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- PDB-5jw4: Structure of MEDI8852 Fab Fragment in Complex with H5 HA -

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Basic information

Entry
Database: PDB / ID: 5jw4
TitleStructure of MEDI8852 Fab Fragment in Complex with H5 HA
Components
  • (Hemagglutinin) x 2
  • (MEDI8852 heavy ...) x 2
  • (MEDI8852 light ...) x 2
KeywordsIMMUNE SYSTEM / Antibody Influenza Broadly Neutralizing
Function / homology
Function and homology information


clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / virion membrane / membrane
Similarity search - Function
Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / Hemagglutinin Ectodomain; Chain B - #10 / Hemagglutinin Ectodomain; Chain B / Hemagglutinin (Ha1 Chain); Chain: A; domain 1 / Haemagglutinin, alpha/beta domain, HA1 chain / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B ...Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / Hemagglutinin Ectodomain; Chain B - #10 / Hemagglutinin Ectodomain; Chain B / Hemagglutinin (Ha1 Chain); Chain: A; domain 1 / Haemagglutinin, alpha/beta domain, HA1 chain / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B / Viral capsid/haemagglutinin protein / Ribbon / Immunoglobulins / Alpha-Beta Complex / Immunoglobulin-like / Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Hemagglutinin / Hemagglutinin
Similarity search - Component
Biological speciesInfluenza A virus
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.7 Å
AuthorsNeu, U. / Collins, P.J. / Walker, P.A. / Vorlaender, M.K. / Ogrodowicz, R.W. / Martin, S.R. / Gamblin, S.J. / Skehel, J.J.
CitationJournal: Cell / Year: 2016
Title: Structure and Function Analysis of an Antibody Recognizing All Influenza A Subtypes.
Authors: Kallewaard, N.L. / Corti, D. / Collins, P.J. / Neu, U. / McAuliffe, J.M. / Benjamin, E. / Wachter-Rosati, L. / Palmer-Hill, F.J. / Yuan, A.Q. / Walker, P.A. / Vorlaender, M.K. / Bianchi, S. ...Authors: Kallewaard, N.L. / Corti, D. / Collins, P.J. / Neu, U. / McAuliffe, J.M. / Benjamin, E. / Wachter-Rosati, L. / Palmer-Hill, F.J. / Yuan, A.Q. / Walker, P.A. / Vorlaender, M.K. / Bianchi, S. / Guarino, B. / De Marco, A. / Vanzetta, F. / Agatic, G. / Foglierini, M. / Pinna, D. / Fernandez-Rodriguez, B. / Fruehwirth, A. / Silacci, C. / Ogrodowicz, R.W. / Martin, S.R. / Sallusto, F. / Suzich, J.A. / Lanzavecchia, A. / Zhu, Q. / Gamblin, S.J. / Skehel, J.J.
History
DepositionMay 11, 2016Deposition site: RCSB / Processing site: PDBE
Revision 1.0Aug 3, 2016Provider: repository / Type: Initial release
Revision 1.1Aug 10, 2016Group: Database references
Revision 1.2Nov 21, 2018Group: Advisory / Data collection ...Advisory / Data collection / Database references / Source and taxonomy / Structure summary
Category: entity / entity_src_gen ...entity / entity_src_gen / entity_src_nat / pdbx_validate_polymer_linkage / struct_ref / struct_ref_seq
Item: _entity.pdbx_mutation / _entity.src_method ..._entity.pdbx_mutation / _entity.src_method / _pdbx_validate_polymer_linkage.dist / _pdbx_validate_polymer_linkage.label_alt_id_1 / _struct_ref.db_code / _struct_ref.pdbx_align_begin / _struct_ref.pdbx_db_accession / _struct_ref_seq.db_align_beg / _struct_ref_seq.db_align_end / _struct_ref_seq.pdbx_db_accession
