-0.007544505621630.378297444495-0.02551772967920.442714298824.20348.61142.451
141.044137408930.1697029603490.1815902972731.315802352120.359006892650.6347993945590.0238407634852-0.00126588530710.117700652292-0.01386398715510.0256755806659-0.0456302191071-0.1079559694490.09520156575610.00014410413230.33911319473-0.02011506296440.018128115490.27866922470.01252886540660.42445324231118.98751.35946.415
151.686230687190.0925680399963-0.2582071100450.9625042300170.2437059209881.203401920140.0509195604919-0.05191530800280.103983053791-0.0461989229149-0.0168174419222-0.130686380872-0.05139992714490.0475045468542-0.0001191065080.381158281528-0.00744557304770.06542486707960.456974144598-0.0567009873840.460884617157-9.81559.64366.593
161.36847486979-0.1788487419920.820539887222.01946426592-0.555384660281.072675914270.177655966661-0.224632174697-0.3126737448070.394916383088-0.0544717826043-0.05609992433130.281516007855-0.0680788830379-0.0003591923890.540255223637-0.0648878414394-0.009567789871560.4774531498610.0193129216060.461587779038-28.90134.81972.899
170.06760676420010.120699617655-0.01475748011250.112986824972-0.113786138002-0.02030078692220.0204609788490.08555537241970.1013855360630.09851263806690.01296553942440.05379744732060.124893778774-0.05613767286830.000109684700720.339450029479-0.004471755594880.02938083026340.420612646271-0.04191242193870.510396628517-30.11661.77561.736
181.45922872320.3376929620420.4495311953140.7761181660680.2825298654870.7789981347040.188129724665-0.283217755956-0.2437371249040.28072107591-0.037243484185-0.1359611433810.284859174030.0722376857115-0.0002846063988250.481378412242-0.00458450534579-0.03358299488210.460356994758-0.006643064426040.439828744911-19.14340.27473.181
190.209599976579-0.02682720882530.4508593158610.0901657277907-0.09053314578080.3465302244470.3771012389770.598766525622-0.366955607324-0.131106983814-0.464936353724-0.7596759480060.3114561452340.869789279376-0.004451423532940.7307773969030.04516398416470.0266577698280.888121428413-0.1011311047570.720717492261-19.14233.45240.807
200.4510451950190.2414987726210.4451886537880.4878740131280.1164234605810.642737065172-0.1314467218240.582973347331-0.113423035569-0.1290446080230.17257107228-0.2808871887760.09081817943120.843793055949-0.08289104317120.431146554524-0.01918121071080.06941135602240.778406217566-0.1542397316420.457175621982-18.54645.9641.764
211.447723865640.003575932090761.206067959371.131759572170.5140084041741.46314208561-0.0228048748730.364536106957-0.00483889689516-0.12956476475-0.015689655205-0.000691536371134-0.02028930350220.0935369822223-0.00018912563620.398346686246-0.007124421902490.02818133475920.543197190805-0.05998368180210.440314188934-31.86447.07742.654
220.568228610363-0.02867655944720.2855299074710.3187978839790.3522144897510.4158855745140.1145372790770.1647234269320.03850355997440.123035291780.03044368012010.0238550837785-0.2560251503280.288705812075-0.0002352012822670.402194630449-0.04148413703560.05876858005780.557259556676-0.02105966547020.378150301784-20.65254.40347.104
230.7627124978080.409366488420.2859579982470.404448470388-0.557050768640.770150885532-0.01123498965290.261935781460.01268987620720.03439244651870.09708867377560.305103755780.0949828809495-0.6953052734910.01078259711110.566551933099-0.01437900811750.008997650328640.971896405984-0.06662577169110.488715613936-9.09435.644-4.824
