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- PDB-8qp6: Crystal structure of Hepatitis C Virus E1 glycoprotein epitope 31... -

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Basic information

Entry
Database: PDB / ID: 8qp6
TitleCrystal structure of Hepatitis C Virus E1 glycoprotein epitope 314-324 scaffold design 1W4K_08 in complex with neutralizing antibody F(ab) fragment IGH526
Components
  • 1W4K_08
  • F(ab) IGH526
KeywordsSTRUCTURAL PROTEIN / Scaffold protein / HCV Immunogen / Complex
Biological speciesPyrobaculum aerophilum (archaea)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.59 Å
AuthorsNagarathinam, K. / Krey, T.
Funding support Germany, 1items
OrganizationGrant numberCountry
German Research Foundation (DFG)KR 2880 / 3-1 Germany
CitationJournal: Sci Adv / Year: 2024
Title: Epitope-focused immunogens targeting the hepatitis C virus glycoproteins induce broadly neutralizing antibodies.
Authors: Nagarathinam, K. / Scheck, A. / Labuhn, M. / Stroh, L.J. / Herold, E. / Veselkova, B. / Tune, S. / Cramer, J.T. / Rosset, S. / Vollers, S.S. / Bankwitz, D. / Ballmaier, M. / Boning, H. / ...Authors: Nagarathinam, K. / Scheck, A. / Labuhn, M. / Stroh, L.J. / Herold, E. / Veselkova, B. / Tune, S. / Cramer, J.T. / Rosset, S. / Vollers, S.S. / Bankwitz, D. / Ballmaier, M. / Boning, H. / Roth, E. / Khera, T. / Ahsendorf-Abidi, H.P. / Dittrich-Breiholz, O. / Obleser, J. / Nassal, M. / Jack, H.M. / Pietschmann, T. / Correia, B.E. / Krey, T.
History
DepositionSep 30, 2023Deposition site: PDBE / Processing site: PDBE
Revision 1.0Oct 9, 2024Provider: repository / Type: Initial release
Revision 1.1Apr 30, 2025Group: 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 / _citation_author.identifier_ORCID / _citation_author.name

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: 1W4K_08
B: F(ab) IGH526
G: 1W4K_08
C: F(ab) IGH526
D: 1W4K_08
E: F(ab) IGH526
H: F(ab) IGH526
I: F(ab) IGH526
F: F(ab) IGH526
J: 1W4K_08
K: F(ab) IGH526
L: F(ab) IGH526


Theoretical massNumber of molelcules
Total (without water)435,33312
Polymers435,33312
Non-polymers00
Water1267
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: surface plasmon resonance
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)72.320, 121.760, 234.100
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "B" and (resid 2 through 13 or (resid 14...
d_2ens_1(chain "H" and (resid 2 through 5 or (resid 6...
d_1ens_2(chain "C" and (resid 4 through 27 or (resid 28...
d_2ens_2(chain "I" and ((resid 4 and (name N or name...
d_1ens_3(chain "E" and (resid 2 through 5 or (resid 6...
d_2ens_3(chain "K" and (resid 2 through 11 or (resid 12...
d_1ens_4(chain "F" and (resid 4 through 115 or (resid 116...