Revision 1.3Apr 3, 2019Group: Data collection / Source and taxonomy / Category: entity_src_gen / Item: _entity_src_gen.pdbx_host_org_cell_line
Revision 2.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / chem_comp / database_PDB_caveat / 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 / pdbx_unobs_or_zero_occ_atoms / pdbx_validate_chiral / pdbx_validate_close_contact / struct_asym / struct_conn / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_entity_id / _atom_site_anisotrop.U[1][1] / _atom_site_anisotrop.U[1][2] / _atom_site_anisotrop.U[1][3] / _atom_site_anisotrop.U[2][2] / _atom_site_anisotrop.U[2][3] / _atom_site_anisotrop.U[3][3] / _atom_site_anisotrop.id / _atom_site_anisotrop.pdbx_auth_asym_id / _atom_site_anisotrop.pdbx_auth_seq_id / _atom_site_anisotrop.pdbx_label_asym_id / _chem_comp.name / _chem_comp.type / _database_PDB_caveat.text / _pdbx_entity_nonpoly.entity_id / _pdbx_entity_nonpoly.name / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_unobs_or_zero_occ_atoms.label_asym_id / _pdbx_validate_chiral.auth_asym_id / _pdbx_validate_chiral.auth_seq_id / _pdbx_validate_chiral.details / _pdbx_validate_close_contact.auth_asym_id_1 / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_seq_id_1 / _pdbx_validate_close_contact.auth_seq_id_2 / _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 2.1Jan 10, 2024Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 2.2Nov 6, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Hemagglutinin
B: Hemagglutinin
C: Hemagglutinin
D: Hemagglutinin
E: Hemagglutinin
F: Hemagglutinin
G: Hemagglutinin
H: Hemagglutinin
I: Hemagglutinin
J: Hemagglutinin
K: Hemagglutinin
L: Hemagglutinin
M: MEDI8852 heavy chain
N: MEDI8852 light chain
O: MEDI8852 heavy chain
P: MEDI8852 light chain
Q: MEDI8852 heavy chain
R: MEDI8852 light chain
S: MEDI8852 heavy chain
T: MEDI8852 light chain
U: MEDI8852 heavy chain
V: MEDI8852 light chain
W: MEDI8852 heavy chain
X: MEDI8852 light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)618,41549
Polymers611,86824
Non-polymers6,54625
Water00
1
A: Hemagglutinin
B: Hemagglutinin
C: Hemagglutinin
D: Hemagglutinin
E: Hemagglutinin
F: Hemagglutinin
M: MEDI8852 heavy chain
N: MEDI8852 light chain
O: MEDI8852 heavy chain
P: MEDI8852 light chain
Q: MEDI8852 heavy chain
R: MEDI8852 light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)309,61624
Polymers306,35212
Non-polymers3,26412
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
G: Hemagglutinin
H: Hemagglutinin
I: Hemagglutinin
J: Hemagglutinin
K: Hemagglutinin
L: Hemagglutinin
S: MEDI8852 heavy chain
T: MEDI8852 light chain
U: MEDI8852 heavy chain
V: MEDI8852 light chain
W: MEDI8852 heavy chain
X: MEDI8852 light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)308,79825
Polymers305,51612
Non-polymers3,28213
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)151.260, 386.360, 165.860
Angle α, β, γ (deg.)90.000, 90.440, 90.000
Int Tables number5
Space group name H-MC121

