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- PDB-6ysq: The hC4Nb8 complement inhibitory nanobody in complex with C4b -

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Basic information

Entry
Database: PDB / ID: 6ysq
TitleThe hC4Nb8 complement inhibitory nanobody in complex with C4b
Components
  • Complement C4 beta chain
  • Complement C4 gamma chain
  • Complement C4-A alpha chain
  • hC4Nb8 nanobody
KeywordsIMMUNE SYSTEM / Nanobody / inhibitor / complement C4b
Function / homology
Function and homology information


detection of molecule of bacterial origin / classical-complement-pathway C3/C5 convertase complex / positive regulation of opsonization / opsonization / complement component C1q complex binding / symbiont cell surface / complement binding / positive regulation of apoptotic cell clearance / Activation of C3 and C5 / complement activation ...detection of molecule of bacterial origin / classical-complement-pathway C3/C5 convertase complex / positive regulation of opsonization / opsonization / complement component C1q complex binding / symbiont cell surface / complement binding / positive regulation of apoptotic cell clearance / Activation of C3 and C5 / complement activation / endopeptidase inhibitor activity / Initial triggering of complement / complement activation, classical pathway / Regulation of Complement cascade / Post-translational protein phosphorylation / Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) / positive regulation of immune response / carbohydrate binding / blood microparticle / inflammatory response / axon / endoplasmic reticulum lumen / innate immune response / neuronal cell body / dendrite / synapse / extracellular space / extracellular exosome / extracellular region / plasma membrane
Similarity search - Function
: / Complement C4, MG1 domain / Alpha-2-macroglobulin, conserved site / Alpha-2-macroglobulin family thiolester region signature. / : / Alpha-macro-globulin thiol-ester bond-forming region / Anaphylatoxin, complement system domain / Anaphylatoxin domain signature. / Anaphylatoxin/fibulin / Anaphylatoxin, complement system ...: / Complement C4, MG1 domain / Alpha-2-macroglobulin, conserved site / Alpha-2-macroglobulin family thiolester region signature. / : / Alpha-macro-globulin thiol-ester bond-forming region / Anaphylatoxin, complement system domain / Anaphylatoxin domain signature. / Anaphylatoxin/fibulin / Anaphylatoxin, complement system / Anaphylotoxin-like domain / Anaphylatoxin domain profile. / Anaphylatoxin homologous domain / Netrin C-terminal Domain / Netrin module, non-TIMP type / UNC-6/NTR/C345C module / Alpha-macroglobulin, receptor-binding / Alpha-macroglobulin, receptor-binding domain superfamily / Macroglobulin domain MG4 / Macroglobulin domain MG3 / A-macroglobulin receptor binding domain / Macroglobulin domain MG4 / Macroglobulin domain MG3 / A-macroglobulin receptor / Netrin domain / NTR domain profile. / Tissue inhibitor of metalloproteinases-like, OB-fold / Alpha-2-macroglobulin / Macroglobulin domain / Alpha-2-macroglobulin, bait region domain / Alpha-macroglobulin-like, TED domain / Alpha-2-macroglobulin family / MG2 domain / A-macroglobulin TED domain / Alpha-2-macroglobulin bait region domain / Alpha-2-Macroglobulin / Alpha-2-macroglobulin family / Terpenoid cyclases/protein prenyltransferase alpha-alpha toroid / Immunoglobulin-like fold
Similarity search - Domain/homology
Complement C4-A / Complement C4-B
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.3 Å
AuthorsZarantonello, A. / Laursen, N.S. / Andersen, G.R.
Funding support Denmark, 1items
OrganizationGrant numberCountry
LundbeckfondenR155-2015-2666 Denmark
CitationJournal: J Immunol. / Year: 2020
Title: An Ultrahigh-Affinity Complement C4b-Specific Nanobody Inhibits In Vivo Assembly of the Classical Pathway Proconvertase.
Authors: Zarantonello, A. / Presumey, J. / Simoni, L. / Yalcin, E. / Fox, R. / Hansen, A. / Olesen, H.G. / Thiel, S. / Johnson, M.B. / Stevens, B. / Laursen, N.S. / Carroll, M.C. / Andersen, G.R.
