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- PDB-7plj: Structure of Polyphosphate kinase 2 from Deinococcus radiodurans,... -

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Basic information

Entry
Database: PDB / ID: 7plj
TitleStructure of Polyphosphate kinase 2 from Deinococcus radiodurans, in complex with ATP and polyphosphates.
ComponentsPPK2 domain-containing protein
KeywordsTRANSFERASE / polyphosphate / ATP / kinase
Function / homology
Function and homology information


polyphosphate kinase activity / polyphosphate metabolic process
Similarity search - Function
Polyphosphate:nucleotide phosphotransferase, PPK2 / Polyphosphate phosphotransferase / Polyphosphate kinase-2-related / Polyphosphate kinase 2 (PPK2) / P-loop containing nucleoside triphosphate hydrolase
Similarity search - Domain/homology
TRIPHOSPHATE / Tetraphosphate / ADENOSINE-5'-DIPHOSPHATE / ADENOSINE-5'-TRIPHOSPHATE / DI(HYDROXYETHYL)ETHER / PHOSPHATE ION / PYROPHOSPHATE / Polyphosphate kinase-2-related domain-containing protein
Similarity search - Component
Biological speciesDeinococcus radiodurans (radioresistant)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.64 Å
AuthorsSilva, S.T.N. / Romao, C.V.
Funding support Portugal, 1items
OrganizationGrant numberCountry
Fundacao para a Ciencia e a TecnologiaPTDC/BIA-BQM/31317/2017 Portugal
CitationJournal: To Be Published
Title: Structure of Polyphosphate kinase 2 from Deinococcus radiodurans, in complex with ATP and polyphosphates.
Authors: Silva, S.T.N. / Romao, C.V.
History
DepositionAug 31, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Mar 22, 2023Provider: repository / Type: Initial release
Revision 1.1Feb 7, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: PPK2 domain-containing protein
B: PPK2 domain-containing protein
C: PPK2 domain-containing protein
D: PPK2 domain-containing protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)129,51535
Polymers122,1984
Non-polymers7,31731
Water22,6271256
1
A: PPK2 domain-containing protein
B: PPK2 domain-containing protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)64,76016
Polymers61,0992
Non-polymers3,66114
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: PPK2 domain-containing protein
D: PPK2 domain-containing protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)64,75519
Polymers61,0992
Non-polymers3,65617
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)143.851, 137.144, 85.024
Angle α, β, γ (deg.)90.000, 116.895, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 1 through 64 or resid 66...
d_2ens_1(chain "B" and (resid 1 through 64 or resid 66...
d_3ens_1(chain "C" and (resid 1 through 64 or resid 66...
d_4ens_1(chain "D" and (resid 1 through 64 or resid 66...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1METALAA1 - 64
d_12ens_1ASPHISA66 - 108
d_13ens_1LYSALAA110 - 113
d_14ens_1GLYILEA115 - 149
d_15ens_1HISTHRA151 - 161
d_16ens_1ILEARGA163 - 200
d_17ens_1ASNALAA202 - 213
d_18ens_1THRHISA215 - 266
d_19ens_1ATPATPB
d_110ens_1ATPATPC
d_21ens_1METALAH1 - 64
d_22ens_1ASPHISH66 - 108
d_23ens_1LYSALAH110 - 113
d_24ens_1GLYILEH115 - 149
d_25ens_1HISTHRH151 - 161
d_26ens_1ILEARGH163 - 200
d_27ens_1ASNALAH202 - 213
d_28ens_1THRHISH215 - 266
d_29ens_1ATPATPI
d_210ens_1ATPATPJ
d_31ens_1METALAN1 - 64
d_32ens_1ASPHISN66 - 108
d_33ens_1LYSALAN110 - 113
d_34ens_1GLYILEN115 - 149
d_35ens_1HISTHRN151 - 161
d_36ens_1ILEARGN163 - 200
d_37ens_1ASNALAN202 - 213
d_38ens_1THRHISN215 - 266
d_39ens_1ATPATPO
d_310ens_1ATPATPP
d_41ens_1METALAW1 - 64
d_42ens_1ASPHISW66 - 108
d_43ens_1LYSALAW110 - 113
d_44ens_1GLYILEW115 - 149
d_45ens_1HISTHRW151 - 161
d_46ens_1ILEARGW163 - 200
d_47ens_1ASNALAW202 - 213
d_48ens_1THRHISW215 - 266
d_49ens_1ATPATPX
d_410ens_1ATPATPY