241.286132288610.2741422316260.1417268489090.805075940197-0.4640195809761.26016389685-0.02031655195740.174696222575-0.35061301869-0.0551127667373-0.00392503431060.06473806163270.564849153108-0.114881488486-2.14969015995E-60.694992506538-0.02629875967010.05690500586230.418101555971-0.1573584235180.59576322409910.18712.2435.348
250.034051189460.02071063211680.09704522186080.172735856430.005717820805620.197950337674-0.05484371298570.192062573187-0.08441230593290.166959223531-0.0299719403411-0.217233789750.0291441402016-0.08616693548920.000191458402140.5116424349610.03095873530810.01267548769940.6925577741360.04132167290790.47700890097611.01140.576-2.254
261.2219693805-0.06216113570230.1226052149270.410419624268-0.5232944387971.477422849310.003652695129070.292267895335-0.408692248469-0.06568881780540.02659046252710.1720529880440.50850284732-0.5597390970460.3851262148890.740426361031-0.140946450346-0.01876120626790.6593320795-0.1875205265050.6064966851910.24816.4611.717
270.263106959263-0.235786303312-0.1553267261960.4639470536620.6548386612570.944670689674-0.0581800388746-0.2206957977750.6395637691580.390064297857-0.446909490612-0.335754802157-0.567491303917-1.21493755685-0.05484630651750.9279256921390.0675621320136-0.1112616122961.003152133830.04361880305660.897624093239-4.44933.22327.113
280.353190780692-0.251130731972-0.346108124130.439133607504-0.04015867933130.30656774535-0.03238882897540.0891698849488-0.29383499849-0.0919992512413-0.04515585475620.03953034865330.344998066487-0.7412145070080.0004454992677970.548408507777-0.0181186438548-0.0261547091320.6241617180450.03575836489630.4764500983452.21234.1729.324
291.06366249690.02799645112770.7725395015770.553622974856-0.6392690321681.79333501082-0.1506553097250.1938853051910.06910184988310.0300672389111-0.004889781116680.0845729196523-0.117876909615-0.177551670272-6.401144271340.4731577029330.0240984955163-0.04367196890420.3906587248710.002530990659190.37597021024510.80440.88921.24
300.664454654862-0.217007067187-0.4142694905540.1579134521310.1139407273020.849262315341-0.0317318121680.04737426317980.07841192382990.2130608071320.1613463321790.431473296204-0.161791686229-0.0412316056613-0.0009323182080.631380645566-0.00520160036555-0.1224103867440.3102531463270.01927754629870.46099718063113.68740.89323.102
310.5882033149630.310613001412-0.3133523293270.265279847775-0.535303046830.839218864079-0.03875871256160.295669213816-0.03553090507340.05867601610250.07119344294610.0652878088446-0.0914707892754-0.28482308926-0.000493040975620.5733938352150.0905936799304-0.01950294159180.5688640644980.02409161278050.4207958746581.70243.62113.709
320.363154872611-0.35753452317-0.3581658875410.652165322555-0.0963929887110.4980219795950.1472115680560.5747858244470.0668816776306-0.001528171625310.06309432793160.1330469007640.2958221916520.752358227892-0.0001086963398870.7965703968620.0172588704983-0.04462517774531.10087806092-0.1018375725850.632913515335-37.31432.1-16.298
331.067172632020.2613514765870.3073945586690.3236344353160.01402589116521.29896653062-0.08594839026170.2745354090190.0203754145249-0.113539522052-0.00913071159919-0.119540373515-0.04144508000180.448025608666-0.006055811768130.645591006121-0.0932743891057-0.1345318454060.696413872108-0.01574405583090.517400392451-51.82344.47-3.731
340.517503587779-0.3491122363940.4202659501270.2560950172180.1228047762212.11884747509-0.205032807071-0.03241050121520.1433484144050.238964269807-0.115096250970.0317641510861-0.8186759350740.148545281799-0.01161799229950.585211968906-0.101015956901-0.169581779430.571781660020.05756108043450.530381276957-64.50350.296-1.921