History
DepositionApr 23, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 24, 2020Provider: repository / Type: Initial release
Revision 2.0Jul 29, 2020Group: Atomic model / Data collection ...Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / struct_asym / struct_conn
Item: _atom_site.auth_asym_id / _atom_site.auth_seq_id ..._atom_site.auth_asym_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_entity_id / _chem_comp.name / _pdbx_struct_assembly_gen.asym_id_list / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Aug 19, 2020Group: Database references / Structure summary / Category: chem_comp / citation / citation_author
Item: _chem_comp.pdbx_synonyms / _citation.country ..._chem_comp.pdbx_synonyms / _citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 2.2Sep 16, 2020Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 3.0May 5, 2021Group: Advisory / Atomic model ...Advisory / Atomic model / Author supporting evidence / Data collection / Database references / Derived calculations / Polymer sequence / Refinement description / Source and taxonomy / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / entity / entity_name_com / entity_poly / entity_poly_seq / entity_src_gen / entity_src_nat / pdbx_branch_scheme / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_poly_seq_scheme / pdbx_refine_tls_group / pdbx_struct_assembly / pdbx_struct_assembly_auth_evidence / pdbx_struct_assembly_gen / pdbx_unobs_or_zero_occ_residues / pdbx_validate_peptide_omega / pdbx_validate_torsion / struct_asym / struct_conf / struct_conn / struct_mon_prot_cis / struct_ncs_dom_lim / struct_ref / struct_ref_seq / struct_ref_seq_dif / struct_sheet_range
Item: _atom_site.auth_asym_id / _atom_site.label_asym_id ..._atom_site.auth_asym_id / _atom_site.label_asym_id / _atom_site.label_entity_id / _atom_site.label_seq_id / _atom_site_anisotrop.pdbx_auth_asym_id / _atom_site_anisotrop.pdbx_label_asym_id / _atom_site_anisotrop.pdbx_label_seq_id / _entity_src_gen.entity_id / _pdbx_branch_scheme.asym_id / _pdbx_branch_scheme.entity_id / _pdbx_branch_scheme.pdb_asym_id / _pdbx_entity_branch.entity_id / _pdbx_entity_branch_descriptor.entity_id / _pdbx_entity_branch_link.entity_id / _pdbx_entity_branch_list.entity_id / _pdbx_refine_tls_group.beg_auth_asym_id / _pdbx_refine_tls_group.beg_auth_seq_id / _pdbx_refine_tls_group.end_auth_asym_id / _pdbx_refine_tls_group.end_auth_seq_id / _pdbx_refine_tls_group.selection_details / _pdbx_struct_assembly.oligomeric_count / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_assembly_auth_evidence.details / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_validate_peptide_omega.auth_asym_id_1 / _pdbx_validate_peptide_omega.auth_asym_id_2 / _pdbx_validate_torsion.auth_asym_id / _struct_conf.beg_auth_asym_id / _struct_conf.beg_label_asym_id / _struct_conf.beg_label_seq_id / _struct_conf.end_auth_asym_id / _struct_conf.end_label_asym_id / _struct_conf.end_label_seq_id / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_seq_id / _struct_mon_prot_cis.label_asym_id / _struct_mon_prot_cis.label_seq_id / _struct_mon_prot_cis.pdbx_label_asym_id_2 / _struct_mon_prot_cis.pdbx_label_seq_id_2 / _struct_sheet_range.beg_auth_asym_id / _struct_sheet_range.beg_label_asym_id / _struct_sheet_range.beg_label_seq_id / _struct_sheet_range.end_auth_asym_id / _struct_sheet_range.end_label_asym_id / _struct_sheet_range.end_label_seq_id
Revision 3.1Jan 24, 2024Group: 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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Complement C4 beta chain
C: Complement C4-A alpha chain
E: Complement C4 gamma chain
B: Complement C4 beta chain
D: Complement C4-A alpha chain
F: Complement C4 gamma chain
G: hC4Nb8 nanobody
H: hC4Nb8 nanobody
hetero molecules


Theoretical massNumber of molelcules
Total (without water)392,42712
Polymers390,0818
Non-polymers2,3464
Water0
1
A: Complement C4 beta chain
C: Complement C4-A alpha chain
E: Complement C4 gamma chain
G: hC4Nb8 nanobody
hetero molecules