d_2ens_4(chain "L" and (resid 4 through 170 or (resid 171...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11ens_1VALVALLYSLYSBB2 - 2272 - 227
d_21ens_1VALVALLYSLYSHG2 - 2272 - 227
d_11ens_2LEULEULEULEUCD4 - 112272 - 380
d_12ens_2GLNGLNGLUGLUCD114 - 216382 - 484
d_21ens_2LEULEUGLUGLUIH4 - 216272 - 484
d_11ens_3VALVALLYSLYSEF2 - 2272 - 227
d_21ens_3VALVALLYSLYSKK2 - 2272 - 227
d_11ens_4LEULEUTHRTHRFI4 - 215272 - 483
d_21ens_4LEULEUTHRTHRLL4 - 215272 - 483

NCS ensembles :
ID
ens_1
ens_2
ens_3
ens_4

NCS oper:
IDCodeMatrixVector
1given(-0.999938535994, -0.0084755088526, 0.00714772584683), (-0.00846788606888, 0.999963546122, 0.00109605333526), (-0.00715675489425, 0.00103545983931, -0.999973853999)0.719874744756, -0.527473401376, -120.909347932
2given(-0.999839770816, -0.0144060408144, -0.0106253791711), (-0.0144762042098, 0.999873719299, 0.00655629213914), (0.0105295871787, 0.00670905678848, -0.999922055138)-0.775785347324, -0.251574946297, -120.615383634
3given(0.999220710338, 0.0386213735117, 0.00814625921783), (0.0386301714187, -0.999253147883, -0.000925365639008), (0.00810443627491, 0.00123933590114, -0.999966390515)36.8341920235, 0.73228903942, -3.7918843903
4given(0.999931522932, 0.0105674698309, 0.00502772597318), (0.0105862691873, -0.999937016962, -0.00372733342877), (0.00498802082816, 0.00378030305246, -0.999980414287)36.036593193, -0.171834768731, -3.6657769145
5given(0.999711624842, 0.0231236870612, -0.00647782769346), (0.023091411821, -0.999720785865, -0.00501368219858), (-0.00659195381059, 0.00486265419021, -0.999966449807)36.0210781155, 0.0606340944918, -3.98073843656
6given(-0.258794217315, 0.574805784052, 0.776288518338), (0.476298784119, 0.775108337049, -0.415146400785), (-0.840336254919, 0.262307789548, -0.47437285147)79.0150726688, 56.3500772175, 18.209700009

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Components

#1: Protein
1W4K_08


Mass: 6400.279 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pyrobaculum aerophilum (archaea) / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): Gold
#2: Antibody
F(ab) IGH526


Mass: 51216.461 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 7 / Source method: isolated from a natural source / Formula: H2O
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: 2.61 Å3/Da / Density % sol: 53 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.5
Details: 0.2 M Ammonium acetate 0.1 M BIS-Tris 5.5 25 % w/v PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 2 / Wavelength: 1.0007 Å
DetectorType: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Mar 15, 2019
RadiationMonochromator: M / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0007 Å / Relative weight: 1
ReflectionResolution: 2.59→48.63 Å / Num. obs: 64890 / % possible obs: 99.41 % / Redundancy: 13.6 % / Biso Wilson estimate: 70.17 Å2 / CC1/2: 0.997 / Net I/σ(I): 11.18
Reflection shellResolution: 2.593→2.686 Å / Redundancy: 13.7 % / Mean I/σ(I) obs: 0.74 / Num. unique obs: 6325 / CC1/2: 0.564 / % possible all: 97.58

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Processing

Software
NameVersionClassification
PHENIX1.18_3861refinement
Coot1.18_3861model building
XDSdata reduction
XSCALEdata scaling
PHENIX1.18_3861phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.59→48.63 Å / SU ML: 0.5097 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 37.7645
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2731 3227 5 %
Rwork0.2319 61368 -
obs0.234 64595 99.43 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 77.91 Å2
Refinement stepCycle: LAST / Resolution: 2.59→48.63 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13205 0 0 7 13212
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.001813528
X-RAY DIFFRACTIONf_angle_d0.583418513
X-RAY DIFFRACTIONf_chiral_restr0.04332150
X-RAY DIFFRACTIONf_plane_restr0.00532364
