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- PDB-7sts: Crystal Structure of Human Fab S24-1379 in the Complex with the N... -

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Basic information

Entry
Database: PDB / ID: 7sts
TitleCrystal Structure of Human Fab S24-1379 in the Complex with the N-teminal Domain of Nucleocapsid Protein from SARS CoV-2
Components
  • Fab S24-1379, heavy chain
  • Fab S24-1379, light chain
  • Nucleoprotein
KeywordsVIRAL PROTEIN/IMMUNE SYSTEM / SARS Coronavirus 2 / Nucleocapsid protein / Human antibody Fab / COVID-19 / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID / VIRAL PROTEIN / VIRAL PROTEIN-IMMUNE SYSTEM complex
Function / homology
Function and homology information


cytoplasmic capsid assembly / response to host immune response / viral RNA genome packaging / negative regulation of interferon-beta production / Maturation of nucleoprotein / intracellular membraneless organelle / positive regulation of NLRP3 inflammasome complex assembly / MHC class I protein binding / CD28 dependent PI3K/Akt signaling / SARS-CoV-2 targets host intracellular signalling and regulatory pathways ...cytoplasmic capsid assembly / response to host immune response / viral RNA genome packaging / negative regulation of interferon-beta production / Maturation of nucleoprotein / intracellular membraneless organelle / positive regulation of NLRP3 inflammasome complex assembly / MHC class I protein binding / CD28 dependent PI3K/Akt signaling / SARS-CoV-2 targets host intracellular signalling and regulatory pathways / protein sequestering activity / VEGFR2 mediated vascular permeability / molecular condensate scaffold activity / NOD1/2 Signaling Pathway / TAK1-dependent IKK and NF-kappa-B activation / DDX58/IFIH1-mediated induction of interferon-alpha/beta / MHC class I protein complex / Interleukin-1 signaling / RNA stem-loop binding / Interferon alpha/beta signaling / PIP3 activates AKT signaling / viral capsid / Transcription of SARS-CoV-2 sgRNAs / host cell endoplasmic reticulum-Golgi intermediate compartment / viral nucleocapsid / host cell Golgi apparatus / Translation of Structural Proteins / Virion Assembly and Release / host extracellular space / Induction of Cell-Cell Fusion / Attachment and Entry / host cell perinuclear region of cytoplasm / ribonucleoprotein complex / SARS-CoV-2 activates/modulates innate and adaptive immune responses / protein homodimerization activity / RNA binding / extracellular region / identical protein binding / cytoplasm
Similarity search - Function
Nucleocapsid protein, betacoronavirus / Nucleocapsid protein, coronavirus / Nucleocapsid protein, C-terminal / Nucleocapsid protein, N-terminal / Nucleocapsid (N) protein, C-terminal domain, coronavirus / Nucleocapsid (N) protein, N-terminal domain, coronavirus / Coronavirus nucleocapsid / Coronavirus nucleocapsid (CoV N) protein N-terminal (NTD) domain profile. / Coronavirus nucleocapsid (CoV N) protein C-terminal (CTD) domain profile.
Similarity search - Domain/homology
Biological speciesHomo sapiens (human)
Severe acute respiratory syndrome coronavirus 2
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.16 Å
AuthorsKim, Y. / Maltseva, N. / Tesar, C. / Jedrzejczak, R. / Dugan, H. / Stamper, C. / Wilson, P. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) United States
CitationJournal: Iscience / Year: 2024
Title: Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Authors: Kim, Y. / Maltseva, N. / Tesar, C. / Jedrzejczak, R. / Endres, M. / Ma, H. / Dugan, H.L. / Stamper, C.T. / Chang, C. / Li, L. / Changrob, S. / Zheng, N.Y. / Huang, M. / Ramanathan, A. / ...Authors: Kim, Y. / Maltseva, N. / Tesar, C. / Jedrzejczak, R. / Endres, M. / Ma, H. / Dugan, H.L. / Stamper, C.T. / Chang, C. / Li, L. / Changrob, S. / Zheng, N.Y. / Huang, M. / Ramanathan, A. / Wilson, P. / Michalska, K. / Joachimiak, A.
History
DepositionNov 15, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 10, 2022Provider: repository / Type: Initial release
Revision 2.0Aug 17, 2022Group: Advisory / Atomic model / Category: atom_site / pdbx_unobs_or_zero_occ_residues / Item: _atom_site.occupancy
Revision 2.1Feb 28, 2024Group: Data collection / Database references
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / 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
Revision 2.2Apr 3, 2024Group: Refinement description / Category: pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Fab S24-1379, heavy chain
B: Fab S24-1379, light chain
C: Nucleoprotein
D: Nucleoprotein
H: Fab S24-1379, heavy chain
L: Fab S24-1379, light chain