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Components

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Protein , 2 types, 12 molecules ACEGIKBDFHJL

#1: Protein
Hemagglutinin


Mass: 36293.109 Da / Num. of mol.: 6 / Mutation: K198N
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Gene: HA / Production host: Gallus gallus (chicken) / References: UniProt: Q6DQ34
#2: Protein
Hemagglutinin


Mass: 18681.605 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Gene: HA / Production host: Gallus gallus (chicken) / References: UniProt: Q6DQ34, UniProt: Q6DQ18*PLUS

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Antibody , 4 types, 12 molecules MOSUWNPTVXQR

#3: Antibody
MEDI8852 heavy chain


Mass: 24413.189 Da / Num. of mol.: 5
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293T / Production host: Homo sapiens (human)
#4: Antibody
MEDI8852 light chain


Mass: 22450.832 Da / Num. of mol.: 5
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293T / Production host: Homo sapiens (human)
#5: Antibody MEDI8852 heavy chain


Mass: 24789.643 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293T / Production host: Homo sapiens (human)
#6: Antibody MEDI8852 light chain


Mass: 22910.350 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293T / Production host: Homo sapiens (human)

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Sugars , 2 types, 25 molecules

#7: Polysaccharide
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 5
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][a-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#8: 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.: 20
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

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Details

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: 3.96 Å3/Da / Density % sol: 68.94 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 16% PEG3350, 0.1 M PIPES pH 7.0, cryoprotected with 25% ethylene glycol

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9795 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Oct 17, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9795 Å / Relative weight: 1
ReflectionResolution: 3.7→29.796 Å / Num. obs: 98353 / % possible obs: 97.4 % / Observed criterion σ(I): -3 / Redundancy: 2.18 % / Biso Wilson estimate: 136.3 Å2 / CC1/2: 0.993 / Rmerge(I) obs: 0.123 / Net I/σ(I): 7.05
Reflection shell
Resolution (Å)Highest resolution (Å)Rmerge(I) obsMean I/σ(I) obsDiffraction-ID% possible all
3.7-3.80.9120.99198.3
3.8-3.90.7681.23198.3
3.9-4.010.621.57198.4
4.01-4.140.5021.94197.7
4.14-4.270.3742.55198.2
4.27-4.420.2773.55198
4.42-4.590.2124.41198
4.59-4.780.1965.06198.3
4.78-4.990.1745.53197.9
4.99-5.230.156.13197.9
5.23-5.520.1336.94198
5.52-5.850.1267.13198
5.85-6.250.1088.03198.6
6.25-6.760.0929.3197.8
6.76-7.40.06911.52198
7.4-8.270.04417.31196.1
8.27-9.550.03124.23193.5
9.55-11.70.02329.89194.9
11.7-16.550.0232.07194.3
16.550.01936.27174.5

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Processing

Software
NameVersionClassification
XSCALEdata scaling
PHENIX1.9_1692refinement
PDB_EXTRACT3.2data extraction
XDSdata reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4BGW and 5JW5

