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- PDB-6wer: DENV2 NS1 in complex with neutralizing 2B7 Fab fragment -

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Basic information

Entry
Database: PDB / ID: 6wer
TitleDENV2 NS1 in complex with neutralizing 2B7 Fab fragment
Components
  • 2B7 Fab heavy chain
  • 2B7 Fab light chain
  • Non-structural protein 1
KeywordsVIRAL PROTEIN / Flavivirus NS1 / Antibody / Fab fragment
Function / homology
Function and homology information


flavivirin / symbiont-mediated suppression of host JAK-STAT cascade via inhibition of host TYK2 activity / host cell mitochondrion / symbiont-mediated suppression of host JAK-STAT cascade via inhibition of STAT2 activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of MAVS activity / ribonucleoside triphosphate phosphatase activity / viral capsid / double-stranded RNA binding / nucleoside-triphosphate phosphatase / channel activity ...flavivirin / symbiont-mediated suppression of host JAK-STAT cascade via inhibition of host TYK2 activity / host cell mitochondrion / symbiont-mediated suppression of host JAK-STAT cascade via inhibition of STAT2 activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of MAVS activity / ribonucleoside triphosphate phosphatase activity / viral capsid / double-stranded RNA binding / nucleoside-triphosphate phosphatase / channel activity / monoatomic ion transmembrane transport / clathrin-dependent endocytosis of virus by host cell / mRNA (guanine-N7)-methyltransferase / methyltransferase cap1 / methyltransferase cap1 activity / mRNA 5'-cap (guanine-N7-)-methyltransferase activity / RNA helicase activity / protein dimerization activity / host cell perinuclear region of cytoplasm / host cell endoplasmic reticulum membrane / RNA helicase / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / symbiont-mediated activation of host autophagy / RNA-directed RNA polymerase / serine-type endopeptidase activity / viral RNA genome replication / RNA-directed RNA polymerase activity / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell nucleus / virion membrane / structural molecule activity / ATP hydrolysis activity / proteolysis / extracellular region / ATP binding / metal ion binding / membrane
Similarity search - Function
Flavivirus capsid protein C superfamily / Flavivirus non-structural protein NS2B / Genome polyprotein, Flavivirus / : / Flavivirus non-structural protein NS4A / Flavivirus non-structural protein NS2B / Flavivirus non-structural protein NS4B / mRNA cap 0/1 methyltransferase / Flavivirus non-structural protein NS4B / Flavivirus non-structural protein NS4A ...Flavivirus capsid protein C superfamily / Flavivirus non-structural protein NS2B / Genome polyprotein, Flavivirus / : / Flavivirus non-structural protein NS4A / Flavivirus non-structural protein NS2B / Flavivirus non-structural protein NS4B / mRNA cap 0/1 methyltransferase / Flavivirus non-structural protein NS4B / Flavivirus non-structural protein NS4A / Flavivirus NS2B domain profile. / mRNA cap 0 and cap 1 methyltransferase (EC 2.1.1.56 and EC 2.1.1.57) domain profile. / Flavivirus non-structural protein NS2A / Flavivirus non-structural protein NS2A / Flavivirus NS3, petidase S7 / Peptidase S7, Flavivirus NS3 serine protease / Flavivirus NS3 protease (NS3pro) domain profile. / RNA-directed RNA polymerase, thumb domain, Flavivirus / Flavivirus RNA-directed RNA polymerase, thumb domain / RNA-directed RNA polymerase, flavivirus / Flavivirus RNA-directed RNA polymerase, fingers and palm domains / Flavivirus capsid protein C / Flavivirus capsid protein C / Flavivirus non-structural Protein NS1 / Flavivirus non-structural protein NS1 / Envelope glycoprotein M, flavivirus / Envelope glycoprotein M superfamily, flavivirus / Flavivirus envelope glycoprotein M / Flavivirus polyprotein propeptide / Flavivirus polyprotein propeptide superfamily / Flavivirus polyprotein propeptide / Flavivirus envelope glycoprotein E, stem/anchor domain / : / Flavivirus NS3 helicase, C-terminal helical domain / Flavivirus envelope glycoprotein E, Stem/Anchor domain / Flavivirus envelope glycoprotein E, Stem/Anchor domain superfamily / Flavivirus glycoprotein E, immunoglobulin-like domain / Flavivirus glycoprotein, immunoglobulin-like domain / Flavivirus glycoprotein central and dimerisation domain / Flavivirus glycoprotein, central and dimerisation domains / Flaviviral glycoprotein E, central domain, subdomain 1 / Flaviviral glycoprotein E, central domain, subdomain 2 / Ribosomal RNA methyltransferase, FtsJ domain / FtsJ-like methyltransferase / Flavivirus/Alphavirus glycoprotein, immunoglobulin-like domain superfamily / Flavivirus glycoprotein, central and dimerisation domain superfamily / Flaviviral glycoprotein E, dimerisation domain / DEAD box, Flavivirus / Flavivirus DEAD domain / helicase superfamily c-terminal domain / Immunoglobulin E-set / Superfamilies 1 and 2 helicase C-terminal domain profile. / Superfamilies 1 and 2 helicase ATP-binding type-1 domain profile. / DEAD-like helicases superfamily / Helicase, C-terminal / Helicase superfamily 1/2, ATP-binding domain / RNA-directed RNA polymerase, catalytic domain / RdRp of positive ssRNA viruses catalytic domain profile. / S-adenosyl-L-methionine-dependent methyltransferase superfamily / Peptidase S1, PA clan, chymotrypsin-like fold / Peptidase S1, PA clan / DNA/RNA polymerase superfamily / P-loop containing nucleoside triphosphate hydrolase
Similarity search - Domain/homology
Genome polyprotein / Genome polyprotein
Similarity search - Component
Biological speciesDengue virus 2
Mus musculus (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.96 Å
AuthorsAkey, D.L. / Smith, J.L.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) United States
CitationJournal: Science / Year: 2021
Title: Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Authors: Biering, S.B. / Akey, D.L. / Wong, M.P. / Brown, W.C. / Lo, N.T.N. / Puerta-Guardo, H. / Tramontini Gomes de Sousa, F. / Wang, C. / Konwerski, J.R. / Espinosa, D.A. / Bockhaus, N.J. / ...Authors: Biering, S.B. / Akey, D.L. / Wong, M.P. / Brown, W.C. / Lo, N.T.N. / Puerta-Guardo, H. / Tramontini Gomes de Sousa, F. / Wang, C. / Konwerski, J.R. / Espinosa, D.A. / Bockhaus, N.J. / Glasner, D.R. / Li, J. / Blanc, S.F. / Juan, E.Y. / Elledge, S.J. / Mina, M.J. / Beatty, P.R. / Smith, J.L. / Harris, E.
History
DepositionApr 2, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 23, 2020Provider: repository / Type: Initial release
Revision 1.1Jan 20, 2021Group: 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_PubMed / _citation.title / _citation.year / _citation_author.identifier_ORCID
Revision 1.2Oct 18, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id
Revision 1.3Oct 30, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Non-structural protein 1
B: Non-structural protein 1
C: 2B7 Fab heavy chain
D: 2B7 Fab light chain
E: 2B7 Fab heavy chain
F: 2B7 Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)195,5028
Polymers195,0596
Non-polymers4422
Water00
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: homology
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area14550 Å2
ΔGint-78 kcal/mol
Surface area65750 Å2
Unit cell
Length a, b, c (Å)148.465, 148.465, 517.050
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number98
Space group name H-MI4122
Space group name HallI4bw2bw
Symmetry operation#1: x,y,z
#2: -y+1/2,x,z+3/4
#3: y+1/2,-x,z+3/4
#4: x+1/2,-y,-z+3/4
#5: -x+1/2,y,-z+3/4
#6: -x,-y,z
#7: y,x,-z
#8: -y,-x,-z
#9: x+1/2,y+1/2,z+1/2
#10: -y+1,x+1/2,z+5/4
#11: y+1,-x+1/2,z+5/4
#12: x+1,-y+1/2,-z+5/4
#13: -x+1,y+1/2,-z+5/4
#14: -x+1/2,-y+1/2,z+1/2
#15: y+1/2,x+1/2,-z+1/2
#16: -y+1/2,-x+1/2,-z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
12
22
13
23