NCS oper:
IDCodeMatrixVector
1given(-0.992245535262, 0.0211731452768, 0.122476510695), (0.013696592912, -0.960756685236, 0.277054137521), (0.123536233938, 0.27658324189, 0.953016531446)-66.6006695585, -18.0896140273, 6.82661009428
2given(0.987778735916, 0.0525324803779, -0.146742997714), (0.0503451707981, -0.998558983994, -0.0185827678657), (-0.147507737594, 0.0109678616689, -0.989000087644)0.46380536257, -16.7556232375, -2.20751619088
3given(-0.997630800574, -0.0680703940983, 0.00996028078741), (-0.0681377960775, 0.957717654526, -0.279524837813), (0.00948822911607, -0.279541259309, -0.960086797041)-67.5150655423, -2.27520611101, 0.523778099686

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Components

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Protein , 1 types, 4 molecules ABCD

#1: Protein
PPK2 domain-containing protein


Mass: 30549.445 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Deinococcus radiodurans (strain ATCC 13939 / DSM 20539 / JCM 16871 / LMG 4051 / NBRC 15346 / NCIMB 9279 / R1 / VKM B-1422) (radioresistant)
Strain: ATCC 13939 / DSM 20539 / JCM 16871 / LMG 4051 / NBRC 15346 / NCIMB 9279 / R1 / VKM B-1422
Gene: DR_0132 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9RY20

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Non-polymers , 10 types, 1287 molecules

#2: Chemical
ChemComp-ATP / ADENOSINE-5'-TRIPHOSPHATE / Adenosine triphosphate


Mass: 507.181 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C10H16N5O13P3 / Feature type: SUBJECT OF INVESTIGATION / Comment: ATP, energy-carrying molecule*YM
#3: Chemical ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE / Adenosine diphosphate


Mass: 427.201 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C10H15N5O10P2 / Feature type: SUBJECT OF INVESTIGATION / Comment: ADP, energy-carrying molecule*YM
#4: Chemical ChemComp-3PO / TRIPHOSPHATE / Polyphosphate


Mass: 257.955 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: H5O10P3 / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical ChemComp-7TT / Tetraphosphate / [oxidanyl(phosphonooxy)phosphoryl] phosphono hydrogen phosphate / [oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate


Mass: 337.935 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: H6O13P4 / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C3H8O3
#7: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg / Feature type: SUBJECT OF INVESTIGATION
#8: Chemical
ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol


Mass: 106.120 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C4H10O3
#9: Chemical ChemComp-PPV / PYROPHOSPHATE / Pyrophosphate


Mass: 177.975 Da / Num. of mol.: 3 / Source method: isolated from a natural source / Formula: H4O7P2 / Feature type: SUBJECT OF INVESTIGATION
#10: Chemical ChemComp-PO4 / PHOSPHATE ION / Phosphate


Mass: 94.971 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: PO4 / Feature type: SUBJECT OF INVESTIGATION
#11: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 1256 / 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: 3.06 Å3/Da / Density % sol: 59.81 %
Crystal growTemperature: 296.15 K / Method: vapor diffusion
Details: 0.04 M potassium phosphate, 2% PEG 8000, 8% glycerol