4bgw

5jw5


Resolution: 3.7→29.796 Å / SU ML: 0.61 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 31.62
RfactorNum. reflection% reflection
Rfree0.2851 4768 4.85 %
Rwork0.2736 --
obs0.2741 98333 97.62 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 268.13 Å2 / Biso mean: 152.8518 Å2 / Biso min: 99.46 Å2
Refinement stepCycle: final / Resolution: 3.7→29.796 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms41993 0 420 0 42413
Biso mean--155.41 --
Num. residues----5368
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01843499
X-RAY DIFFRACTIONf_angle_d1.4758971
X-RAY DIFFRACTIONf_chiral_restr0.076524
X-RAY DIFFRACTIONf_plane_restr0.0087590
X-RAY DIFFRACTIONf_dihedral_angle_d14.01615767
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.6999-3.74190.37011540.40363103325798
3.7419-3.78590.36641420.38293187332998
3.7859-3.83190.40031680.37373089325798
3.8319-3.88030.38621210.36373181330299
3.8803-3.93130.31361540.36783135328998
3.9313-3.9850.34531420.35353162330499
3.985-4.04180.35491880.35013081326998
4.0418-4.1020.37341420.35443128327097
4.102-4.16590.36321770.35033130330798
4.1659-4.2340.33691540.33163152330698
4.234-4.30680.341670.31973121328898
4.3068-4.38490.3021530.3083132328598
4.3849-4.4690.32061900.29273091328198
4.469-4.55990.29851650.28983112327798
4.5599-4.65870.29291720.28433148332098
4.6587-4.76660.2941500.28043111326198
4.7666-4.88530.30641750.27523127330298
4.8853-5.01680.27171780.28293113329198
5.0168-5.16370.25981430.27383129327298
5.1637-5.32950.29011830.26873109329298
5.3295-5.51880.28911610.26133158331998
5.5188-5.73820.29971730.26513094326798
5.7382-5.99740.27551620.2733134329699
5.9974-6.31080.26961640.26463164332898
6.3108-6.70190.29811400.26573118325898
6.7019-7.21260.28111740.26863160333498
7.2126-7.9260.26131590.2493084324397
7.926-9.04480.21341540.20253011316594
9.0448-11.29140.20691310.18943054318594
11.2914-29.79680.24031320.24583047317993
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)
11.40871.24582.99631.5289-0.07792.75710.1818-0.1374-0.50380.518-0.1363-0.30530.49790.1021-01.7032-0.1498-0.12011.30140.02561.413748.797646.080147.1352
21.15950.3034-2.41190.76120.0641.07190.1917-0.2617-0.68930.2278-0.04660.06320.10970.2458-02.05720.1519-0.51491.4507-0.12342.563581.186134.054249.97
33.12311.1611-1.03041.99971.78260.75920.4652-0.4012-1.8172-0.009-0.2161-1.05640.48430.711601.92330.3488-0.34981.9695-0.04722.889101.318832.573150.5838
41.0741.30451.57860.6508-0.10292.99290.01780.3277-0.46710.0780.00310.02120.1403-0.26920.01661.3863-0.0809-0.05351.2433-0.271.534234.313356.556335.143
51.9478-2.47962.01422.7679-0.86271.3315-0.05510.8107-0.5328-0.027-0.0062-0.2387-0.10850.4539-01.4323-0.138-0.02521.5399-0.2081.004860.156964.306617.2051
61.92291.19032.22030.8535-1.81431.97530.07580.8543-0.1814-0.48530.2970.05640.71710.777801.5259-0.0632-0.05342.31640.00531.625394.145662.713923.6638
74.35052.3339-1.63190.83320.10064.6091-0.08370.7523-0.5989-0.11460.5141-0.50620.55541.7825-01.61850.2302-0.29662.5816-0.31541.8185112.130159.74432.3286
80.8425-1.88020.77552.0533-0.33371.8091-0.17560.51380.03540.1119-0.0710.0062-0.2622-0.0428-0.01331.4706-0.0413-0.08381.2936-0.00381.244841.241371.943822.5069