X-RAY DIFFRACTIONf_dihedral_angle_d12.50161898
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2BBX-RAY DIFFRACTIONTorsion NCS0.599720302044
ens_2d_2DCX-RAY DIFFRACTIONTorsion NCS0.489200723176
ens_3d_2FEX-RAY DIFFRACTIONTorsion NCS0.369864925819
ens_4d_2IFX-RAY DIFFRACTIONTorsion NCS0.358455549361
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.59-2.630.47891280.45642484X-RAY DIFFRACTION95.09
2.63-2.670.43981410.42272658X-RAY DIFFRACTION99.47
2.67-2.720.41261360.3852605X-RAY DIFFRACTION99.42
2.72-2.760.43951400.38352660X-RAY DIFFRACTION99.72
2.76-2.810.40081380.34122622X-RAY DIFFRACTION99.75
2.81-2.870.38631400.332655X-RAY DIFFRACTION99.79
2.87-2.930.42341390.3172639X-RAY DIFFRACTION99.64
2.93-2.990.36481400.32062658X-RAY DIFFRACTION99.89
2.99-3.060.34851370.30592621X-RAY DIFFRACTION99.28
3.06-3.140.36721400.30542668X-RAY DIFFRACTION99.33
3.14-3.220.33411360.31072626X-RAY DIFFRACTION99.46
3.22-3.320.34711420.28842666X-RAY DIFFRACTION99.36
3.32-3.420.29891380.27022644X-RAY DIFFRACTION99.68
3.42-3.550.30121400.2492663X-RAY DIFFRACTION99.72
3.55-3.690.2991400.24852649X-RAY DIFFRACTION99.5
3.69-3.850.28861420.23862686X-RAY DIFFRACTION99.58
3.86-4.060.26851410.21562676X-RAY DIFFRACTION99.82
4.06-4.310.22371420.1842695X-RAY DIFFRACTION99.79
4.31-4.640.19581410.16312682X-RAY DIFFRACTION99.72
4.65-5.110.21861430.1652731X-RAY DIFFRACTION99.79
5.11-5.850.2211440.18232725X-RAY DIFFRACTION99.86
5.85-7.370.24061450.22352765X-RAY DIFFRACTION99.9
7.37-48.630.23741540.19912890X-RAY DIFFRACTION99.25
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)
12.073716128380.548679486734-0.9130732495963.076917825673.660888550995.52110449281-1.174261246620.333075856336-1.01025233733-0.2975074324250.514341177458-0.4652417280442.550782875620.3368248159-1.116684570770.761295902993-0.2107428550530.0603503789750.710570636302-0.0138515144140.712390880278-22.073841989-27.4231358209-59.0182738125
20.63701180085-0.3796183238290.7964829593640.344923472713-0.9425446762863.031208943930.5259563855810.423016195087-0.759198178215-0.5973064058540.967045054615-1.060490943650.4511250096220.05688553724384.341528537631.66600033898-0.293165195430.3456839669520.103860253218-0.4022816170320.933691820802-26.3371595024-34.7369011323-54.0248333089
36.53126191218-2.80970358892-5.425387304543.091954179043.62555223395.39378145924-0.5182440181942.57752093431-2.05101138856-1.32881305873-1.67543695676-2.195983174131.57892437365-0.521436851186-0.2493963003592.595821904520.107945618497-0.2742484625241.46665521501-0.02398117202081.310475685-24.7861382082-39.7288912618-45.4716041002
40.1988176332680.04884837780810.3779972336390.6309870720010.1943000058160.2577462318930.354710037726-0.200975541140.0257162131986-0.63055805756-0.5004411496290.08410331787321.56771066077-0.1628777909798.13542538816E-50.770238906679-0.0384843617950.09484841885640.845653035614-0.02618392846030.811146221893-10.0766872497-15.6156560378-80.7735936238
50.27813204951-0.472222705078-0.4395687366730.6662039775350.1013106014171.29519092059-0.357088290527-0.63783604148-0.124925710282-0.006778736673140.351411134239-0.4110018048290.3389490202721.111001531540.003597575428750.607383346934-0.02572163012480.03249329249890.823324061421-0.003919036295830.639140081524-9.99868107267-21.1799437659-70.7503173067
61.906466235410.998667261799-0.1708699399081.700746964051.330069805681.64017397739-0.075420852199-0.0680052186185-0.263658453023-1.049774004210.424391967860.4891539043990.29147771701-0.7683241483460.001238677704310.934003035073-0.1071751079850.05896086108010.613700265897-0.0702171104740.730174954754-20.8419165646-20.4360582024-71.2301528262
70.00110660694587-0.1326786919320.1876869553931.27916994333-0.7319290741711.47705797618-0.6416271457420.0254887033927-0.346184341368-1.446061753720.290820052537-0.1784411967790.137105738314-0.373708471946-0.003541986250830.907070707909-0.03803047583770.1594590534760.729653183487-0.06154481005460.851444685407-13.5630215082-25.9191646067-77.0363063003