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111ASPASPASNASN(chain 'A' and (resid 1 through 82 or resid 84...AA1 - 8225 - 106
121VALVALPROPRO(chain 'A' and (resid 1 through 82 or resid 84...AA84 - 106108 - 130
131ASNASNTYRTYR(chain 'A' and (resid 1 through 82 or resid 84...AA130 - 158154 - 182
141THRTHRLYSLYS(chain 'A' and (resid 1 through 82 or resid 84...AA164 - 172188 - 196
151LYSLYSLYSLYS(chain 'A' and (resid 1 through 82 or resid 84...AA174198
161ASPASPASNASN(chain 'A' and (resid 1 through 82 or resid 84...AA176 - 255200 - 279
171ARGARGTHRTHR(chain 'A' and (resid 1 through 82 or resid 84...AA257 - 288281 - 312
181ASPASPLEULEU(chain 'A' and (resid 1 through 82 or resid 84...AA290 - 349314 - 373
291ASPASPASNASN(chain 'B' and (resid 1 through 82 or resid 84...BB1 - 8225 - 106
2101VALVALPROPRO(chain 'B' and (resid 1 through 82 or resid 84...BB84 - 106108 - 130
2111ASNASNTYRTYR(chain 'B' and (resid 1 through 82 or resid 84...BB130 - 158154 - 182
2121THRTHRLYSLYS(chain 'B' and (resid 1 through 82 or resid 84...BB164 - 172188 - 196
2131LYSLYSLYSLYS(chain 'B' and (resid 1 through 82 or resid 84...BB174198
2141ASPASPASNASN(chain 'B' and (resid 1 through 82 or resid 84...BB176 - 255200 - 279
2151ARGARGTHRTHR(chain 'B' and (resid 1 through 82 or resid 84...BB257 - 288281 - 312
2161ASPASPLEULEU(chain 'B' and (resid 1 through 82 or resid 84...BB290 - 349314 - 373
1172GLUGLUPROPROchain 'C'CC1 - 13220 - 152
1182GLYGLYSERSERchain 'C'CC135 - 162155 - 182
1192SERSERSERSERchain 'C'CC167 - 219187 - 239
2202GLUGLUPROPROchain 'E'EE1 - 13220 - 152
2212GLYGLYSERSERchain 'E'EE135 - 162155 - 182
2222SERSERSERSERchain 'E'EE167 - 219187 - 239
1233ASNASNARGARGchain 'D'DD1 - 21521 - 235
2243ASNASNARGARGchain 'F'FF1 - 21521 - 235

NCS ensembles :
ID
1
2
3

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Components

#1: Protein Non-structural protein 1


Mass: 42674.211 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Dengue virus 2 / Production host: unidentified baculovirus / References: UniProt: D0EPS0, UniProt: P29990*PLUS
#2: Antibody 2B7 Fab heavy chain


Mass: 28651.375 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse)
#3: Antibody 2B7 Fab light chain


Mass: 26204.037 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse)
#4: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0
Has ligand of interestN
Has protein modificationY

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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: 3.65 Å3/Da / Density % sol: 66.32 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.2
Details: 23% PEG 3350, 0.25 M MgCl2, 0.1 M sodium acetate pH 5.2

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.0332 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Dec 13, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0332 Å / Relative weight: 1
ReflectionResolution: 3.96→29.8 Å / Num. obs: 25742 / % possible obs: 98.81 % / Redundancy: 26.6 % / Biso Wilson estimate: 194.67 Å2 / CC1/2: 1 / CC star: 1 / Rmerge(I) obs: 0.2152 / Rpim(I) all: 0.04245 / Rrim(I) all: 0.2194 / Net I/σ(I): 13.77
Reflection shellResolution: 3.96→4.01 Å / Redundancy: 24.5 % / Rmerge(I) obs: 4.703 / Mean I/σ(I) obs: 0.92 / Num. unique obs: 2415 / CC1/2: 0.703 / CC star: 0.909 / Rpim(I) all: 0.9601 / Rrim(I) all: 4.803 / % possible all: 95.34

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
JBluIce-EPICSdata collection
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4o6b