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID23-2 / Wavelength: 0.8731 Å
DetectorType: DECTRIS PILATUS3 X 2M / Detector: PIXEL / Date: Sep 23, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.8731 Å / Relative weight: 1
ReflectionResolution: 1.64→93.7 Å / Num. obs: 757195 / % possible obs: 91.7 % / Redundancy: 5.6 % / Biso Wilson estimate: 16.4 Å2 / CC1/2: 0.987 / Net I/σ(I): 7.1
Reflection shellResolution: 1.64→1.781 Å / Num. unique obs: 6817 / CC1/2: 0.655

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Processing

Software
NameVersionClassification
autoPROC1.19.2_4158data processing
PHENIX1.19.2_4158refinement
autoPROCdata reduction
STARANISOdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7BMM

7bmm


Resolution: 1.64→40.04 Å / SU ML: 0.1678 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 23.6778
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2016 6816 5 %
Rwork0.1687 129407 -
obs0.1703 136223 75.69 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 21.72 Å2
Refinement stepCycle: LAST / Resolution: 1.64→40.04 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8632 0 439 1256 10327
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01249373
X-RAY DIFFRACTIONf_angle_d1.179612758
X-RAY DIFFRACTIONf_chiral_restr0.06921319
X-RAY DIFFRACTIONf_plane_restr0.01381594
X-RAY DIFFRACTIONf_dihedral_angle_d14.5443456
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.533512689163
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS0.630656493146
ens_1d_4AX-RAY DIFFRACTIONTorsion NCS0.575639977263
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.64-1.660.456460.2039114X-RAY DIFFRACTION2.01
1.66-1.680.2325150.2371294X-RAY DIFFRACTION5.28
1.68-1.70.2454350.2246551X-RAY DIFFRACTION9.84
1.7-1.720.2128380.2351918X-RAY DIFFRACTION15.87
1.72-1.740.2829690.23161364X-RAY DIFFRACTION23.97
1.74-1.760.2852920.24171784X-RAY DIFFRACTION31.3
1.76-1.790.281350.23822336X-RAY DIFFRACTION41.51
1.79-1.820.26451570.24773085X-RAY DIFFRACTION54.09
1.82-1.840.23092200.24183843X-RAY DIFFRACTION67.65
1.84-1.870.27092580.234704X-RAY DIFFRACTION82.67
1.87-1.910.25372590.22365239X-RAY DIFFRACTION92.79
1.91-1.940.24521810.22543745X-RAY DIFFRACTION65.28
1.94-1.980.24762810.20855679X-RAY DIFFRACTION99.52
1.98-2.020.2433350.19295638X-RAY DIFFRACTION99.85
2.02-2.060.23183080.18765702X-RAY DIFFRACTION99.93
2.06-2.110.23342910.19125688X-RAY DIFFRACTION99.93
2.11-2.160.23733010.17825661X-RAY DIFFRACTION99.78
2.16-2.220.21293090.16885673X-RAY DIFFRACTION99.9
2.22-2.290.21582510.17084702X-RAY DIFFRACTION82.37
2.29-2.360.21243170.17165665X-RAY DIFFRACTION99.67
2.36-2.450.21762830.16925709X-RAY DIFFRACTION99.85
2.45-2.540.20692860.17525680X-RAY DIFFRACTION99.72
2.54-2.660.21143190.17525658X-RAY DIFFRACTION99.53
2.66-2.80.19793130.17455645X-RAY DIFFRACTION99.68
2.8-2.980.20022770.17055727X-RAY DIFFRACTION99.67
2.98-3.20.19693110.16125707X-RAY DIFFRACTION99.82
3.21-3.530.1882980.14485702X-RAY DIFFRACTION99.68
3.53-4.040.15792860.12945717X-RAY DIFFRACTION99.55
4.04-5.080.14282880.12675736X-RAY DIFFRACTION99.93
5.09-40.040.18392970.16975741X-RAY DIFFRACTION98.66
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)
10.747626275996-0.670372049122-1.188980390731.608218270351.664225949993.48292330661-0.190839759063-0.158530877437-0.2152314453740.3485687720780.1524327340980.1382114419850.6537678445890.02594132830950.03611194465780.2866166719260.001250596532020.08427938742230.1814189541820.05595849990180.196629044661-38.2612602156-32.092993091832.8301080502