81.31873065166-0.0376192732068-0.6696276527061.482296364090.6617099578670.6667772445220.0691485162740.262408431355-0.101926211149-0.202231042495-0.04045754846030.0963018739517-0.2721712649910.6369266870930.000161749869790.840586098179-0.01249377984260.1081400473180.618239557414-0.05077770820070.730865134571-14.7161366168-15.9860144436-69.0726930029
90.719716626081-0.02871996364831.080134058020.480863104341-0.2646203899981.592286731890.00672291824998-0.3631057352250.26577976969-0.494053752410.05170088896430.0953884350656-0.612142013522-0.721124215948-0.00702100767850.6673116328240.1008894501470.05913518279931.08637728332-0.1172282197290.668056593053-11.49788358325.58761828518-97.8795182264
103.56924531711-0.86345697581-1.110957077121.77976201630.09489791753656.663985354620.0514098057622-0.3284050682380.06120485664460.0782156813686-0.125188761374-0.118585159283-0.4626549569470.5135019022310.0001039999838530.719873633283-0.03569781277060.0322968693920.592866508548-0.04548682191230.65294120616-4.973066964169.7903797672-92.3310984774
112.62974461395-2.557318787532.97401061794.71815844486-4.272473727666.62010385906-0.7737010109670.5254270873470.9994084638860.7304770901980.288927301527-0.605417753782-1.471024130990.265054519389-0.6028203189850.4154998124290.05519336002080.3577785982920.788544970025-0.06190506266040.5390561737-2.3994352797511.3654932206-101.057420118
120.363897313195-0.2409948864270.3925668377020.195756564313-0.2303064424470.57793929097-0.705514387679-0.584430161905-1.411627963020.987719885980.807121517948-0.07775192859910.4651106179751.419988554220.0006236083759920.9744169802150.1705256271340.1505240116240.919474404090.1369181720690.93050032161730.8765252085-25.9037492475-60.196753852
130.992307249308-0.5127058411480.1584642335041.16951725887-0.2442771542050.0507182307214-0.9002495778560.674943844482-0.229085065492.063887990370.649237008961-0.5876960927532.4024534733-0.205069059103-0.00477901873151.32774763138-0.221613823235-0.01514333190910.726354002255-0.1004699406030.6632963152919.6356137569-28.0910306803-62.6340917493
144.604657826550.6870311006750.6538736614183.671621726690.4347938246725.26886938591-0.2370788818330.06987126601940.323202155329-0.05553134739450.09961150063050.0525153714744-1.062619902710.02839357215460.0001019861734910.877707445096-0.01561078225660.01288603459430.6437595444880.006602811787630.64041805559-18.1321272208-5.26661109336-58.3611417358
151.617814577081.20146500512-0.5559090978152.31425808766-1.01550262632.870434139270.3456472985630.2137275545730.006494465057840.6324698722020.01355460083550.0959706954646-0.209164525334-0.06878762554560.0002939890094970.9798695804720.09746492596690.04726742945590.70818159953-0.05854217658860.834201121098-17.493078155415.2940274033-86.5659208518
161.914159742680.1353524471861.338303030771.06213016302-0.01577697066550.864344387957-0.404845074644-0.4018787107940.2913266499991.32651762538-0.6622340648440.999328203803-1.39829717345-0.478371026628-0.2954195713231.285131266370.1520178138350.02360169506490.6932841054580.0239980033790.779753560617-21.294482655423.7876628312-88.6214907946
171.80272756805-2.70359976834-2.390568550376.394196231142.132601270644.056828248370.008380805681870.402898733381-0.523728243829-0.586234065762-0.1975625096790.6438899082170.15526528337-0.76512507906-2.53576269050.6400732644860.0373677799906-0.1880305418170.4250127615330.3232622567090.458651694669-7.65971727799-23.1295023358-36.5453529118
180.4759033393571.24404466536-1.877682168843.64705008998-5.602674064758.6955411587-0.156152186738-0.561605150798-0.0617068860575-0.7832875920960.121698555227-1.729350267331.643184649051.11771038216-0.3437557042760.2789347067810.0652977683052-0.08492569558760.530286919384-0.1277054048750.657356392914-16.330592415-30.3321629186-39.100304949