Theoretical massNumber of molelcules
Total (without water)120,0926
Polymers120,0926
Non-polymers00
Water1,62190
1
A: Fab S24-1379, heavy chain
B: Fab S24-1379, light chain
D: Nucleoprotein


Theoretical massNumber of molelcules
Total (without water)60,0463
Polymers60,0463
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Nucleoprotein
H: Fab S24-1379, heavy chain
L: Fab S24-1379, light chain


Theoretical massNumber of molelcules
Total (without water)60,0463
Polymers60,0463
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)99.084, 99.084, 221.890
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number152
Space group name H-MP3121
Space group name HallP312"
Symmetry operation#1: x,y,z
#2: -y,x-y,z+1/3
#3: -x+y,-x,z+2/3
#4: x-y,-y,-z+2/3
#5: -x,-x+y,-z+1/3
#6: y,x,-z

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Components

#1: Antibody Fab S24-1379, heavy chain


Mass: 23269.016 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293 / Production host: Homo sapiens (human)
#2: Antibody Fab S24-1379, light chain


Mass: 22472.822 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293 / Production host: Homo sapiens (human)
#3: Protein Nucleoprotein / N / Nucleocapsid protein / NC / Protein N


Mass: 14303.961 Da / Num. of mol.: 2 / Fragment: N-terminal RNA binding domain, residues 47-173
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2
Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / Variant (production host): Gold / References: UniProt: P0DTC9
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 90 / Source method: isolated from a natural source / Formula: H2O

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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: 2.62 Å3/Da / Density % sol: 53.02 %
Crystal growTemperature: 289 K / Method: vapor diffusion, sitting drop / pH: 8
Details: 0.2 M Calcium chloride, 0.1 M Tris pH 8.0, 20 % (w/v) PEG 6000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.97918 Å
DetectorType: DECTRIS PILATUS3 X 6M / Detector: PIXEL / Date: Apr 14, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97918 Å / Relative weight: 1
ReflectionResolution: 2.16→55.46 Å / Num. obs: 68533 / % possible obs: 100 % / Redundancy: 14.6 % / Biso Wilson estimate: 48.9 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.088 / Net I/σ(I): 17.5
Reflection shellResolution: 2.16→2.2 Å / Redundancy: 8.3 % / Rmerge(I) obs: 2.21 / Mean I/σ(I) obs: 1.1 / Num. unique obs: 3330 / CC1/2: 0.334 / % possible all: 98.3

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Processing

Software
NameVersionClassification
PHENIX1.19_4092refinement
HKL-3000data reduction
HKL-3000data scaling
xia2data reduction
HKL-3000phasing
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: swisss model

