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- PDB-4gxu: Crystal structure of antibody 1F1 bound to the 1918 influenza hem... -

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Basic information

Entry
Database: PDB / ID: 4gxu
TitleCrystal structure of antibody 1F1 bound to the 1918 influenza hemagglutinin
Components
  • (Antibody 1F1, ...) x 2
  • (Hemagglutinin ...) x 2
KeywordsVIRAL PROTEIN/IMMUNE SYSTEM / viral fusion protein / immunoglobulin / virus attachment and entry / immune recognition / VIRAL PROTEIN-IMMUNE SYSTEM complex
Function / homology
Function and homology information


viral budding from plasma membrane / 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
Biological speciesInfluenza A virus
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.294 Å
AuthorsEkiert, D.C. / Wilson, I.A.
CitationJournal: Plos Pathog. / Year: 2012
Title: Influenza Human Monoclonal Antibody 1F1 Interacts with Three Major Antigenic Sites and Residues Mediating Human Receptor Specificity in H1N1 Viruses.
Authors: Tsibane, T. / Ekiert, D.C. / Krause, J.C. / Martinez, O. / Crowe, J.E. / Wilson, I.A. / Basler, C.F.
History
DepositionSep 4, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 19, 2012Provider: repository / Type: Initial release
Revision 1.1Dec 26, 2012Group: Database references
Revision 2.0Dec 25, 2019Group: Database references / Derived calculations / Polymer sequence
Category: entity_poly / pdbx_struct_mod_residue ...entity_poly / pdbx_struct_mod_residue / struct_conn / struct_ref_seq_dif
Item: _entity_poly.pdbx_seq_one_letter_code_can / _pdbx_struct_mod_residue.parent_comp_id ..._entity_poly.pdbx_seq_one_letter_code_can / _pdbx_struct_mod_residue.parent_comp_id / _struct_conn.pdbx_leaving_atom_flag / _struct_ref_seq_dif.details
Revision 3.0Jul 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 / 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_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_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _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.pdbx_auth_asym_id / _atom_site_anisotrop.pdbx_auth_atom_id / _atom_site_anisotrop.pdbx_auth_comp_id / _atom_site_anisotrop.pdbx_auth_seq_id / _atom_site_anisotrop.pdbx_label_asym_id / _atom_site_anisotrop.pdbx_label_atom_id / _atom_site_anisotrop.pdbx_label_comp_id / _atom_site_anisotrop.type_symbol / _chem_comp.name / _chem_comp.type / _entity.formula_weight / _entity.pdbx_description / _entity.pdbx_number_of_molecules / _entity.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_seq_id_2 / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 3.1May 26, 2021Group: Source and taxonomy / Structure summary / Category: chem_comp / entity_src_gen
Item: _chem_comp.pdbx_synonyms / _entity_src_gen.pdbx_host_org_cell_line / _entity_src_gen.pdbx_host_org_strain
Revision 3.2Sep 13, 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
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 3.3Oct 30, 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 HA1 chain
B: Hemagglutinin HA2 chain
C: Hemagglutinin HA1 chain
D: Hemagglutinin HA2 chain
E: Hemagglutinin HA1 chain
F: Hemagglutinin HA2 chain
G: Hemagglutinin HA1 chain
H: Hemagglutinin HA2 chain
I: Hemagglutinin HA1 chain
J: Hemagglutinin HA2 chain
K: Hemagglutinin HA1 chain
L: Hemagglutinin HA2 chain
M: Antibody 1F1, heavy chain
N: Antibody 1F1, light chain
O: Antibody 1F1, heavy chain
P: Antibody 1F1, light chain
Q: Antibody 1F1, heavy chain
R: Antibody 1F1, light chain
S: Antibody 1F1, heavy chain
T: Antibody 1F1, light chain
U: Antibody 1F1, heavy chain
V: Antibody 1F1, light chain
W: Antibody 1F1, heavy chain
X: Antibody 1F1, light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)631,66842
Polymers625,49524
Non-polymers6,17418
Water00
1
A: Hemagglutinin HA1 chain
B: Hemagglutinin HA2 chain
C: Hemagglutinin HA1 chain
D: Hemagglutinin HA2 chain
E: Hemagglutinin HA1 chain
F: Hemagglutinin HA2 chain
M: Antibody 1F1, heavy chain
N: Antibody 1F1, light chain
O: Antibody 1F1, heavy chain
P: Antibody 1F1, light chain
Q: Antibody 1F1, heavy chain
R: Antibody 1F1, light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)315,83421
Polymers312,74712
Non-polymers3,0879
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area47690 Å2
ΔGint-172 kcal/mol
Surface area104930 Å2
MethodPISA
2
G: Hemagglutinin HA1 chain
H: Hemagglutinin HA2 chain
I: Hemagglutinin HA1 chain
J: Hemagglutinin HA2 chain
K: Hemagglutinin HA1 chain
L: Hemagglutinin HA2 chain
S: Antibody 1F1, heavy chain
T: Antibody 1F1, light chain
U: Antibody 1F1, heavy chain
V: Antibody 1F1, light chain
W: Antibody 1F1, heavy chain
X: Antibody 1F1, light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)315,83421
Polymers312,74712
Non-polymers3,0879
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area42890 Å2
ΔGint-151 kcal/mol
Surface area87320 Å2
MethodPISA
Unit cell
Length a, b, c (Å)153.711, 176.269, 168.120
Angle α, β, γ (deg.)90.00, 92.14, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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Hemagglutinin ... , 2 types, 12 molecules ACEGIKBDFHJL