191.44814926498-1.26486270696-1.49642079751.91263966408-0.5075626923835.29319656283-0.248527018308-0.0871888675309-0.1461867412090.04534654112090.279602230053-0.04588139116220.345225691775-0.247031010554-0.0002092930449140.7383635258770.003750825248270.0470417415140.5575928263090.08405740593360.751666520747-24.1763073713-26.4043714019-24.16836923
203.43285359310.3193545261521.075686860754.794202944460.1628321217794.50090628888-0.000769818385725-0.1159160706550.04222805250650.2884009679560.04480825467130.265489552839-0.0378298884563-0.137440523996-0.0003405402332770.5910649150590.07042294682270.01148797822840.6999107938070.04860045036760.591025052978-33.81806504450.9713127185514.4712255174
210.477835274591-1.053866513840.1361142330341.972151303560.1248717179560.226795110679-7.71090172615E-6-0.9008482605610.2186368563370.299831919901-0.5495833401220.06690215925730.589857143825-1.61386687801-0.002366466613730.8318044269440.02597455531620.1245105158570.8274115140040.04982304410890.8328088498779.94989206788-16.7316691749-40.4007331946
220.342619778501-0.513722806630.3831387407010.968534522623-0.5785598703710.534270259242-0.0426932304158-0.101565084269-0.441357247994-0.08991687562170.160828145362-0.1327995171160.786675949702-1.211860143630.0005606622755281.04329115344-0.240743797878-0.03364399551720.782421371601-0.01645565073170.74648418853510.3799086335-22.0777197623-50.1988469612
231.47744343807-0.127726289934-0.8559435906190.549062987882-0.3726454481841.410616495190.597140700721-0.229634457937-0.1666996515170.800398007371-0.866400392359-0.7681293564770.863579802627-0.747562990962-0.003107924206651.06134931885-0.104023057919-0.0248814770220.44812233767-0.03468482474340.75201570840621.55007369-14.5414750604-49.3576806952
241.094693489110.902859329301-2.135323158674.47778221644-0.8130389010424.72228532357-0.0290444133846-0.331004354546-0.1259606320830.944186503588-0.0608356118377-0.4351641857322.478677462230.3888066020450.08709064342811.53100780677-0.201627317730.01943683701730.676122739494-0.01115542133420.7894350920416.9353867613-26.7846737893-46.2677745416
251.65529187914-1.62828909913-0.4424991608561.720429702560.8094514741671.239036347430.244400798118-0.0717639469434-0.2095498783381.315907637040.0476151365042-0.1101922583611.60276148127-0.08655528949870.01790632020171.24825045984-0.3189059252390.06217568302250.6055302573370.07114403257640.76967014561118.3514750381-15.5332643863-42.9175880368
260.6871314473820.5142799669990.0408274116480.6696990743221.574388053371.75025945746-0.142010826946-0.02594322123020.00291597594392-0.200555676852-0.07865401884460.213074732633-0.0703427305665-0.145031378975-0.0004812238738730.9089630922740.01077429454620.02311645319530.6608119689890.04630091522730.75065669865612.1359663754-9.06396083685-45.1140853891
271.35930163921.051479418240.978783358651.19371082862-0.1443252720752.1466047022-0.03335885446430.5675319028250.195076232654-0.6881623697180.238656558517-0.02104664009420.541594885659-0.5869419128490.0004469527126630.5889386418160.05017035600380.0227959547650.690713121470.08353371166160.6160879933865.431302858827.39675236073-27.7020101527
281.050837839931.23358408438-1.183896392222.05600565135-1.173312253681.38355502721-1.011255760470.2907890196110.457158367290.3999468171670.411884421303-0.270089284503-0.292783640676-0.8447910852832.39417145365E-50.9120021529760.124562629298-0.102702189550.9518154744250.03739672247760.645534018938.964286100877.75411284069-32.1978891985
290.7249929602410.169185513915-0.7334249382740.590196976207-1.416419948413.07476343288-0.2713668397120.531787110170.0453241179713-0.3152257086560.546084875176-0.06484273401150.750224884126-1.574867447530.4212116984570.5186014856890.09844018489990.03987714391290.8274509532960.1553452730520.7441795808551.9247460964212.3144925488-26.5962681732