24.992201729810.463221944411-4.717679359071.32701556305-0.08627421181327.72394771870.0637300648941-0.4425013183260.1218819094210.1109427456860.0115103482624-0.0773130262824-0.2723158070280.48314710036-0.02742718624170.102956233177-0.0165656235418-0.001350144214840.125104121568-0.01521792034170.104141947086-24.1601189909-14.475774955231.9037318841
33.664696548030.958224453953-0.03706600808061.09009203747-0.04738847032511.11769383458-0.109061215588-0.00877874139776-0.1309396743220.1054574511390.001111927942180.1307076289040.00799189625432-0.1633738608260.06140260848780.087007055727-0.01639764923280.03982096738820.109406701185-0.001049510214290.0781368438905-37.0725661916-18.167287793622.980004594
40.7361632360730.3509550686751.451765598010.3123166501790.5578180283713.02703422085-0.0339004061256-0.04058582961110.1007280629570.0276301321207-0.03420871288120.056489840936-0.162251641673-0.07823777538390.07207717416440.106488117824-0.02214273669010.02807449267750.10417317858-0.005273524201430.125096561735-35.2765222957-15.474663815811.8711717822
51.63458466941-0.223151184943-0.6517124938571.006577413210.1036506872081.77900659015-0.08448336554420.0102251044533-0.0752706322453-0.0215427336534-0.008647345886670.184415444210.200375747172-0.2167516532370.06583283066210.130137081566-0.04076322194830.03734060299940.10935432768-0.00250049494870.122813575854-40.748482022-28.323102655913.497304953
60.7182883654791.47789043541-1.187116855234.29874933582-0.9985743914583.71829778096-0.00584191711352-0.3507654659190.1700445368740.1882226860740.1727894979360.683836959758-0.419849329946-0.339042863543-0.2180460349580.1319749032750.01295063064350.08802439359590.377967733805-0.03599110096780.271159778323-54.6227018932-12.029179024230.0670653615
71.119178095550.2223279233770.1265646299591.11058454150.3599611438541.31227229377-0.0950467213656-0.129194570073-0.03274726599890.105542895615-0.002084566936030.1876419037590.210168755465-0.2359268398680.0721371609860.122909169349-0.03636768567480.07321231181330.1481995230430.01429882864910.119285778846-41.0086449598-25.613426325326.1933530387
83.882392077972.39520669508-0.2078511346814.39869717550.3228044472540.588439019461-0.1751378863210.2723607492160.211728603198-0.2254452160760.169530033305-0.106866309507-0.0443315668029-0.01452924823660.0002482628475830.06700411980330.00661622542526-0.0008666829532990.1971235879530.03398540510040.175706353116-3.66644287911-6.8600169769821.9872251535
90.8478627366670.1153706863580.5352536724410.4166719490750.1703724946941.00024770972-0.135854983363-0.1659996393360.1889859452940.00618743626056-0.0537168187092-0.00051522304667-0.281903261912-0.2178502441280.09340278532590.1764718515240.0479571340562-0.05628505849460.112430922075-0.0388187831590.150071679443-31.622356047813.253387417327.1174354386
100.594895905747-0.177591511421-0.1270279862430.594693559720.2295683008731.90279021488-0.0441648848206-0.0080100833975-0.03345837970190.0296882632084-0.03037870637320.01831410094040.0274271338155-0.06212867159260.07294217608780.0778132215161-0.00182455113922-0.02850263843730.0677895370121-0.005213530155320.0900569078284-29.54174127251.2373562722612.5357176856