350.0261268960165-0.1455136233090.09699677079230.104735680899-0.1339578598880.029886372217-0.1019157759220.0878042508153-0.229134972967-0.3154354715250.0616923060880.4540208752030.5021005710550.348292610388-0.0003036627381630.7677283634620.0289386413992-0.03650411143830.646134659312-0.01749929424120.606299501493-50.93528.0787.19
361.32149916091-0.2240712772810.1874620306210.913761262365-0.642410232832.2616117508-0.182881621270.408477996086-0.0170142971737-0.2248045159560.0337039460512-0.0548036806260.001266888797310.2442386512980.0001685126674250.590413230701-0.096051463902-0.1037977506930.5773026431490.02175145746860.490683471517-61.37544.676-8.662
370.0368615513547-0.385465425244-0.1079988310190.4507734506150.331183514387-0.0206706362362-0.4209183893350.6585230618330.506499802309-0.1759605100510.243539134274-0.158267509078-0.3951787854681.03363756253-0.001948958053610.861709762026-0.316388412945-0.1623707846810.946325571680.1356585357850.704193715315-44.07557.095-9.152
380.0088911743177-0.0228561416581-0.03409252874190.02849477988950.04301382936930.08404492247710.252276791728-0.7148585822740.4926353331650.216415163311-0.495653867820.208500578075-0.1700503259770.33741344999-0.001582058951120.8363224069120.0729608145428-0.1381480897581.0984083905-0.09197554971410.934229632558-23.72747.887.414
390.0980060958199-0.004230801680070.0178825246279-0.005896487083320.001291972903150.02875958134430.937460705842-0.03958777915850.135043896928-0.361227294825-0.743410337352-0.25691484641-0.3071134491720.4226497373250.001120057599211.03597374477-0.134925150614-0.02830686813640.755488764438-0.05472859308441.17202483853-37.13964.27715.501
400.03961829637780.0832178626178-0.1089312279050.086063586957-0.09183863765370.044296876923-0.3966023251350.5870598803170.223176425757-0.4256617027380.08001356952810.256456401831-0.3828492594840.8128567059740.001947002209450.654272469245-0.126572562985-0.110414216190.760510940031-0.1978015406730.772897271304-30.28455.89322.658
410.273947655494-0.122919757314-0.2050212287960.1671081785460.1699796830990.166749782694-0.006990349008720.7014634237440.158403998884-0.1360824730910.05151701876080.0565995724168-0.186178075950.765065314199-0.0002396396932750.663890476756-0.08250052669020.02335049152771.02794818181-0.01968647690860.554857926283-32.12343.5718.085
42-0.05991342371590.0892442381275-0.02312817241370.2553661845620.01663222060720.0344561168951-0.3164451428910.5448283496150.273660353632-0.2158554532630.108752302362-0.698123195797-0.179743042640.665125305316-0.003754913017110.595438964401-0.0885485563273-0.04816158709310.830575982615-0.1316829410420.574193094479-36.35348.15618.939
430.433211782044-0.06770386285020.3627620794830.254260399681-0.198209237230.272930139793-0.0231289824783-0.234789263468-0.08630229525930.120360508365-0.5515667833110.5888665057880.336971087751-0.05479790344940.001256614250060.6185281707640.0301502404855-0.02878515164750.702572022650.01687577615820.475322057796-43.00736.50425.006
440.471758710191-0.19415832182-0.01397778280040.4660207337470.006991558636650.415378791968-0.241337730346-0.150723627672-0.158341778271-0.1699396461950.2464764116060.1479699981260.01271626146220.5088805846150.001434178463110.570155184372-0.0666516484455-0.06113076241960.765800872839-0.08139677994170.475408340379-43.44942.43820.035
450.6782500285680.476573037724-0.1239669855620.247259479094-0.04088869080930.556473914727-0.0961020857873-0.113456609949-0.0081497716742-0.3339207417450.2680286008510.0807978403350.07591015436810.3657264134420.0005363553221840.6930417397880.0846956790819-0.09181882777860.832790549987-0.1083452384860.532984327176-38.08636.4125.992