95.3240.8115-1.61421.10090.553-0.0939-0.3212-0.37630.40780.15230.1842-0.5135-0.45870.2838-01.771-0.0683-0.22741.1317-0.16871.025956.930281.760849.2122
102.3349-0.36171.0610.2279-1.23911.47480.1831-0.7440.09020.2967-0.0843-0.0284-0.0801-0.1025-01.8437-0.0817-0.29451.7806-0.09921.508887.584272.166962.4774
114.5859-0.29582.11630.6868-0.09044.1240.0547-0.4101-0.0188-0.00430.2734-0.29930.15250.34-01.8399-0.063-0.27951.70430.04111.4709105.399663.130665.4858
122.3446-1.23-0.74841.42290.00371.1232-0.0519-0.1055-0.65210.1320.01940.289-0.1579-0.2526-0.0031.690.0405-0.12341.1981-0.10691.17337.032576.211942.9654
133.6099-0.83691.50461.524-0.3255-0.4222-0.4004-0.7956-0.03270.56720.07740.78980.5183-0.120201.7249-0.28420.36111.29910.04672.048198.4544-60.414148.8936
140.1879-0.605-0.36810.40061.23321.4778-0.0889-0.79920.44640.13380.12670.0256-0.0198-0.4009-01.9693-0.32110.67352.3226-0.17272.721369.035-50.143364.0505
15-0.2947-0.9442-0.40580.8724-1.3670.8111-0.3254-0.65890.77380.26610.25921.1379-0.0869-0.624-02.0916-0.34320.74652.6955-0.4783.611951.328-41.160367.6685
163.05751.88971.47590.4325-0.45261.4249-0.1274-0.2791.2990.15560.0071-0.247-0.0040.16030.00131.6324-0.11380.12741.30070.07871.3837117.4161-55.291240.4182
170.9658-0.2946-2.29170.06570.85583.0583-0.1051-0.00940.75410.2788-0.17410.2156-0.4509-0.278201.6663-0.20650.11721.37910.07152.2729105.4719-24.93542.7584
181.1618-0.1590.98470.73980.135-0.25350.0469-0.45531.19990.2585-0.5004-0.05970.1148-0.494202.06050.24650.1061.7597-0.09573.969473.0889-13.284247.122
190.24571.61250.34851.1380.16770.53450.1722-0.24750.42190.2418-0.00930.24780.1971-0.944602.13990.48180.21172.5828-0.21274.071153.0347-12.343649.3873
201.57870.8019-2.54391.25210.32263.4692-0.4170.6323-0.19460.1802-0.00590.08530.0211-0.07450.01651.3525-0.1190.19371.26220.35472.1551119.2373-36.253630.6415
211.2379-0.2307-1.60452.07810.60021.618-0.37110.71790.8879-0.05540.12530.84220.3725-0.394301.4134-0.1587-0.01311.51940.37622.04992.0542-45.83815.5828
220.6349-0.424-1.18440.9652-0.48490.94240.16920.09951.098-0.395-0.05250.3016-0.4576-0.457101.374-0.3066-0.03642.14370.02493.630658.6807-44.534424.7066
232.3994-0.053-0.35032.4204-0.51283.57580.2337-0.05410.302-0.1154-0.11820.1982-0.5484-1.410101.5447-0.11760.19442.22980.01133.686141.4027-41.378634.6279
242.7559-0.8089-0.31421.37210.79622.0899-0.10290.22450.1845-0.07850.03510.42410.16620.2608-0.01491.5079-0.10930.17951.24970.25851.856111.4004-52.707619.973
252.25571.4497-2.57564.69550.44811.95950.1686-0.5313-0.28370.5424-0.37530.16890.3647-0.589301.3653-0.21640.04481.4519-0.1131.383717.109529.585136.963
262.04930.35630.82491.41990.27522.87760.2554-0.89810.11920.89190.1554-0.45531.0384-0.3181-01.8303-0.3280.0211.67440.0721.690121.9067-1.640928.8405
271.6410.817-0.32572.1834-2.61376.11460.4460.9464-0.6068-0.3539-0.58480.00080.06230.3454-01.40840.1602-0.10291.7355-0.16761.048840.376582.8911-8.0379
281.0031-0.14880.37681.5665-0.19160.64350.71160.8936-0.4094-0.6564-0.3153-1.13190.24580.394601.84410.39330.18622.38930.1371.466560.319199.731-26.6467
292.4103-1.6971-0.87263.71071.66723.29320.2764-0.14130.5003-0.066-0.1986-0.0347-0.622-0.347401.70460.11770.08541.17280.01641.15126.731399.522562.764