111.68489886806-0.2532587677410.9592228420860.627094697067-0.05550874112851.52809076177-0.06681783350140.06578057092270.0720209238746-0.0581800436704-0.0512686838466-0.0827483274441-0.1717647475150.1451474339330.1116432061320.112922109131-0.0203658144089-0.0451029765170.07265069487520.01827915995830.104991717739-21.507282680610.78247100810.8272554224
122.29110901130.6440567882450.8056621505468.36543664078-2.131345136780.962809437525-0.1097653432970.301991846635-0.0674059434577-0.658270166149-0.11408806562-0.1759764177970.1244655880330.1430992429210.2852817360960.1229788400860.008970513985050.03193409471250.2367001777310.03483180629610.169994373496-8.119766221650.66499991255419.3331170451
130.442882499747-0.1954344375230.03170761522090.931639621217-0.1138432967170.898732060962-0.119537998852-0.03643988910220.03183432741050.039815121876-0.02771625185530.148208974683-0.22999218763-0.2017231195830.06686460820660.08288271302360.0341517738632-0.03796600383860.13146058777-0.04627311853510.112965368517-35.229363119.0429828624421.6208858036
141.026577540460.309146765517-1.034066341792.56545665892-2.095533361186.22197545504-0.05702988197040.133699130998-0.228460454677-0.4254895542030.00182375516896-0.1227329759720.6083153856680.076852769860.01467842144470.228428322781-0.007640682189840.02709919738860.0965037871879-0.04565488120790.1784522717-26.780147075-39.7579278988-22.3110805938
155.04359915853-1.61361883275-3.811315586871.897634940461.447449726043.46796321355-0.01884708945960.502197296584-0.188974131159-0.399127576209-0.1867599877720.38623704940.128647446611-0.4428790744930.171138361970.2153884638530.0119701833007-0.07439050866390.172807760692-0.001334692555430.149846685145-42.1890726062-23.7579300287-26.3473803467
160.999664834051-0.05252891743510.4423529687940.8320655011720.3576913290811.712454389420.01063920068820.06032214053180.0635359098617-0.0977568537582-0.01653412437940.0536746213988-0.114049982210.02847130226410.01240389622330.0980733472637-0.02121245278980.01326520716380.06487081807730.004795665986110.100198996306-30.5328564088-19.6749059747-10.0545140873
175.02560886522-0.155074340906-0.3047893421221.32844136613-0.1559701074521.89813032633-0.13727270824-0.110532301665-0.05549628779660.09451398516530.0145800804627-0.07797511410510.1268550691020.1823423642460.1089149899610.142859508868-0.01660672435230.01841525674580.072678062716-0.01026652655210.0793446876676-23.1969318411-30.2752936365-1.88408310588
181.017774271670.889220163707-0.5115302293031.45746559837-0.7028794031670.4788036457-0.0134546608982-0.0507949129397-0.0589827456837-0.188049397001-0.0983214994728-0.2064599461170.07782749826850.1589662376260.09808710845750.1227470607370.0125801694450.04562839110670.1811210647290.008977653620930.100666397728-16.1797168053-23.1314862616-20.9288912017
190.9682330685140.0007760717667990.4176448063421.30311005001-0.5223859549251.527404114630.02009898882420.101134154186-0.0503276899859-0.146132889317-0.03990670044790.05570824790590.1738207773490.07485656931370.02028879060870.137201270576-0.004364042609620.01545629004280.0709587477579-0.03289542025910.0954840481191-27.7961174198-32.6934422072-18.2115600082
201.3180635841-0.873342520241.03131108920.70078358026-0.8062740808420.9267085678840.0156527473710.00526994213154-0.4003957038650.03660178133430.2230831471670.923827740501-0.0894402234715-0.379166189947-0.1015858996590.104154852251-0.00669367409597-0.0406265751090.391802555270.08330647287170.593781730756-63.1569074038-14.69173891-18.1764742896