Theoretical massNumber of molelcules
Total (without water)196,2146
Polymers195,0404
Non-polymers1,1732
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Complement C4 beta chain
D: Complement C4-A alpha chain
F: Complement C4 gamma chain
H: hC4Nb8 nanobody
hetero molecules


Theoretical massNumber of molelcules
Total (without water)196,2146
Polymers195,0404
Non-polymers1,1732
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)131.200, 89.510, 231.200
Angle α, β, γ (deg.)90.000, 97.552, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
12
22

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
111LYSLYSCYSCYSAA20 - 6691 - 650
121ALAALATYRTYRCB757 - 12291 - 473
131GLNGLNALAALACB1256 - 1413500 - 657
141GLNGLNARGARGEC1462 - 16049 - 151
151GLYGLYVALVALEC1611 - 1744158 - 291
161NAGNAGBMABMAII1 - 3
1151NAGNAGBMABMAJJ1 - 3
271LYSLYSCYSCYSBD20 - 6691 - 650
281ALAALATYRTYRDE757 - 12291 - 473
291GLNGLNALAALADE1256 - 1413500 - 657
2101GLNGLNARGARGFF1462 - 16049 - 151
2111GLYGLYVALVALFF1611 - 1744158 - 291
2121NAGNAGBMABMAKK1 - 3
2161NAGNAGBMABMALL1 - 3
1132GLNGLNSERSERGG1 - 1231 - 123
2142GLNGLNSERSERHH1 - 1231 - 123

NCS ensembles :
ID
1
2

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Components

#1: Protein Complement C4 beta chain


Mass: 71761.688 Da / Num. of mol.: 2
Fragment: Acidic complement C4,C3 and PZP-like alpha-2-macroglobulin domain-containing protein 2
Source method: isolated from a natural source / Source: (natural) Homo sapiens (human) / References: UniProt: P0C0L4, UniProt: P0C0L5*PLUS
#2: Protein Complement C4-A alpha chain


Mass: 75509.922 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Homo sapiens (human) / References: UniProt: P0C0L4
#3: Protein Complement C4 gamma chain


Mass: 33085.602 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Homo sapiens (human) / References: UniProt: P0C0L5
#4: Antibody hC4Nb8 nanobody


Mass: 14683.265 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Production host: Escherichia coli (E. coli)
#5: Polysaccharide
beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}}LINUCSPDB-CARE
Has ligand of interestN

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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: 3.36 Å3/Da / Density % sol: 63.44 %
Crystal growTemperature: 292.15 K / Method: vapor diffusion, sitting drop / pH: 7
Details: The reservoir containing 100 mM HEPES-NaOH pH=7, 10% w/w PEG4000, 10% v/v 2-propanol was mixed 1:1 with the concentrated protein sample.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: PETRA III, EMBL c/o DESY / Beamline: P13 (MX1) / Wavelength: 0.9762 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jul 5, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9762 Å / Relative weight: 1
ReflectionResolution: 3.3→48.26 Å / Num. obs: 80517 / % possible obs: 99.87 % / Redundancy: 6.7 % / Biso Wilson estimate: 147.97 Å2 / CC1/2: 0.998 / Net I/σ(I): 11.73
Reflection shellResolution: 3.3→3.418 Å / Redundancy: 6.7 % / Mean I/σ(I) obs: 0.65 / Num. unique obs: 7914 / CC1/2: 0.341 / % possible all: 99.94