460.0274773900417-0.02937249867450.05304979251650.0765839045311-0.06792937446810.0681867561175-0.119184321040.9772630973010.556029153362-0.505092356205-0.0419590268238-0.207530994277-0.441443903232-0.2034393547370.0003050088701360.991101883163-0.0295076122317-0.2628556091150.7078475908680.01330311074990.763129537979-45.55959.11116.15
470.3609529792570.44511369491-0.03501028710220.5509716120330.2403886762250.328790421687-0.2392709932680.7254594397210.173918056998-0.0315937163432-0.00823437385061-0.03573763271-0.0408785920460.4882013173770.000302481138480.632332781361-0.00794763975246-0.06575422258491.05924080373-0.07763969576840.569173140166-35.46637.4719.76
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 1:32 )A1 - 32
2X-RAY DIFFRACTION2( CHAIN A AND RESID 33:150 )A33 - 150
3X-RAY DIFFRACTION3( CHAIN A AND RESID 151:234 )A151 - 234
4X-RAY DIFFRACTION4( CHAIN A AND RESID 235:262 )A235 - 262
5X-RAY DIFFRACTION5( CHAIN A AND RESID 263:300 )A263 - 300
6X-RAY DIFFRACTION6( CHAIN A AND RESID 301:363 )A301 - 363
7X-RAY DIFFRACTION7( CHAIN A AND RESID 364:407 )A364 - 407
8X-RAY DIFFRACTION8( CHAIN A AND RESID 408:505 )A408 - 505
9X-RAY DIFFRACTION9( CHAIN B AND RESID 10:19 )B10 - 19
10X-RAY DIFFRACTION10( CHAIN B AND RESID 20:34 )B20 - 34
11X-RAY DIFFRACTION11( CHAIN B AND RESID 35:51 )B35 - 51
12X-RAY DIFFRACTION12( CHAIN B AND RESID 52:85 )B52 - 85
13X-RAY DIFFRACTION13( CHAIN B AND RESID 86:125 )B86 - 125
14X-RAY DIFFRACTION14( CHAIN B AND RESID 126:179 )B126 - 179
15X-RAY DIFFRACTION15( CHAIN C AND RESID 2:112 )C2 - 112
16X-RAY DIFFRACTION16( CHAIN C AND RESID 113:262 )C113 - 262
17X-RAY DIFFRACTION17( CHAIN C AND RESID 263:300 )C263 - 300
18X-RAY DIFFRACTION18( CHAIN C AND RESID 301:505 )C301 - 505
19X-RAY DIFFRACTION19( CHAIN D AND RESID 13:35 )D13 - 35
20X-RAY DIFFRACTION20( CHAIN D AND RESID 36:60 )D36 - 60
21X-RAY DIFFRACTION21( CHAIN D AND RESID 61:153 )D61 - 153
22X-RAY DIFFRACTION22( CHAIN D AND RESID 154:179 )D154 - 179
23X-RAY DIFFRACTION23( CHAIN E AND RESID 3:113 )E3 - 113
24X-RAY DIFFRACTION24( CHAIN E AND RESID 114:262 )E114 - 262
25X-RAY DIFFRACTION25( CHAIN E AND RESID 263:300 )E263 - 300
26X-RAY DIFFRACTION26( CHAIN E AND RESID 301:505 )E301 - 505
27X-RAY DIFFRACTION27( CHAIN F AND RESID 13:26 )F13 - 26
28X-RAY DIFFRACTION28( CHAIN F AND RESID 27:51 )F27 - 51
29X-RAY DIFFRACTION29( CHAIN F AND RESID 52:125 )F52 - 125
30X-RAY DIFFRACTION30( CHAIN F AND RESID 126:153 )F126 - 153
31X-RAY DIFFRACTION31( CHAIN F AND RESID 154:179 )F154 - 179
32X-RAY DIFFRACTION32( CHAIN G AND RESID 2:52 )G2 - 52
33X-RAY DIFFRACTION33( CHAIN G AND RESID 53:164 )G53 - 164
34X-RAY DIFFRACTION34( CHAIN G AND RESID 165:262 )G165 - 262
35X-RAY DIFFRACTION35( CHAIN G AND RESID 263:300 )G263 - 300
36X-RAY DIFFRACTION36( CHAIN G AND RESID 301:435 )G301 - 435
37X-RAY DIFFRACTION37( CHAIN G AND RESID 436:505 )G436 - 505
38X-RAY DIFFRACTION38( CHAIN H AND RESID 11:20 )H11 - 20
39X-RAY DIFFRACTION39( CHAIN H AND RESID 21:32 )H21 - 32
40X-RAY DIFFRACTION40( CHAIN H AND RESID 33:42 )H33 - 42
41X-RAY DIFFRACTION41( CHAIN H AND RESID 43:60 )H43 - 60
42X-RAY DIFFRACTION42( CHAIN H AND RESID 61:85 )H61 - 85
43X-RAY DIFFRACTION43( CHAIN H AND RESID 86:96 )H86 - 96
44X-RAY DIFFRACTION44( CHAIN H AND RESID 97:125 )H97 - 125
45X-RAY DIFFRACTION45( CHAIN H AND RESID 126:143 )H126 - 143
46X-RAY DIFFRACTION46( CHAIN H AND RESID 144:153 )H144 - 153
47X-RAY DIFFRACTION47( CHAIN H AND RESID 154:179 )H154 - 179

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