210.707475596090.1826011422510.6265228251570.982917818290.2100317181161.23591083552-0.06332961602870.265099865820.0730136153232-0.146712572134-0.04638072174050.103858872437-0.1759017230170.06819341918280.05637332366980.130892743211-0.0107211762707-0.01910189693030.1303998884890.03479212444790.0905849751766-36.57471054595.00703472877-29.5269109744
220.425222816958-0.105837817623-0.2593831861190.538703375750.06463796115081.43516778367-0.01026257665030.0237304203429-0.0376224955922-0.0323676429595-0.04548068528280.02703733918750.0663839897765-0.03095194294540.05196105948330.08563627889670.00782308166043-0.02993718222980.0963810337458-0.001583937041180.0981631758175-37.9835160112-2.58600793045-12.0237636841
231.779565572030.4408930056941.045214063990.7288649613980.1514356379741.41316914818-0.04588837245010.02826941274290.07669537208220.0123824365905-0.0384965638650.0794217784016-0.155980261564-0.1162916593930.09011167451440.1148595228610.0317557865419-0.03780025668780.101551188345-0.008629139397060.100978881345-46.44267941026.64880988044-12.9982891458
242.583310201331.603097533071.377406357724.644660863751.353675859131.24394470644-0.00805460839781-0.0989963675969-0.005255579356440.013481868228-0.09962064051970.428315611375-0.0406309447983-0.3229260809450.1080725040910.1536208568610.0357823642601-0.002196065270580.236967044362-0.02216797801130.118239346984-56.25302350711.86771436122-17.2458613537
251.14985884057-0.642330249384-0.2186535501180.705240483410.131509061990.23542467861-0.09649261770130.08374928312940.0632896787011-0.1577489700080.0504754149507-0.104649759406-0.08657136984520.05695564276950.02376322079150.0899579938688-0.008168415447520.004692904854640.1140745202090.0165326117560.0775864028427-27.07586852560.0116714453153-25.1810397516
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'B' and (resid 1 through 28 )BH1 - 281 - 28
22chain 'B' and (resid 29 through 53 )BH29 - 5329 - 53
33chain 'B' and (resid 54 through 76 )BH54 - 7654 - 76
44chain 'B' and (resid 77 through 121 )BH77 - 12177 - 121
55chain 'B' and (resid 122 through 171 )BH122 - 171122 - 171
66chain 'B' and (resid 172 through 193 )BH172 - 193172 - 193
77chain 'B' and (resid 194 through 249 )BH194 - 249194 - 249
88chain 'B' and (resid 250 through 266 )BH250 - 266250 - 266
99chain 'A' and (resid 1 through 53 )AA1 - 531 - 53
1010chain 'A' and (resid 54 through 121 )AA54 - 12154 - 121
1111chain 'A' and (resid 122 through 184 )AA122 - 184122 - 184
1212chain 'A' and (resid 185 through 202 )AA185 - 202185 - 202
1313chain 'A' and (resid 203 through 266 )AA203 - 266203 - 266
1414chain 'C' and (resid 1 through 28 )CN1 - 281 - 28
1515chain 'C' and (resid 29 through 53 )CN29 - 5329 - 53
1616chain 'C' and (resid 54 through 121 )CN54 - 12154 - 121
1717chain 'C' and (resid 122 through 159 )CN122 - 159122 - 159
1818chain 'C' and (resid 160 through 202 )CN160 - 202160 - 202
1919chain 'C' and (resid 203 through 249 )CN203 - 249203 - 249
2020chain 'C' and (resid 250 through 266 )CN250 - 266250 - 266
2121chain 'D' and (resid 1 through 53 )DW1 - 531 - 53
2222chain 'D' and (resid 54 through 121 )DW54 - 12154 - 121
2323chain 'D' and (resid 122 through 184 )DW122 - 184122 - 184
2424chain 'D' and (resid 185 through 216 )DW185 - 216185 - 216
2525chain 'D' and (resid 217 through 266 )DW217 - 266217 - 266

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