#1: Protein
Hemagglutinin HA1 chain / Hemagglutinin receptor binding subunit


Mass: 36452.797 Da / Num. of mol.: 6 / Fragment: UNP residues 18-344
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Strain: A/South Carolina/1/1918 H1N1 / Gene: HA / Cell line (production host): High5 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: Q9WFX3
#2: Protein
Hemagglutinin HA2 chain / Hemagglutinin membrane fusion subunit


Mass: 20093.121 Da / Num. of mol.: 6 / Fragment: UNP residues 345-520
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Strain: A/South Carolina/1/1918 H1N1 / Gene: HA / Cell line (production host): High5 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: Q9WFX3

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Antibody , 2 types, 12 molecules MOQSUWNPRTVX

#3: Antibody
Antibody 1F1, heavy chain


Mass: 24914.973 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): 293 Freestyle / Production host: Homo sapiens (human)
#4: Antibody
Antibody 1F1, light chain


Mass: 22788.197 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): 293 Freestyle / Production host: Homo sapiens (human)

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Sugars , 2 types, 18 molecules

#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.: 6
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
#6: 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.: 12
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: 3.64 Å3/Da / Density % sol: 66.2 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.9
Details: 8.5% PEG6000, 100 mM Tris, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 70 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL11-1 / Wavelength: 0.979 Å
DetectorType: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Jan 9, 2009
RadiationMonochromator: double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 3.294→50 Å / Num. obs: 108722 / % possible obs: 80.6 % / Observed criterion σ(I): -3 / Redundancy: 3.4 % / Biso Wilson estimate: 104.24 Å2 / Rsym value: 0.06 / Net I/σ(I): 14.2
Reflection shellResolution: 3.294→3.42 Å / Redundancy: 2.3 % / Mean I/σ(I) obs: 1.9 / Rsym value: 0.52 / % possible all: 34.9

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Processing

Software
NameVersionClassification
Blu-Icedata collection
PHASERphasing
PHENIX(phenix.refine: 1.8_1069)refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4GXV