Resolution: 2.16→49.54 Å / Cross valid method: FREE R-VALUE / σ(F): 2.63 / Phase error: 23.4689
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2086 3543 5.18 %
Rwork0.1898 64814 -
obs0.1996 68357 99.76 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 58.32 Å2
Refinement stepCycle: LAST / Resolution: 2.16→49.54 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8133 0 0 90 8223
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00228373
X-RAY DIFFRACTIONf_angle_d0.526811436
X-RAY DIFFRACTIONf_chiral_restr0.04181269
X-RAY DIFFRACTIONf_plane_restr0.00481468
X-RAY DIFFRACTIONf_dihedral_angle_d14.00582994
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.16-2.20.26061850.27143149X-RAY DIFFRACTION93.22
2.2-2.240.3161660.26843167X-RAY DIFFRACTION94.2
2.24-2.280.3041810.28673196X-RAY DIFFRACTION94.28
2.28-2.330.31441910.27333164X-RAY DIFFRACTION94.22
2.33-2.380.28641570.28663246X-RAY DIFFRACTION95.3
2.38-2.430.2671720.27993195X-RAY DIFFRACTION94.47
2.43-2.490.32551830.27173186X-RAY DIFFRACTION94.18
2.49-2.560.28661740.26743208X-RAY DIFFRACTION94.58
2.56-2.640.34061460.25873229X-RAY DIFFRACTION95.56
2.64-2.720.22781490.25933248X-RAY DIFFRACTION95.53
2.72-2.820.29921870.24763248X-RAY DIFFRACTION94.34
2.82-2.930.24181750.23713198X-RAY DIFFRACTION94.73
2.93-3.060.22781870.23083248X-RAY DIFFRACTION94.47
3.06-3.230.26671610.21623250X-RAY DIFFRACTION95.25
3.23-3.430.20111810.21863250X-RAY DIFFRACTION94.7
3.43-3.690.2271790.21733285X-RAY DIFFRACTION94.83
3.69-4.060.24061880.18653234X-RAY DIFFRACTION94.51
4.06-4.650.18571710.15443311X-RAY DIFFRACTION94.98
4.65-5.860.14042040.13143321X-RAY DIFFRACTION94.21
5.86-49.540.20922000.17633487X-RAY DIFFRACTION94.47
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)
13.31990301704-1.84037121164-0.7887155964492.335925929010.05366873660481.450141909830.05278915477290.2546596193280.309993447914-0.3672337965220.10070883097-0.586662048023-0.504931469032-0.0712330261217-0.2829656256520.493494920280.08007106547680.132694074640.4822387502480.006222845356810.48986039933152.4804419705-42.793627039-26.984421194
23.87848409129-2.41013898904-0.006387312594122.93091532896-0.09132407389432.247895918410.3160808017630.740198140390.485345926412-0.4365015980580.0408147070938-0.357798954401-0.10621134294-0.0195979953565-0.3120638849960.394119990116-0.005016841774910.07975946352780.5011869923810.09725869530920.49438799020542.2021235419-39.1487022795-25.2380738746
34.33399107276-2.16534058178-0.5770705732235.03825536056-0.02999433088352.510595917260.1333895074-0.1298632141980.6855763110340.0006571719814980.0880541517071-0.559380476728-0.4351398184220.127225452788-0.3075141218370.272754104193-0.06403860316630.07078177599890.36670912644-0.02399905210980.5654653668744.4126227009-35.5839406241-17.3264269554
42.91944361957-1.52940676704-0.9644946673152.407761338350.1248512472940.4591962212160.181977269602-0.1581753859381.36346344204-0.1901820752550.173635181345-1.41449560254-0.5318893524910.48062688196-0.3298905623730.42340678920.04881392739120.08405752717170.530581208001-0.07513696926811.0338144195150.0606331236-31.2121266522-18.8610286234
53.26629904947-1.7857123088-1.864807783193.794431665390.1928775705631.308930637410.4770436696770.8307389821280.912971669947-0.62708215693-0.400565143732-0.0863604237636-0.1200049409830.0570205357092-0.2550595878010.5119910536320.1073142905820.2795681417480.4970096850250.2041736817570.79969137254945.6931161328-35.096928074-30.1384143771
62.61885737552-1.1746151614-0.2962420000483.297513706650.1772748962091.786436847250.2389965106980.6102250971730.405938503805-0.179161852822-0.0393628758146-0.4216347243550.007844548965090.144625784348-0.2676256446320.323996129415-0.0325331648140.06562762644310.3151884210330.06340608761010.42682587439943.7889054627-42.3207583863-19.7511349188
72.68384574761-1.94795660466-0.8766924634231.971879593350.1129930514280.9200615878710.1727766777690.01411787903370.3920975650250.0588768167338-0.144034634889-0.244827718151-0.309797601260.795139289317-0.3688787055390.333620030450.0752617554930.03424311691820.622756550919-0.04040494463390.58995185787163.513082477-48.7152731766-25.4290031252