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Processing

Software
NameVersionClassification
PHENIX1.16_3549refinement
PHENIX1.16_3549refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5JTW
Resolution: 3.3→48.26 Å / SU ML: 0.5986 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 35.0822
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2718 1566 1.95 %
Rwork0.2206 78887 -
obs0.2216 80453 99.91 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 195.32 Å2
Refinement stepCycle: LAST / Resolution: 3.3→48.26 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms26297 0 0 0 26297
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.004626860
X-RAY DIFFRACTIONf_angle_d0.929136442
X-RAY DIFFRACTIONf_chiral_restr0.0584100
X-RAY DIFFRACTIONf_plane_restr0.00864733
X-RAY DIFFRACTIONf_dihedral_angle_d8.327816126
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.3-3.410.41761400.37477063X-RAY DIFFRACTION99.92
3.41-3.530.43311420.3537143X-RAY DIFFRACTION99.97
3.53-3.670.38591420.33577097X-RAY DIFFRACTION99.97
3.67-3.840.37011410.30587139X-RAY DIFFRACTION100
3.84-4.040.34251420.27687159X-RAY DIFFRACTION99.99
4.04-4.290.27241420.24857159X-RAY DIFFRACTION99.97
4.29-4.620.28321420.21687139X-RAY DIFFRACTION100
4.62-5.090.2581420.19777166X-RAY DIFFRACTION100
5.09-5.820.27131430.21147215X-RAY DIFFRACTION99.93
5.82-7.330.30031440.23267248X-RAY DIFFRACTION100
7.33-48.260.20161460.17117359X-RAY DIFFRACTION99.3
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
15.809485043230.2018179102520.8345843508686.61937101343-1.123544988274.991095057950.006909107288950.0461623903581.06590366506-0.337265646804-0.0429981550136-0.140859586761-0.6346793326230.1422926947490.03013866165491.61700426455-0.1778792063260.02063496494170.7552289023320.06033538634631.02881979895-23.401890339940.0867549193-77.4890585659
25.84187251605-3.530590480823.419605297748.95018721814-5.970613647118.95162453446-0.2439986132860.55486068498-0.254288434449-0.054139237830.043467697831-0.2703634714030.0836813930717-0.01287254135680.1705317285761.12121288905-0.07215311580880.1678297605810.82067881033-0.1717639000790.765151860512-24.27649709089.27022170964-54.0197124424
37.965360139731.28619775447-0.8429970905023.06961533535-2.189369623941.569033927040.500559858327-0.7137378737420.282976111042-0.341123839916-0.758880542455-0.3963809550220.1533178163161.390468794480.2629983618020.969035239961-0.02093215085760.04064666382492.060343977730.3090813787311.5739857042210.24626947211.71141211504-40.4168150885
44.854665148711.28402582281-1.43709967226.29710460305-2.727338406283.90262721517-0.3315514168420.1094257886840.471125733651-0.00225824654677-0.136673037166-1.30674837129-1.009302731091.419387601280.3430827480741.29913100252-0.494919051060.01603361328381.817743157940.4713160424912.1122021133914.084709704333.8670798711-59.6759956074
54.74301351261.64716213175-1.70078053435.34028529168-4.487900892586.77738335347-0.544242047418-0.2128049748451.74902549594-0.215683997692-0.491321931002-0.0679374244419-0.7529050746741.185928770870.9881372521761.78659044496-0.63282534781-0.07238596373451.144125090790.02038071359071.86402743605-6.2443027604346.1390324932-61.6146414842
61.78729160628-2.905261657322.793315121228.63759022812-5.199520196077.03471927441-0.329474601137-0.517393712990.26046087350.2400356612610.170184845008-0.469991630484-0.478270630845-0.6666708344490.2088017630231.19911337022-0.330375305571-0.005489716346671.29153743167-0.2287929960991.02227719562-21.662793981911.3055523108-28.237407733
7-0.1487912241212.73255918333-2.521011486945.25746759447-7.188313483918.081281926990.05837148575-0.3024154297940.0401708844942-1.10396718524-0.593788345885-0.659210046130.797465618750.9957292836530.8426389533761.27550820832-0.07307293196580.231090826441.568762569580.2604991937811.54655173287-9.1800958697627.012096972-63.8433114695