301.36900931345-0.275390152751.391120665380.240089153284-0.1740788203591.35422959580.00219606606310.06360131675430.9968370939260.472293744396-0.0495312192543-0.104213242113-0.316571563872-0.80653148085-0.0006115277176180.990036763293-0.1214026747690.2358128187631.142117027010.2005402911720.9297760522921.9204479690910.1881392227-19.9560510259
312.15385057393-1.18913147704-0.8105854763562.3453910954-0.151338754382.699454753420.2358572810020.003640283021721.57434405297-0.4151777147840.303455334929-1.60465726744-1.733236967020.1628636512080.1827285439581.037370450590.0465597390469-0.01007831499310.6698517375540.02717255751050.87389925213820.99731857762.32157132862-61.6718335375
321.476846695951.265631309770.4275252357292.6481565713-1.469526244232.13317304630.152717998701-0.250791072745-0.7989822915520.42831517755-0.241559613853-3.0030101634E-5-0.212373599431-0.1327356400980.0001189749273560.8244527651-0.0992987983586-0.06107751750990.767042354950.01894187070140.76193876265417.7143388232-9.30286382399-60.4645940251
330.7064773997920.08126309123770.003092604097690.890261913344-0.6624909218010.707381759815-0.3649505481691.97921428890.2149707130430.197412171243-0.0758683060081-0.0886662740151-0.117809686781-0.647367949879-0.02668910622330.3511299477850.109558310792-0.0269587912550.8561106570720.04792103152140.64768492336810.3668625764-8.071367825-68.8818832063
34-0.127227516037-1.23783342121-0.2474783243111.855301860810.5362784204461.36150591051-0.23738582408-0.08203697721730.0964607638883-0.1391587647040.436388537654-0.00524284955457-0.783347208954-0.131592266138-0.0001355386868340.9487805358930.0167977747107-0.0380206009690.716195246766-0.0229862559160.84090391919417.9417946326-2.22375135571-59.9805079959
353.53420183259-0.84088481811-0.9494761784922.270406194-1.019775423134.150916737170.253035546032-0.04959128543510.295496543039-0.424273040029-0.0611653807549-0.101848015613-0.100858176126-0.171179570201-5.79988605946E-50.7047351221620.08795382153340.03839496545360.6313105544180.06046790008780.750707955518.018885021114.8821942002-31.4846246372
362.062999115880.6830159289740.2894650524252.41817228253-0.1328902947010.501158949808-0.02035470584430.5350020065420.543383305269-0.543113348130.0205839029201-0.726946153362-0.4496022105520.611317209584-0.001417539480060.9061530532940.104675843344-0.01377878883850.7193508868790.01375999939521.0085604876221.609188624223.1009980947-32.6007344913
370.606875394997-0.71271751742-0.9545523174161.513174656670.4981852945891.302871794740.2211059835040.1448845354911.13070824796-0.484903717221-0.0858115632112-0.61945431556-0.9390210067530.1611000497920.04017925187170.5999242608340.0616932593060.004056099288580.7181479309120.03250939767930.798038006767-25.6731668377-1.71160232337-32.6804288054
380.452351710787-1.23998506993-1.106094536283.948428070480.945470810315.02880216951-0.1817046282680.230687262015-0.0309248499667-0.151628975225-0.002896956860880.139400812518-0.320225834865-0.43120505039-0.0002803239805270.691788345391-0.028193749113-0.03331179784470.670576622598-0.03018981482040.718917400041-27.0389975558-11.319894562-35.565537963
390.9444240362070.00522441418866-0.1678140861350.6301280659430.8819978161771.431236146930.0435586419844-0.1386912701460.361815781258-0.0765205170606-0.0261970013299-0.0554231950138-0.2897307597850.538919585222-0.0001422622417490.569348141826-0.0362393094858-0.001947331488560.8734488137230.01942559442080.743220682757-27.91823406276.30777813315-7.35762324566
402.15613392033-1.60854422965-2.228730218072.77406979941-0.3772614181774.676867114480.0570553119758-0.04987365648290.06912919604680.2315136911480.0753584552658-0.460540923987-0.576205336360.8310674055136.7805467939E-50.639874258957-0.0662754455333-0.01548294486060.7533035323350.05167722272860.805289382591-22.70115661037.11872342656-8.28631492464