4o6b


Resolution: 3.96→29.8 Å / SU ML: 0.7552 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 39.2483
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.3113 1276 5 %
Rwork0.2756 24266 -
obs0.2773 25542 99.08 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 252.64 Å2
Refinement stepCycle: LAST / Resolution: 3.96→29.8 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11710 0 0 0 11710
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002911987
X-RAY DIFFRACTIONf_angle_d0.658116286
X-RAY DIFFRACTIONf_chiral_restr0.04381816
X-RAY DIFFRACTIONf_plane_restr0.00452074
X-RAY DIFFRACTIONf_dihedral_angle_d20.91834351
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.96-4.110.47271320.43592547X-RAY DIFFRACTION95.13
4.12-4.30.39351400.38282639X-RAY DIFFRACTION99.11
4.3-4.530.33631410.33952648X-RAY DIFFRACTION99.36
4.53-4.810.33451400.32632676X-RAY DIFFRACTION99.29
4.81-5.180.33771400.31992660X-RAY DIFFRACTION99.29
5.18-5.70.33951430.31262712X-RAY DIFFRACTION99.76
5.7-6.510.2961420.31032719X-RAY DIFFRACTION99.76
6.52-8.180.30641460.26992761X-RAY DIFFRACTION100
8.18-29.80.27891520.21582904X-RAY DIFFRACTION99.87
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)
12.888764303441.8791205911-0.89822618810.64153098108-0.1255110694176.20226431274-0.3710918155320.05604943212890.8463328280190.948596557462-0.955083909672-0.466471625314-4.14120340433.72406739044-0.06895173427372.339335580050.06159036376920.02486541823054.412159436810.2147526062412.905552467124.8912260105837.1128447389-52.2349174789
23.196162839270.489320903467-5.048014485822.58592502267-1.470143328891.832241476030.243008129775-0.287655528338-0.04033170288210.2799482448650.09713098144660.02259068299080.415144584071-1.440994243290.0002541989441342.74745691557-0.143618841670.05915888884962.798286312430.08171717970452.1471900044812.58759166237.47843017816-36.7753747964
3-0.7246695317210.7364230731130.5672242169241.845265074480.303628696166-0.301608858470.74927676359-2.58949354905-2.50617686249-0.9823243006851.19875073851-2.50130145755-2.887337265581.345861658650.007536956171952.311099883080.2109041393040.05154931464492.397891354270.1840192812352.2538472767318.65437678236.3944548396-29.7391167751
42.789908619713.47110759793-1.951238311283.15214663438-2.418266749481.25691484172.066562887153.677258134361.069289897320.507749794877-1.317265168890.1974960537783.894947381840.09718268836840.01126201969143.46631350515-0.1141837279230.1147875301713.43476018749-0.1876962984572.1553863694313.398186017512.8265427764-45.0370264258
51.568473176731.622757760450.2655154342264.39648675281.140918978686.98376395469-0.2885785417450.3055867168760.5353774267580.0149771659450.424780628896-0.0490886055264-0.3555354911250.0443882630070.0007045027391342.32779026093-0.01481397070520.2177420500742.9968991381-0.004770343223062.3519373985625.071207565136.3388247532-37.73942209
63.16848756515-1.876987692691.464161608951.39989877794-0.3665868507370.840119952869-0.2569647078230.843396026526-0.88365314551-0.9971580250081.325234227312.852180348113.95860894744-1.106509454130.001414834679732.42396330657-0.2339018848870.3026208969784.700702823020.4438368361673.96983244784.4199832926734.6702646285-62.4145463096
70.04058740272-3.50487114018-0.6986093939751.953117190281.717233679952.935328509490.0398027340522-0.5432022608610.8837142791441.735954420811.28580876280.95042155444-2.87103892536-1.17089741163-0.001507528840233.307034177-0.007360338090040.07542375451192.823548750160.07943870068342.8110008868621.795234429959.9527893498-76.2201014956
81.156078820881.98817652814-0.5063604926640.264816171463-0.5948248111654.159208768710.1705888753310.735001860696-0.0524267441532-0.244751592733-0.0935145932609-0.100940394407-0.701373389902-0.102505626328-0.000484440821122.72846147804-0.07612473411360.07988921221133.409783502930.2329139274232.2452676627727.88230791156.465060619-82.5126577531