83.67379961661-0.691876338137-1.212688725313.14187589815-0.4211605342551.094231090370.01795447841660.522217070921-0.383872101783-0.4750581044750.0427186537714-0.4152366725240.4806674866510.267790892036-0.1513771790730.5532133178160.0245030733377-0.2226658656670.5037413459580.08559226794050.6479441915661.9691409554-70.0143941299-28.4987141745
92.73091972388-1.316625901890.5231196396280.735133288549-0.7358764518424.675582876840.157934086634-0.1856542286520.146478480509-0.600277780514-0.09687369250420.817382175240.87403563557-0.219731213703-0.2454962949740.471658846492-0.0691735625666-0.2236403953560.5201110401520.1187943496640.9332743490753.1390077281-63.6593323356-28.9152195278
101.965119634190.6069457091580.25624288331.11387789683-0.6793267994762.65682974634-0.0739651985999-0.5759280431230.475355767699-0.2584726006390.07160798622130.108191404364-0.008829553958380.130231781535-0.1913741578230.280356737706-0.00482616091975-0.02056226174570.584087486816-0.0679205335450.88532681318965.2934177887-59.7935443016-19.3250011853
112.75449518232-1.61633367404-1.930167398153.42104991788-1.808361369864.839814907960.3318126317540.0798428291801-0.350365103844-0.6855933010860.1601798921130.371753227231.51850185945-0.759653945983-0.4331487952160.774049723087-0.167279820148-0.386745920550.5731913747980.1817013339210.74281134560456.4232835593-67.7251037261-30.0085352319
124.81062282024-0.9519515202921.100065768410.795298052235-1.980399355635.586347732910.2162348993880.542911068107-0.0412383898476-1.63869487874-0.04871668622211.335097007190.652946443924-0.321008912003-0.5978219503990.603105301822-0.132734896346-0.09355552657930.6905793409750.1637369917260.58558262334960.7953719367-64.874325097-36.1622882715
132.22961954123-2.968139798060.3106290458715.251595165460.1998951817644.26768706105-0.451081359623-0.1791746226210.08124384541510.5781867653820.716621931943-0.293821526370.4772572955740.471700232667-0.2085806139820.3913714107480.1205946115230.01461571307360.5703708969450.01936262669030.3723260280339.0236818463-52.48013443140.211554689754
143.01018835847-1.23963702265-0.4260204800350.8085031401380.6959833419321.14320153819-0.191171999766-0.183834143653-0.2979934266020.1220320353780.2474992224840.1494944166830.1287118737790.0874305357492-0.05585656305290.301159007611-0.0120480381753-0.02023036201990.3582331169360.04054010151390.41400947344137.6232589145-51.3317880905-8.23709992717
152.450909131570.349570340033-1.760545078952.41686960613-0.8066069563984.628213067-0.202545030225-0.0851554150832-0.1230585309170.33735938805-0.137418643223-0.300572851054-0.313739257628-0.2507034896490.3034318610950.5228212249740.124066255909-0.1544747465260.548629042932-0.06039509109940.68133868636765.4197589667-73.8746645989-16.3925602437
164.69991230769-6.17450933575-1.064834562079.200820438861.705040848433.6751631267-0.624437098114-0.169449164260.9740047858110.1072204494730.124501687412-0.417127075751-0.575560150635-0.0319413955290.4109764601310.34130329619-0.0671469381846-0.09903204132360.382142740313-0.09312442409550.80660385490126.7977438828-14.732335579212.4763026682
170.05660786520310.2792339137180.2037453280782.702856191113.37860702325.06989117771-0.304396843486-0.6955377701520.628870919880.666123462765-0.3835164134820.8356359800060.122654546671-0.949764286220.6475127221450.5349626049390.234846453017-0.1724666699440.663115478162-0.2578327876430.8811969475712.3569983573-13.491473657515.3612500998
184.032589533290.443043163837-1.89071616372.426063925360.4091501715131.44348485212-0.246978267651-0.3245065817570.0996461366281-0.0288104725027-0.1803494168650.133413490635-0.1424316108050.01434245422040.296092433790.3394269764660.0445768203023-0.07525670285750.389210393459-0.04694601062870.68120694318623.4730990992-21.109561457212.2224337547