4gxv


Resolution: 3.294→35.036 Å / Occupancy max: 1 / Occupancy min: 0.14 / SU ML: 0.36 / σ(F): 1.34 / Phase error: 34.18 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2547 5428 5.01 %RANDOM
Rwork0.2188 102884 --
obs0.2206 108312 80.14 %-
Solvent computationShrinkage radii: 1.2 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 308.71 Å2 / Biso mean: 109.4148 Å2 / Biso min: 18.36 Å2
Refinement stepCycle: LAST / Resolution: 3.294→35.036 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms37154 0 402 0 37556
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00539522
X-RAY DIFFRACTIONf_angle_d1.24553879
X-RAY DIFFRACTIONf_chiral_restr0.0695934
X-RAY DIFFRACTIONf_plane_restr0.0066981
X-RAY DIFFRACTIONf_dihedral_angle_d15.47314445
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 (%)
3.294-3.3310.4306700.38271282135230
3.331-3.37010.3403800.33521462154235
3.3701-3.41120.3584800.33041550163036
3.4112-3.45440.377900.34731794188442
3.4544-3.49980.4249960.3362070216649
3.4998-3.54770.36271180.32872236235452
3.5477-3.59830.31921270.30092370249755
3.5983-3.6520.32991320.29372565269760
3.652-3.7090.34731550.30352720287565
3.709-3.76970.34281500.2732971312169
3.7697-3.83460.30721750.27083124329973
3.8346-3.90430.311790.27263342352178
3.9043-3.97930.32221860.24953492367883
3.9793-4.06040.30451970.23973841403890
4.0604-4.14850.27972050.23064013421894
4.1485-4.24490.27182430.22374169441298
4.2449-4.35080.2682250.22284241446699
4.3508-4.46820.23182250.21342404465100
4.4682-4.59940.24262090.19394278448799
4.5994-4.74760.2452530.195142494502100
4.7476-4.91680.23872090.194742674476100
4.9168-5.11310.23332400.190342554495100
5.1131-5.3450.22642130.187942854498100
5.345-5.62570.2212340.193942604494100
5.6257-5.97660.23372260.194742944520100
5.9766-6.43540.22492170.200743234540100
6.4354-7.07820.23322300.212742914521100
7.0782-8.09150.23642110.199943444555100
8.0915-10.15310.2032270.188943144541100
10.1531-35.03820.26512260.22874242446897
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)
10.37530.3651-0.24310.95610.23410.5025-0.16290.38610.3397-0.1690.00980.5078-0.3976-0.418-0.30920.57650.008-0.1390.25650.14470.5308-115.6498-60.8522-91.6202
23.5270.2781.21910.7362-0.16950.9697-0.23590.11060.3365-0.2763-0.06930.586-0.1169-0.6850.16980.4197-0.1431-0.11291.165-0.07480.6744-154.4749-90.5576-111.2463
30.5434-0.1181-0.47390.41220.12270.9141-0.0653-0.01540.08790.2490.17450.37660.0559-0.46820.59870.1310.30150.34170.3671-0.18360.0989-116.4889-84.4269-65.9224
41.27310.539-0.00391.0759-0.12330.47760.02770.1172-0.3059-0.1496-0.10430.56130.2571-0.779-0.15830.4007-0.31040.05361.0226-0.03250.8987-153.8731-106.4489-96.3236
51.50210.59090.42490.86970.20790.226-0.28150.48890.0553-0.30370.3449-0.13150.0094-0.0288-0.02120.29050.02680.11060.3518-0.14070.2637-97.1943-90.4369-94.5673
61.82010.43341.10191.53490.64051.8062-0.1440.72-0.5495-0.35430.19030.23950.1212-0.0408-0.00090.3336-0.22230.06111.0117-0.11250.6437-142.3469-108.2463-114.581
72.11050.64420.81910.2818-0.10250.77820.28730.0260.38430.2838-0.12420.2213-0.0989-0.1489-0.07640.6198-0.0099-0.0520.7555-0.07120.6301-121.6755-58.438-157.5903
82.38821.75560.54672.1471.30550.9787-0.08920.02360.41180.1533-0.08360.0322-0.45380.09220.2141.0413-0.3679-0.31460.61850.12880.646-74.9189-44.5982-138.5567
91.43320.84420.50430.67390.13790.36810.4793-0.3636-0.29140.4482-0.4884-0.24930.3314-0.11140.14721.0394-0.1721-0.07780.4474-0.08590.6943-108.0414-91.0314-155.8284
102.0306-0.07911.36070.54650.40942.21570.2284-0.5987-0.28340.5228-0.3439-0.60150.02850.433-0.12181.0496-0.3736-0.42670.90340.31710.7268-66.8603-64.6938-136.3855
110.6570.59380.74180.6410.06251.05430.12030.6655-0.2901-0.0652-0.0296-0.2541-0.04090.1569-0.01330.56210.2861-0.09131.184-0.32570.5232-101.5004-70.6783-184.5905
123.33720.47060.7421.05970.04460.7103-0.0350.1942-0.09980.3434-0.1495-0.5513-0.20620.40260.18670.7025-0.1692-0.20610.64720.29810.4873-62.6353-52.8383-154.0401