85.9893783753-0.505392228254-0.9305403817138.68031445423-1.676487904394.5842303069-0.1899388222420.008424678162020.0211617611094-0.411607236653-0.441202291233-0.3027807125370.1256275231991.654991808430.6506125807770.849493268196-0.1456675340560.008718753746291.174088008690.1179073434880.956608127449-15.4606650731-13.0851703248-22.5477729572
92.69150546623-2.224105051031.185824320727.83793462797-6.548413995928.4148814370.2456374767560.188134656907-0.535568169107-1.65204825231-0.1372462462070.8177233258521.901244210850.00857889045556-0.2473917818842.0183956898-0.2435740352010.07256378010210.990193443943-0.23030566611.32713578206-27.4316917356-13.3200492759-65.8811901415
101.273777039390.724311918223-0.9432573844393.41791109317-1.142884779023.16277035246-0.1995669206380.403374199241-0.290362797936-1.042406909040.04966486692360.415307982691.129689312440.04012762411340.1187795700032.87716058898-0.05269884510570.2495943058251.0900846068-0.06650178623591.28005987979-26.449827541921.579591481-107.576676433
1110.0236876431-2.575840135480.3076285477874.908052838321.2798090840910.3303935361-0.034119453049-1.8869374859-0.002939529293151.184826922750.005088700599420.55180405987-0.3157644166-0.8351287365820.01282300893711.01393791945-0.238933759830.1533144521271.66327068183-0.07475025279220.889724956275-41.53780184687.98037220926-17.0831400177
126.201048030393.221879703490.8223698079678.39768254252-1.305485144123.6159232849-0.347483531152-0.3330704515080.98337488562-0.8964266626130.03172069139670.4674436014630.0854785869327-0.1896642593260.327798287171.910346812090.171021568397-0.3302642093260.982382211638-0.05913311956811.03793987249-83.11665082840.1765147984-77.8070489238
135.15438998029-1.448523927530.2644755330287.27219880764-4.692261143159.24659216446-0.01058891245180.345276564269-0.1492002340230.06552589265670.1134697709830.5628659110390.167679556438-0.688740414887-0.1329109996951.24091589664-0.06536917936310.08787224875921.06257077225-0.1934261828350.901979495955-86.72352585679.32010753505-54.7973877029
148.186263521992.6472304881-3.401718829217.05903800581-0.863294976454.339396877630.304491031788-0.7613173160430.445371704783-0.355961082256-0.14156356456-0.143101285629-0.1348932173850.451208186367-0.182767127150.719242236304-0.122324812459-0.1326530009331.04503622513-0.08011918644980.74912466708-54.11085650951.46397840532-37.9429464306
153.349618375552.22451825446-0.7965858374138.10149273655-5.219362906117.20538381218-0.124334305768-0.4621894616760.08691995641990.4647309017620.2071506117160.00545316861266-1.077834030630.0120718876984-0.170887635041.347414102790.07967283716580.2125451113370.756172281879-0.05080993654941.31847323381-48.188740175734.1835705328-55.4195905465
169.823000588671.45668032782-3.714173111755.72221241302-3.069018552839.31388583113-0.213091720683-0.2470990202331.34715932918-0.653058789862-0.07218894542230.717016498745-0.3501018035040.2126538349480.2753707990311.481084756870.0263420205661-0.1192344031490.728059790384-0.279379454061.3846864339-67.839982208746.2829360131-60.2590607273
171.1414213301-1.72345439672.366453696375.48169272824-5.673088661187.20593583042-0.496494463774-0.402235535120.01199356388010.6679393654840.341051728406-0.130876279319-0.616355476424-1.009826044820.1526687090630.998874383445-0.08399799130730.1173500743751.24019856265-0.3091903852121.01512179485-86.855749355210.9077029333-28.8903366898
180.390447928873.02740166599-2.54998440594.65742174351-4.76865344485.10021871992-0.0803818281026-0.3463552083040.1628049067-1.44722712759-0.495012615567-0.3770188312470.6945113401730.1520004016350.7563974564341.403265728450.159256208997-0.04846067381461.283802649060.1762944002571.34337145419-70.507556050727.120189682-62.7276384981