193.59352569443-2.718798875843.286602524412.57276072295-3.717337980495.922613781170.0687865593062-0.48506163421-0.2262849287980.6095196968980.150992006380.459519643957-0.177712973432-0.590300279306-0.07712417432480.463596631247-0.04605342666170.07425067159130.490329168823-0.01350490966280.67369101205318.3877100589-24.78198957220.8815768721
201.964107250581.548870686821.163254013265.32617261333-0.8210829410535.61720049919-0.289055996834-0.209893556411-0.7248751268550.08686432141520.9123446286410.5609664978450.189224799952-0.696227919662-0.5528707881940.5044785562950.00826951495594-0.08357390086740.361414615360.08760589846510.79592433337821.4303579137-32.643304254310.6074340264
213.189456096021.048292632430.4985196576941.74120984927-1.147065933741.28810950024-0.144250888270.2455057245060.01855115896590.1132396450060.0188217463450.524593251971-0.218398098851-0.07561850901490.006778468859660.3489717599120.01701106997580.002746348084480.312643920599-0.1216670079760.76990899152424.9627928678-15.90851648248.32404511642
223.10320021469-0.3536507750570.1902512621052.577568313150.4740563585833.888727098160.3733300608740.01255472694450.824834755612-0.235960653885-0.292431443791-0.393036369455-0.130556307995-0.1676033360430.02847905059110.429840108862-0.00250654375420.183013226380.3375127359720.02052353710650.75254076022122.0813640778-16.4108379902-13.3116854766
230.05344171612890.08721368352970.1320907547080.2903983755730.5621827645391.1196780744-0.050672764930.42275944657-0.606882176233-0.7871367269010.09757956261640.4655823616940.1190518248970.229444659729-0.4369041643321.040919913860.202426786676-0.140737936860.846149423237-0.01101856390720.7147195880548.04885924489-31.800472029-27.0031549337
240.583671461933-0.562065243596-0.2548821048411.2124760078-0.3588264979840.7197789827870.360222121299-0.05152527560950.822217237991-0.316541618003-0.0925004293415-0.875670481984-0.325130771953-0.0272033617658-0.2580671230470.510475393388-0.03256716553520.2232441567830.3927900625460.06730333011820.89122901412425.1670326567-17.135821019-15.0619341904
252.623264730510.554056034082-1.119905776065.41794314582.459117624763.649131407390.241789543724-0.3245557000790.006932521577841.35789748531-0.101838798451-1.562563217630.5120201808290.0454211986887-0.1039149990510.357538635202-0.0179140671185-0.1026984205810.3700226675660.05875147639950.44381044685158.6075833624-32.459908710125.8642679809
261.352521552650.180007864653-0.4320747292152.59981367310.1459221327562.068198928190.0559232960635-0.128141750794-0.2187381602310.08843233749140.0009868027635990.5422210913140.00342799243371-0.0346278335779-0.06518633628480.360681948166-0.00717578113546-0.05049116820680.2848714650290.07036906851480.52287513488449.4402509337-27.032109067120.2343168331
272.25542161886-0.4936009772810.09083443969592.23828544954-0.3466503826521.134125828880.01407371764280.0103987834681-0.1232616234130.1683234061380.07470760718210.184708270961-0.01167136665820.029370874773-0.1008891961880.322382450028-0.024932582492-0.02775452477810.2987832743840.05990644059790.51856217827351.3336650465-29.066672916820.2467175464
282.962669700420.4012565225210.2468503013280.306328499227-0.2279333438110.6114384131370.024079908213-0.1468278737960.167859914043-0.08737494086770.0496066056796-0.09215636567190.07414388681160.0843878969047-0.07889414899850.38979130230.0459875611847-0.003973498345150.364474061945-0.01546355864170.47963346073279.0162773039-28.741919108825.8459478064
290.772832733291-1.14228366402-0.5558804543862.045058261240.54788935363.63213281120.215831105687-0.6585157403620.631108826717-0.0398367682414-0.269937382152-0.588807891043-0.6039214485160.07167873390990.01655495138630.443569536455-0.009309033399270.001926778009080.439112896014-0.1537931845150.7158738295485.2485972457-19.975940582130.9777935935
305.527725588792.593773858360.0248428009483.16631065653-0.1018244526591.90203833016-0.242546179361-0.627904949293-0.07958517855920.1601238453550.446344546161-0.622234935102-0.169364813453-0.169562783181-0.2881458903090.4873579454750.0371898904930.03058032188670.560453227584-0.06202739821160.73314267213581.7085482709-27.655532635735.3328108483