131.34620.4407-0.34420.6777-0.09090.4339-0.22350.232-0.1711-0.13020.16680.12820.1269-0.04750.07260.9901-0.4432-0.01130.27930.14250.351-70.7854-45.2973-99.4809
141.6498-0.58590.13522.04250.33851.2255-0.0970.0234-0.24110.55920.3249-0.64910.42970.3099-0.13491.05470.0628-0.16240.4663-0.33180.6531-32.2325-37.9575-94.7299
150.59520.662-0.06970.84380.03390.13820.0418-0.09550.28330.2447-0.10710.0782-0.22070.11530.0270.9508-0.32710.03060.08640.10280.351-70.2168-38.3236-79.1859
161.71180.8605-0.69941.764-0.30672.18060.1367-0.0242-0.17540.0770.1095-0.14650.207-0.1180.09720.4795-0.2367-0.02740.2121-0.02490.4094-38.3304-25.0564-87.6702
170.7615-0.2534-0.10120.64270.07450.71240.1491-0.21260.59760.2296-0.02270.1457-0.4438-0.18040.05880.76080.26270.41060.7908-0.42810.9139-103.772-44.2046-43.379
181.0448-0.753-0.01391.48420.34230.94750.0639-0.31780.5877-0.07990.2158-0.8362-0.11350.5955-0.48830.65740.29230.00450.9113-0.49290.9628-84.6653-53.1187-39.078
191.2043-0.1112-0.09371.4912-0.69041.5073-0.0134-0.172-0.32670.7186-0.2735-0.5499-0.02810.27780.14690.80010.1192-0.46210.3671-0.03481.2085-66.5591-94.9698-57.6795
201.0037-0.4358-0.09710.2035-0.08510.97840.7438-0.45580.20510.0554-0.0274-0.12410.32450.0818-0.37411.5057-0.3993-0.53612.29280.55661.6522-46.4576-85.6161-25.9668
212.80640.90890.2941.6178-0.45093.38220.1564-0.11880.24670.6244-0.2231-0.8845-0.66410.6608-0.09510.6856-0.0383-0.2750.678-0.05791.4542-57.333-76.8407-64.0044
220.71150.5513-0.00731.8594-0.83682.306-0.1784-0.21350.3322-0.1391-0.20630.1578-0.01520.20860.24961.9184-0.5892-0.85472.00520.32091.5467-34.2816-82.4973-36.2437
231.30480.47-0.25560.5182-0.53510.60950.0763-0.0745-0.17310.18040.13720.02740.5104-0.4407-0.10921.3332-0.4221-0.12151.5364-0.09310.772-160.985-85.3195-151.0531
241.52180.70320.8880.46880.13491.33830.07110.11130.0646-0.25830.09590.51130.6569-0.6492-0.13430.995-0.3617-0.18182.1485-0.02430.8723-166.409-80.9728-171.3486
250.7807-0.1728-0.30170.79410.54481.11180.37310.5902-0.6493-0.3282-0.30850.5122-0.035-0.27890.1251.27980.625-0.68721.2158-0.62321.5296-123.1627-119.1162-191.6961
261.22230.3886-0.54151.07110.5290.75750.14890.3713-0.5197-0.1901-0.19850.8094-0.1347-0.7460.00421.16590.3352-0.53991.653-0.73682.2244-143.0989-116.758-184.7319
272.7341-1.34541.31711.689-0.39251.1419-0.12720.05350.3452-0.43680.27340.7597-0.1432-0.01990.05010.8541-0.096-0.39251.80540.47731.1773-140.5651-57.9299-208.3754
281.5259-0.07260.78440.83970.55040.8636-0.25420.3013-0.1689-0.22550.35240.44710.3036-0.0451-0.07091.0302-0.0623-0.37281.49470.2591.1823-144.4563-78.4264-212.8331
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain AA9 - 325
2X-RAY DIFFRACTION2chain BB1 - 171
3X-RAY DIFFRACTION3chain CC9 - 325
4X-RAY DIFFRACTION4chain DD1 - 171
5X-RAY DIFFRACTION5chain EE9 - 325
6X-RAY DIFFRACTION6chain FF1 - 171
7X-RAY DIFFRACTION7chain GG9 - 325
8X-RAY DIFFRACTION8chain HH1 - 171
9X-RAY DIFFRACTION9chain II9 - 325
10X-RAY DIFFRACTION10chain JJ1 - 171
11X-RAY DIFFRACTION11chain KK9 - 325
12X-RAY DIFFRACTION12chain LL1 - 171
13X-RAY DIFFRACTION13chain M and resid 1:113M1 - 113
14X-RAY DIFFRACTION14chain M and resid 114:215M114 - 215
15X-RAY DIFFRACTION15chain N and resid 1:107N1 - 107
16X-RAY DIFFRACTION16chain N and resid 108:209N108 - 209
17X-RAY DIFFRACTION17chain OO1 - 112
18X-RAY DIFFRACTION18chain PP1 - 106
19X-RAY DIFFRACTION19chain Q and resid 1:113Q1 - 113
20X-RAY DIFFRACTION20chain Q and resid 114:215Q114 - 215
21X-RAY DIFFRACTION21chain R and resid 1:107R1 - 107
22X-RAY DIFFRACTION22chain R and resid 108:209R108 - 209
23X-RAY DIFFRACTION23chain SS1 - 112
24X-RAY DIFFRACTION24chain TT1 - 106
25X-RAY DIFFRACTION25chain UU1 - 112
26X-RAY DIFFRACTION26chain VV1 - 106
27X-RAY DIFFRACTION27chain WW1 - 112
28X-RAY DIFFRACTION28chain XX1 - 106

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