304.3201-0.9168-1.24744.2976-1.6752.96020.0533-0.9044-0.07030.2075-0.5981-0.28920.03871.1054-01.6990.0030.10661.56590.04861.2789129.7194-76.760961.2715
31-0.2331-1.4477-0.01280.4668-0.32250.5235-0.0847-0.8797-0.27240.52420.15820.64740.43081.638102.0276-0.15110.05973.2630.46262.1522128.7067-82.178593.2304
323.62510.65641.50992.7864-0.81991.87720.3797-0.6251-0.17360.4221-0.1147-0.2312-0.30840.094201.4091-0.28150.01711.33060.17631.7019136.5194-9.212729.6983
331.87050.1319-1.26431.27960.76871.4129-0.2368-0.6790.19090.3833-0.0372-0.1412-1.1615-0.0489-02.1916-0.0484-0.02981.4375-0.01171.6975130.969121.528921.0979
340.53083.43531.34262.09322.2473.82360.13460.72280.5972-0.3031-0.3019-0.0204-0.4152-0.035701.39430.26770.06691.74260.36731.4667109.1641-66.501-9.4933
350.2996-0.0264-0.30390.8041-0.10161.08750.29410.89740.2132-0.0708-0.55310.79580.5123-0.582701.73110.3022-0.1292.51080.03921.747287.2049-84.9999-23.6711
364.21810.9368-1.94042.31392.51825.3303-0.1757-0.0509-0.0852-0.24040.3215-0.098-0.27090.074601.2343-0.23120.00981.2085-0.10451.459634.547429.252321.6474
372.3581-1.3985-3.28662.17830.36682.6312-0.10670.2969-0.3994-0.0467-0.008-0.00240.5936-0.487701.6982-0.2528-0.13531.173-0.01131.901922.9002-4.306512.4625
381.10181.91150.34162.4584-1.06951.71840.13540.21780.81520.3732-0.4626-0.2406-0.81190.705-01.7302-0.1502-0.17021.89710.10991.086353.899394.89796.4633
392.34170.8112-0.12893.341.47642.20050.3280.51830.2783-0.0803-0.4599-0.617-0.6548-0.015901.6633-0.03620.10982.5340.4761.598162.2453115.7374-22.9501
402.6583-1.8239-3.64532.01450.06922.4625-0.1118-0.7773-0.970.6557-0.01510.19820.4696-0.0809-01.8434-0.005-0.18461.39780.21651.203732.942879.849873.1979
410.4913-1.46591.75571.27850.23132.2934-0.3275-0.79840.67580.45430.3165-0.3682-1.09330.5893-02.4578-0.4310.34031.808-0.33641.5662124.2734-56.388970.7401
421.0511-0.00460.86131.02560.03860.7157-0.4545-0.662-0.00320.6179-0.183-0.19170.02150.762902.3422-0.3417-0.00313.8540.16781.7837136.3657-71.2605102.792
432.4347-0.28451.2051.2258-2.86253.4563-0.33790.1888-0.0458-0.49470.28210.2874-0.18260.012-01.4752-0.2349-0.05821.23650.12741.8136118.0853-9.63615.4889
442.864-1.49331.9260.881.25890.055-0.39090.01370.3028-0.17830.0378-0.3094-0.45290.2267-02.0294-0.06430.00471.34860.02451.6058128.804823.87424.9406
450.7785-0.6128-0.68934.0860.78582.9630.1607-0.04390.00990.428-0.4296-0.12880.3817-0.8269-01.5325-0.26570.08441.92430.20531.269797.7781-77.27527.6289
462.17041.7901-0.5672.13860.46430.69090.43360.5849-0.2106-0.1966-0.55360.56230.4671-0.175201.7492-0.0012-0.19872.4301-0.15881.698186.0042-100.7205-18.5487
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain A and (resseq 1:46 or resseq 266:321)A1 - 46
2X-RAY DIFFRACTION1chain A and (resseq 1:46 or resseq 266:321)A266 - 321
3X-RAY DIFFRACTION2chain A and (resseq 47:111 or resseq 256:265)A47 - 111
4X-RAY DIFFRACTION2chain A and (resseq 47:111 or resseq 256:265)A256 - 265
5X-RAY DIFFRACTION3chain A and (resseq 112:255)A112 - 255
6X-RAY DIFFRACTION4chain BB1 - 162
7X-RAY DIFFRACTION5chain C and (resseq 1:46 or resseq 266:321)C1 - 46