91.703289066340.999796107618-0.2920229079445.46011175609-0.9624449410215.66615349968-0.01565127234640.2454167802140.08924581266690.4735879499430.258142895967-0.06437125663150.22690245446-0.711113284130.0003896383256592.010182167540.1495993592290.02464184136693.688133327380.1851580296222.3829166677423.029432812830.4690583189-75.3720113333
106.62850785223-4.71785232516-4.023643746443.368507493591.517722624633.361803337440.219588249260.8148045585780.05826718405840.0656312317645-0.1757067154190.195482926971-0.208109822991-1.15685427357-0.0002493715215452.762860683410.3077556072870.124134784072.549111673210.1729861721512.50783632373-3.0964058618740.41090552-15.2087343824
115.950611061154.0507716839-0.7235569689365.77739556777.497010166855.46963303674-1.201558668320.1300264246141.30897875464-0.5222082270060.0634706638080.413604955006-1.628960054420.5472153114320.0008700848269752.366780561680.125678122266-0.07890718756412.09684719003-0.01236326202032.58439108851-17.247109281144.956992893213.6864954302
12-0.625888031858-1.413298531761.279231506054.669139600552.786109867.7355762944-0.217604337641-0.469179655199-0.710518105652-0.33729944889-0.00367077258954-0.7576341724890.01394477875091.612182067930.0006621676900482.623738776940.4381876428320.1744926139652.48970892134-0.1053270708282.3899243361111.056951671429.2834601127-0.802848490968
135.76334182602-7.027631051872.164473481132.169489725420.334239044926.742425267030.199721060565-0.629465273634-0.752995307805-0.2170188771410.08840982283850.677376394293-0.537014431263-0.351112591155-3.93468104803E-52.98428289381-0.1102698735690.5702053901562.80016187524-0.05782613031173.00005206622-20.02993616730.992602339520.4483741011
147.304044423681.81961291637-0.39639428280.378002190249-3.581227867112.649494724591.00670919006-0.02190277603510.7955608359290.563171389243-0.5022075130291.06463654217-0.05117526790280.05681569670950.0004213030688782.10905862566-0.12663390350.1663782230852.515188594670.4870349952833.18005432706-2.36473172532.4179171949-101.213303485
153.39007434654-6.84522879508-3.051586765513.418033445524.95561395832.110562249580.1213769316010.6722453648750.887978228977-0.2798419190860.188379525939-0.02234675422880.8187128739431.677426303180.0005770340480222.87496065172-0.831629413242-0.07414395290432.684528198530.2581090008893.1502471661-13.184829777629.195086819-131.524571122
164.66778914045-2.23008417104-2.618955821031.5666930956-1.93777045348.166051525657.91192880795E-50.3823084966880.808652426295-0.111309136766-0.430016743147-0.297544843089-0.4990307259831.2910398936-0.0004439334280762.52066155202-0.529372131653-0.0755784151852.742572393650.01806529508732.4629470509815.810260024637.9700822098-114.385204817
170.33210280031.622997548161.05910640144-0.6009174949054.274325813376.00395483672-2.24099756386-0.3223127013011.50293437552-0.9194530146490.3951003521870.934919720263-1.766451465311.661594996389.94802336067E-52.8911907489-0.30808567765-0.7081355108782.78160793994-0.01796396504063.37549136413-12.01755391542.867686699-139.292895591
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 31 )
2X-RAY DIFFRACTION2chain 'A' and (resid 32 through 105 )
3X-RAY DIFFRACTION3chain 'A' and (resid 106 through 144 )
4X-RAY DIFFRACTION4chain 'A' and (resid 145 through 171 )
5X-RAY DIFFRACTION5chain 'A' and (resid 172 through 349 )
6X-RAY DIFFRACTION6chain 'B' and (resid 1 through 32 )
7X-RAY DIFFRACTION7chain 'B' and (resid 33 through 81 )
8X-RAY DIFFRACTION8chain 'B' and (resid 82 through 144 )
9X-RAY DIFFRACTION9chain 'B' and (resid 145 through 349 )
10X-RAY DIFFRACTION10chain 'C' and (resid 1 through 125 )
11X-RAY DIFFRACTION11chain 'C' and (resid 126 through 219 )
12X-RAY DIFFRACTION12chain 'D' and (resid 1 through 117 )
13X-RAY DIFFRACTION13chain 'D' and (resid 118 through 215 )
14X-RAY DIFFRACTION14chain 'E' and (resid 1 through 125 )
15X-RAY DIFFRACTION15chain 'E' and (resid 126 through 219 )
16X-RAY DIFFRACTION16chain 'F' and (resid 1 through 117 )
17X-RAY DIFFRACTION17chain 'F' and (resid 118 through 215 )

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