410.176832522782-0.0192006821903-0.08764163019230.1198548110340.08243056391410.0780449514587-0.694757313551-0.0450922925151.051548377270.424589679454-1.164896840051.115523296170.566379588617-0.4145263630220.003068582136461.35356969022-0.166810009137-0.0464650605381.360407434030.2014118844740.8458820486228.33456259723.867128770832.6097101207
420.4797362508030.292421701888-0.3060088051420.8944488674830.1214707275380.286182728532-1.09335934123-0.1481859139710.4743813813030.2693906836341.22874455841-0.574615041557-2.405581253150.3021244978167.02548063235E-51.223599700910.007524711895340.02387619838230.598181439111-0.06100750161960.85616528438218.202167528529.307236345835.4079328326
433.18834661429-0.05822114965540.2228082079691.209181035081.327135760741.44449485249-0.4636420156630.7507853379271.03976902094-1.20416900090.06097337471010.3801216642590.168832662566-0.543711493445-0.1448902092161.45621735131-0.6280013565350.1041354846170.6069575405290.01329256796410.88565981464619.791853448433.197606502939.0403391129
440.092339849882-0.0434010101244-0.01700218568190.01652913433720.001933556178280.01794036343180.0413084418017-1.148693930511.848475326460.172858315638-0.6193419338330.460683876973-1.01633054499-0.630541672273-0.008476383313672.254241173990.2622862011220.347273043441.59535360028-0.0919595352631.5522270432811.033867187639.55566576241.7773831561
450.7731479250680.409246272794-0.09199853735670.459170817206-0.0683089470621-0.02200876208020.428044365291-0.14967146748-0.2326146716430.1367978167730.0889858879461-0.0306512272564-1.120619023-0.1754328900590.0006857735826181.52377059102-0.00167919591825-0.01973779939321.277376249480.3675239038410.9030750328826.7440501962725.73464944311.5173855082
461.303284893732.434635150840.3159178653363.34263558785-0.3460558160114.67488335399-0.2221670390010.3404224998520.189946658708-0.2601762567110.3900132397730.158110098246-1.22661310233-0.6349287980210.0001692379767981.256306528730.109793192824-0.008463131991530.7663104973580.07306781351090.82168693190712.216313009725.893592293421.4507163983
472.813578042110.972923563335-1.859969781454.34679869461-0.8048300932296.475710865720.09484050401990.0144686598709-0.08505805811380.23785031431-0.02479054098550.0972715601920.209615250331-0.0487054607208-0.0001773362556960.633578601107-0.049429130842-0.008420217546180.8724228548760.02911064383020.6535619255292.3352244299-1.4801396053-8.28011947222
480.6046145154170.1728010727251.036811944750.346341888412-0.4590188025112.541497855130.4254201955770.270899157933-1.20979121480.513474878759-0.0127289251902-0.684234586930.595880576039-0.357973819378-0.0005131989582390.791497209488-0.1281223848350.0228233235480.715441388815-0.04711196393780.9203279167339.597129667560.73574478064529.3936598825
491.25587766504-1.151349085290.6440325778725.334826082540.2991768037523.16671814374-0.056510051612-0.2637910149260.220783447999-0.149355515339-0.006312141469250.250434284066-0.339825949719-0.4541224794165.82732396285E-50.7659437617180.06999894985010.01926461476520.757011115036-0.02887358580990.6334965639618.2415682528711.082943828433.9973655458
500.1211547035090.371158582593-0.4249800068450.904308556947-0.02042149343072.02965838880.2851447813270.3073666134190.08467869418760.331145133562-0.5399820715220.435068377021-0.666056601638-0.665397045730.0009753086136190.880879110971-0.08185705434460.02192416516010.938973800152-0.0665859341620.8238087746935.068344538027.6625921281828.2518564008
51-0.100994779097-0.1978491754970.5072713303711.533729164510.6708641313711.88106315957-0.07397300513970.272649039368-0.1734870823910.2343241601920.177570197995-0.1581087032590.1186573851690.126696927663-0.0007114443556160.788548160686-0.1292716695250.02641724359940.9411763804840.0001801041072380.7912328111239.485098901151.3766606604619.1782740365