196.234331503693.155211895454.755192271969.231306889662.4853678676210.0301427315-0.239825974549-0.441520389349-0.491842984273-0.07097087636390.278277377102-0.0240464661958-0.5891192562451.05450125882-0.05161851892350.82702497048-0.2129372370750.1592542508881.21312002430.0896546398730.951194341223-81.4701049297-13.7150022992-23.1174490442
204.16963941524-3.275140552472.822174893757.05528189979-4.163753682393.568771535520.1772695615890.174795213062-0.59086191728-2.324025992-0.04178741437160.7441943058821.41221929822-0.0377794603434-0.1552347135522.528035583-0.5157331650760.001831642523651.25062951331-0.2583228341131.38943366795-88.87890577-13.0722282923-67.0765643792
212.36389461967-1.16430346676-1.172786429524.522373425080.3216725704033.35993351861-0.4181170701540.646738805441-0.276759656694-2.096903524750.405914552397-0.1916144965560.9241617273860.1752137490190.03478239403093.57923545185-0.2424271509620.09425071930971.204034950170.0326159573191.34292854132-82.830044987421.374088587-107.861963873
226.51860341782-2.62133849948-1.339820870574.892373654750.4986104332586.95884137731-0.478763169024-0.783931632819-0.5194023033640.6595909339980.2654492215531.322331973380.109872606083-0.5924699860620.1923676700880.749714278033-0.1650652635080.1883688224151.69732250072-0.1057198912841.33841126207-107.7679298527.63389729067-19.9878814048
238.468005190386.37587688551-1.369037989729.44066203113-3.898951261692.12180032789-0.883822134731-0.588203985124-0.4412772979140.4178172176920.3736668864350.5078501622540.852738184544-0.5824462609920.5508991835382.16636813911-0.03639133910670.6041715099841.27076161537-0.2962378336951.88076309153-33.1576313375-43.4263495937-22.2134993365
248.224957626296.881128767130.08170626235325.72011937264-0.192294590444.42029977177-0.532029066467-0.284436921592-0.780850718976-0.04161593648090.34594172384-0.933987607811-0.331870321287-0.5427339618970.1541319674311.458230850960.1662039497590.3323529206811.031805602640.05454439039952.01234096748-99.2326287573-43.7022827983-24.3294167262
254.345459520714.4418577619-3.188680628378.43721891456-0.332204941813.15004591129-0.1570874564640.0830005110933-0.12093514622-0.222606530666-0.718613074894-0.6689746208531.207568912011.758685003280.7178698232781.161491946020.640037991370.05467614374762.780828697070.7712120413661.53391219394.54177001094-21.5870259943-26.9949576571
265.300395650155.37194466621-6.065329036039.12945596919-3.955752773267.88147865756-0.336345464133-0.0278563697405-0.517021566313-0.4562627624530.0859613950478-0.02203303954970.7099929035380.07763813191940.2821347288010.8751473916930.157389545984-0.04027427257582.180228866120.2449177062831.60037704636-61.2399985539-22.3299872219-26.1631549566
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-IDSelection details
1X-RAY DIFFRACTION1A20 - 139
2X-RAY DIFFRACTION2A140 - 236
3X-RAY DIFFRACTION3A237 - 361
4X-RAY DIFFRACTION4A362 - 468
5X-RAY DIFFRACTION5A469 - 568
6X-RAY DIFFRACTION6A569 - 605
7X-RAY DIFFRACTION7A606 - 670
8X-RAY DIFFRACTION8C832 - 934
9X-RAY DIFFRACTION9(resid 935:982 or resid 1321:1392) and chain C
10X-RAY DIFFRACTION10C983 - 1320
11X-RAY DIFFRACTION11G1 - 132
12X-RAY DIFFRACTION12B20 - 139
13X-RAY DIFFRACTION13B140 - 236
14X-RAY DIFFRACTION14B237 - 361
15X-RAY DIFFRACTION15B362 - 468
16X-RAY DIFFRACTION16B469 - 568
17X-RAY DIFFRACTION17B569 - 605
18X-RAY DIFFRACTION18B606 - 670
19X-RAY DIFFRACTION19D832 - 934
20X-RAY DIFFRACTION20(resid 935:982 or resid 1321:1392) and chain D
21X-RAY DIFFRACTION21D983 - 1320
22X-RAY DIFFRACTION22H1 - 132
23X-RAY DIFFRACTION23E1574 - 1744
24X-RAY DIFFRACTION24F1574 - 1744
25X-RAY DIFFRACTION25(resid 1393:1414 and chain C) and (resid 1462:1573 and chain E)
26X-RAY DIFFRACTION26(resid 1393:1414 and chain D) and (resid 1462:1573 and chain F)

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