8X-RAY DIFFRACTION5chain C and (resseq 1:46 or resseq 266:321)C266 - 321
9X-RAY DIFFRACTION6chain C and (resseq 47:111 or resseq 256:265)C47 - 111
10X-RAY DIFFRACTION6chain C and (resseq 47:111 or resseq 256:265)C256 - 265
11X-RAY DIFFRACTION7chain C and (resseq 112:255)C112 - 255
12X-RAY DIFFRACTION8chain DD1 - 162
13X-RAY DIFFRACTION9chain E and (resseq 1:46 or resseq 266:321)E1 - 46
14X-RAY DIFFRACTION9chain E and (resseq 1:46 or resseq 266:321)E266 - 321
15X-RAY DIFFRACTION10chain E and (resseq 47:111 or resseq 256:265)E47 - 111
16X-RAY DIFFRACTION10chain E and (resseq 47:111 or resseq 256:265)E256 - 265
17X-RAY DIFFRACTION11chain E and (resseq 112:255)E112 - 255
18X-RAY DIFFRACTION12chain FF1 - 162
19X-RAY DIFFRACTION13chain G and (resseq 1:46 or resseq 266:321)G1 - 46
20X-RAY DIFFRACTION13chain G and (resseq 1:46 or resseq 266:321)G266 - 321
21X-RAY DIFFRACTION14chain G and (resseq 47:111 or resseq 256:265)G47 - 111
22X-RAY DIFFRACTION14chain G and (resseq 47:111 or resseq 256:265)G256 - 265
23X-RAY DIFFRACTION15chain G and (resseq 112:255)G112 - 255
24X-RAY DIFFRACTION16chain HH1 - 162
25X-RAY DIFFRACTION17chain I and (resseq 1:46 or resseq 266:321)I1 - 46
26X-RAY DIFFRACTION17chain I and (resseq 1:46 or resseq 266:321)I266 - 321
27X-RAY DIFFRACTION18chain I and (resseq 47:111 or resseq 256:265)I47 - 111
28X-RAY DIFFRACTION18chain I and (resseq 47:111 or resseq 256:265)I256 - 265
29X-RAY DIFFRACTION19chain I and (resseq 112:255)I112 - 255
30X-RAY DIFFRACTION20chain JJ1 - 162
31X-RAY DIFFRACTION21chain K and (resseq 1:46 or resseq 266:321)K1 - 46
32X-RAY DIFFRACTION21chain K and (resseq 1:46 or resseq 266:321)K266 - 321
33X-RAY DIFFRACTION22chain K and (resseq 47:111 or resseq 256:265)K47 - 111
34X-RAY DIFFRACTION22chain K and (resseq 47:111 or resseq 256:265)K256 - 265
35X-RAY DIFFRACTION23chain K and (resseq 112:255)K112 - 255
36X-RAY DIFFRACTION24chain LL1 - 162
37X-RAY DIFFRACTION25chain M and resseq 1:128M1 - 128
38X-RAY DIFFRACTION26chain M and resseq 129:229M129 - 229
39X-RAY DIFFRACTION27chain O and resseq 1:128O1 - 128
40X-RAY DIFFRACTION28chain O and resseq 129:229O129 - 229
41X-RAY DIFFRACTION29chain Q and resseq 1:128Q1 - 128
42X-RAY DIFFRACTION30chain S and resseq 1:128S1 - 128
43X-RAY DIFFRACTION31chain S and resseq 129:229S129 - 229
44X-RAY DIFFRACTION32chain U and resseq 1:128U1 - 128
45X-RAY DIFFRACTION33chain U and resseq 129:229U129 - 229
46X-RAY DIFFRACTION34chain W and resseq 1:128W1 - 128
47X-RAY DIFFRACTION35chain W and resseq 129:229W129 - 229
48X-RAY DIFFRACTION36chain N and resseq 1:104N1 - 104
49X-RAY DIFFRACTION37chain N and resseq 105:210N105 - 210
50X-RAY DIFFRACTION38chain P and resseq 1:104P1 - 104
51X-RAY DIFFRACTION39chain P and resseq 105:210P105 - 210
52X-RAY DIFFRACTION40chain R and resseq 1:104R1 - 104
53X-RAY DIFFRACTION41chain T and resseq 1:104T1 - 104
54X-RAY DIFFRACTION42chain T and resseq 105:210T105 - 210
55X-RAY DIFFRACTION43chain V and resseq 1:104V1 - 104
56X-RAY DIFFRACTION44chain V and resseq 105:210V105 - 210
57X-RAY DIFFRACTION45chain X and resseq 1:104X1 - 104
58X-RAY DIFFRACTION46chain X and resseq 105:210X105 - 210

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