522.527898706241.074735557710.9984586758911.70873600778-1.675451247943.038549808330.112672392835-0.0291668317279-0.5159925302540.0881042411664-0.357840214021-0.3533960336630.3633735744081.04054034244-0.0001165413336560.772938753690.0427747082982-0.0222123732721.190013715730.07740453145330.80116387217413.7076827077-6.228532342071.70079124213
531.42857640011.465017305670.41245106191.300709600770.5551802376110.273989935296-0.471779106872-0.0934924853328-0.517405718734-0.218227435967-0.36999453837-0.008910515331581.11151331320.62262041699-0.004126528875930.8928848952540.315501954475-0.02754856615441.009139704540.1112850923230.95360074196314.3118015378-14.98221426594.90653621911
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 5 through 19 )AA5 - 191 - 15
22chain 'A' and (resid 20 through 36 )AA20 - 3616 - 22
33chain 'A' and (resid 37 through 44 )AA37 - 4423 - 30
44chain 'B' and (resid 2 through 18 )BB2 - 181 - 17
55chain 'B' and (resid 19 through 40 )BB19 - 4018 - 39
66chain 'B' and (resid 41 through 65 )BB41 - 6540 - 64
77chain 'B' and (resid 66 through 84 )BB66 - 8465 - 83
88chain 'B' and (resid 85 through 124 )BB85 - 12484 - 123
99chain 'B' and (resid 125 through 147 )BB125 - 147124 - 139
1010chain 'B' and (resid 148 through 216 )BB148 - 216140 - 208
1111chain 'B' and (resid 217 through 228 )BB217 - 228209 - 220
1212chain 'G' and (resid 5 through 9 )GC5 - 91 - 5
1313chain 'G' and (resid 10 through 19 )GC10 - 196 - 15
1414chain 'C' and (resid 4 through 106 )CD4 - 1061 - 103
1515chain 'C' and (resid 107 through 193 )CD107 - 193104 - 190
1616chain 'C' and (resid 194 through 216 )CD194 - 216191 - 213
1717chain 'D' and (resid 5 through 9 )DE5 - 91 - 5
1818chain 'D' and (resid 10 through 22 )DE10 - 226 - 18
1919chain 'E' and (resid 2 through 124 )EF2 - 1241 - 123
2020chain 'E' and (resid 125 through 227 )EF125 - 227124 - 219
2121chain 'H' and (resid 2 through 18 )HG2 - 181 - 17
2222chain 'H' and (resid 19 through 40 )HG19 - 4018 - 39
2323chain 'H' and (resid 41 through 52 )HG41 - 5240 - 51
2424chain 'H' and (resid 53 through 84 )HG53 - 8452 - 83
2525chain 'H' and (resid 85 through 100 )HG85 - 10084 - 99
2626chain 'H' and (resid 101 through 147 )HG101 - 147100 - 139
2727chain 'H' and (resid 148 through 170 )HG148 - 170140 - 162
2828chain 'H' and (resid 171 through 188 )HG171 - 188163 - 180
2929chain 'H' and (resid 189 through 216 )HG189 - 216181 - 208
3030chain 'H' and (resid 217 through 227 )HG217 - 227209 - 219
3131chain 'I' and (resid 4 through 25 )IH4 - 251 - 22
3232chain 'I' and (resid 26 through 51 )IH26 - 5123 - 48
3333chain 'I' and (resid 52 through 64 )IH52 - 6449 - 61
3434chain 'I' and (resid 65 through 119 )IH65 - 11962 - 115
3535chain 'I' and (resid 120 through 193 )IH120 - 193116 - 189
3636chain 'I' and (resid 194 through 216 )IH194 - 216190 - 212
3737chain 'F' and (resid 3 through 25 )FI3 - 251 - 23
3838chain 'F' and (resid 26 through 106 )FI26 - 10624 - 104
3939chain 'F' and (resid 107 through 135 )FI107 - 135105 - 133
4040chain 'F' and (resid 136 through 215 )FI136 - 215134 - 213
4141chain 'J' and (resid 5 through 9 )JJ5 - 91 - 5
4242chain 'J' and (resid 10 through 19 )JJ10 - 196 - 15
4343chain 'J' and (resid 20 through 36 )JJ20 - 3616 - 24
4444chain 'J' and (resid 37 through 44 )JJ37 - 4425 - 32
4545chain 'K' and (resid 2 through 18 )KK2 - 181 - 17
4646chain 'K' and (resid 19 through 124 )KK19 - 12418 - 123
4747chain 'K' and (resid 125 through 227 )KK125 - 227124 - 219
4848chain 'L' and (resid 4 through 25 )LL4 - 251 - 22
4949chain 'L' and (resid 26 through 78 )LL26 - 7823 - 75
5050chain 'L' and (resid 79 through 95 )LL79 - 9576 - 92
5151chain 'L' and (resid 96 through 124 )LL96 - 12493 - 121
5252chain 'L' and (resid 125 through 203 )LL125 - 203122 - 200
5353chain 'L' and (resid 204 through 215 )LL204 - 215201 - 212

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