313.22347257846-0.849471587515-0.9154586138823.13457223654-0.3653165309413.76712637974-0.02120860694530.192598160831-0.0834235494651-0.657497854815-0.1551763518560.4200617541620.1224395384860.168865535860.09233897110060.4246355668070.04585315590790.02577696327450.323702003376-0.01398755891190.42374842998360.9283367176-14.6888350416-0.436509889299
322.22518900371-0.213349887554-0.2186489318991.088771403820.5350307233391.253939097050.111388238025-0.0144648516154-0.0774567881729-0.105112425629-0.02849149973810.0201135832969-0.03125323848120.0863198379959-0.09437771708650.334466601735-0.009680365210940.0002538819763670.2799064493650.0224134547280.43558520986753.8452744164-14.1859957177.60629110776
332.04201333551-0.135010186655-0.1493772641540.907510283791-0.377517804780.3605716219140.07102665413330.1279584058470.13946580706-0.0372932887138-0.0849019420859-0.0253362866296-0.02696274349790.3459699487060.03804942421570.3513733152210.014422962477-0.01857426525420.388948445485-0.1320447011320.56135220421486.9770611049-22.921377019115.4471845383
341.368022013190.791394381485-0.5602709021090.7132111787310.1080366640141.806995594470.05629245402590.128929302578-0.339593445186-0.182115314597-0.11158234966-0.00669099584010.3263887614530.1282631464760.002965521050640.3627814081440.005538888124250.0004275453356610.342140591985-0.0647260324170.53821652194689.8572678475-28.798818446415.750980212
351.283719300371.145770814130.2624655447891.49473920788-1.230216929174.61145268592-0.2474253447831.080264027370.00298539619789-0.202503659407-0.318090951121-0.8209205645020.1356910268741.103156400660.4781401551320.415509973214-0.04376586017910.07761020538430.607490198019-0.1682698498410.81124183997498.3258184968-24.615764311812.8215578859
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1 through 17 )AA1 - 171 - 17
22chain 'A' and (resid 18 through 39 )AA18 - 3918 - 39
33chain 'A' and (resid 40 through 59 )AA40 - 5940 - 59
44chain 'A' and (resid 60 through 72 )AA60 - 7260 - 72
55chain 'A' and (resid 73 through 82 )AA73 - 8273 - 82
66chain 'A' and (resid 83 through 110 )AA83 - 11083 - 110
77chain 'A' and (resid 111 through 123 )AA111 - 123111 - 123
88chain 'A' and (resid 124 through 149 )AA124 - 149124 - 142
99chain 'A' and (resid 150 through 169 )AA150 - 169143 - 162
1010chain 'A' and (resid 170 through 179 )AA170 - 179163 - 172
1111chain 'A' and (resid 180 through 204 )AA180 - 204173 - 190
1212chain 'A' and (resid 205 through 218 )AA205 - 218191 - 204
1313chain 'B' and (resid 1 through 23 )BB1 - 231 - 23
1414chain 'B' and (resid 24 through 122 )BB24 - 12224 - 122
1515chain 'B' and (resid 123 through 212 )BB123 - 212123 - 212
1616chain 'C' and (resid 4 through 13 )CC4 - 131 - 10
1717chain 'C' and (resid 14 through 23 )CC14 - 2311 - 20
1818chain 'C' and (resid 24 through 72 )CC24 - 7221 - 55
1919chain 'C' and (resid 73 through 89 )CC73 - 8956 - 72
2020chain 'C' and (resid 90 through 99 )CC90 - 9973 - 82
2121chain 'C' and (resid 100 through 128 )CC100 - 12883 - 111
2222chain 'D' and (resid 4 through 45 )DD4 - 451 - 42
2323chain 'D' and (resid 46 through 61 )DD46 - 6143 - 58
2424chain 'D' and (resid 62 through 128 )DD62 - 12859 - 125
2525chain 'H' and (resid 1 through 17 )HE1 - 171 - 17
2626chain 'H' and (resid 18 through 59 )HE18 - 5918 - 59
2727chain 'H' and (resid 60 through 110 )HE60 - 11060 - 110
2828chain 'H' and (resid 111 through 179 )HE111 - 179111 - 171
2929chain 'H' and (resid 180 through 204 )HE180 - 204172 - 196
3030chain 'H' and (resid 205 through 218 )HE205 - 218197 - 210
3131chain 'L' and (resid 1 through 23 )LF1 - 231 - 23
3232chain 'L' and (resid 24 through 101 )LF24 - 10124 - 101
3333chain 'L' and (resid 102 through 154 )LF102 - 154102 - 154
3434chain 'L' and (resid 155 through 191 )LF155 - 191155 - 191
3535chain 'L' and (resid 192 through 212 )LF192 - 212192 - 212

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