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- PDB-4cqx: H5 (tyTy) Del133/Ile155Thr Mutant Haemagglutinin in Complex with ... -

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Basic information

Entry
Database: PDB / ID: 4cqx
TitleH5 (tyTy) Del133/Ile155Thr Mutant Haemagglutinin in Complex with Human Receptor Analogue 6'SLN
Components(HAEMAGGLUTININ ...Hemagglutinin) x 2
KeywordsVIRAL PROTEIN / SIALIC ACID / GLYCOPROTEIN / VIRUS RECEPTOR / AVIAN FLU / SIALYLLACTOSAMINE / 3SLN / 3'SLN / 6SLN / 6'SLN / LSTA
Function / homology
Function and homology information


viral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / apical plasma membrane / 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
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 / Alpha-Beta Complex / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
6'-sialyl-N-acetyllactosamine / PHOSPHATE ION / Hemagglutinin
Similarity search - Component
Biological speciesINFLUENZA A VIRUS
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å
AuthorsXiong, X. / Xiao, H. / Martin, S.R. / Coombs, P.J. / Liu, J. / Collins, P.J. / Vachieri, S.G. / Walker, P.A. / Lin, Y.P. / McCauley, J.W. ...Xiong, X. / Xiao, H. / Martin, S.R. / Coombs, P.J. / Liu, J. / Collins, P.J. / Vachieri, S.G. / Walker, P.A. / Lin, Y.P. / McCauley, J.W. / Gamblin, S.J. / Skehel, J.J.
CitationJournal: Virology / Year: 2014
Title: Enhanced Human Receptor Binding by H5 Haemagglutinins.
Authors: Xiong, X. / Xiao, H. / Martin, S.R. / Coombs, P.J. / Liu, J. / Collins, P.J. / Vachieri, S.G. / Walker, P.A. / Lin, Y.P. / Mccauley, J.W. / Gamblin, S.J. / Skehel, J.J.
History
DepositionFeb 21, 2014Deposition site: PDBE / Processing site: PDBE
Revision 1.0May 28, 2014Provider: repository / Type: Initial release
Revision 1.1Jun 11, 2014Group: Database references
Revision 2.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Other / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / database_PDB_caveat / entity / entity_name_com / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_database_status / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_molecule_features / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / 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 / _chem_comp.name / _chem_comp.type / _pdbx_database_status.status_code_sf / _pdbx_struct_assembly_gen.asym_id_list / _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
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Dec 20, 2023Group: 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 / struct_ncs_dom_lim
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _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: HAEMAGGLUTININ HA1
B: HAEMAGGLUTININ HA2
C: HAEMAGGLUTININ HA1
D: HAEMAGGLUTININ HA2
E: HAEMAGGLUTININ HA1
F: HAEMAGGLUTININ HA2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)172,90023
Polymers168,4106
Non-polymers4,49017
Water13,673759
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area33360 Å2
ΔGint-138.6 kcal/mol
Surface area59420 Å2
MethodPISA
Unit cell
Length a, b, c (Å)87.824, 117.104, 101.275
Angle α, β, γ (deg.)90.00, 92.58, 90.00
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21C
12A
22E
13C
23E
14B
24D
15B
25F
16D
26F

NCS domain segments:

Component-ID: 1 / Refine code: 6

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ASPASPSERSERAA1 - 3193 - 321
21ASPASPSERSERCC1 - 3193 - 321
12ASPASPPROPROAA-1 - 3201 - 322
22ASPASPPROPROEE-1 - 3201 - 322
13ASPASPSERSERCC1 - 3193 - 321
23ASPASPSERSEREE1 - 3193 - 321
14GLYGLYSERSERBB1 - 1631 - 163
24GLYGLYSERSERDD1 - 1631 - 163
15GLYGLYSERSERBB1 - 1631 - 163
25GLYGLYSERSERFF1 - 1631 - 163
16GLYGLYSERSERDD1 - 1631 - 163
26GLYGLYSERSERFF1 - 1631 - 163

NCS ensembles :
ID
1
2
3
4
5
6

NCS oper:
IDCodeMatrixVector
1given(1), (1), (1)
2given(0.060531, -0.688437, 0.722766), (0.672498, -0.50696, -0.539202), (0.73762, 0.518697, 0.432285)14.42784, -34.81182, -11.39155
3given(1), (1), (1)
4given(0.061151, 0.679079, 0.731514), (-0.694529, -0.497413, 0.519818), (0.716862, -0.539845, 0.441222)31.20719, -1.47556, -23.97836
5given(1), (1), (1)
6given(0.065515, -0.69162, 0.719284), (0.681462, -0.495546, -0.538557), (0.728915, 0.525448, 0.438847)14.14377, -34.9505, -11.29386
7given(1), (1), (1)
8given(0.053624, -0.689651, 0.722154), (0.679106, -0.505011, -0.532709), (0.732079, 0.518985, 0.441265)14.46511, -35.05186, -11.42554
9given(1), (1), (1)
10given(0.062468, 0.683925, 0.726873), (-0.697632, -0.4909, 0.521849), (0.713728, -0.539689, 0.446462)31.15927, -1.41531, -24.0191
11given(1), (1), (1)
12given(0.051861, -0.691548, 0.720467), (0.679717, -0.504099, -0.532793), (0.731638, 0.517345, 0.443914)14.54265, -35.03026, -11.40481

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Components

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HAEMAGGLUTININ ... , 2 types, 6 molecules ACEBDF

#1: Protein HAEMAGGLUTININ HA1


Mass: 37010.672 Da / Num. of mol.: 3
Fragment: HA1 OF TRYPSIN RELEASED ECTODOMAIN, RESIDUES 17-342
Mutation: YES
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) INFLUENZA A VIRUS (A/TURKEY/TURKEY/1/2005(H5N1))
Variant: DEL133/ILE155THR MUTANT / Plasmid: PACGP67A / Cell line (production host): SF9 / Production host: SPODOPTERA FRUGIPERDA (fall armyworm) / References: UniProt: Q207Z6
#2: Protein HAEMAGGLUTININ HA2


Mass: 19126.004 Da / Num. of mol.: 3
Fragment: HA2 OF TRYPSIN RELEASED ECTODOMAIN, RESIDUES 347-512
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) INFLUENZA A VIRUS (A/TURKEY/TURKEY/1/2005(H5N1))
Variant: DEL133/ILE155THR MUTANT / Plasmid: PACGP67A / Cell line (production host): SF9 / Production host: SPODOPTERA FRUGIPERDA (fall armyworm) / References: UniProt: Q207Z6

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Sugars , 2 types, 12 molecules

#3: Polysaccharide N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose / 6'-sialyl-N-acetyllactosamine


Type: oligosaccharide, Oligosaccharide / Class: Glycan component / Mass: 674.604 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Details: oligosaccharide / References: 6'-sialyl-N-acetyllactosamine
DescriptorTypeProgram
DNeup5Aca2-6DGalpb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b6-c2WURCSPDB2Glycan 1.1.0
[][b-D-GlcpNAc]{[(4+1)][b-D-Galp]{[(6+2)][a-D-Neup5Ac]{}}}LINUCSPDB-CARE
#4: Sugar
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 9
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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Non-polymers , 2 types, 764 molecules

#5: Chemical
ChemComp-PO4 / PHOSPHATE ION / Phosphate


Mass: 94.971 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: PO4
#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 759 / Source method: isolated from a natural source / Formula: H2O

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Details

Sequence detailsMULTIBASIC SITE REMOVED

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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: 2.25 Å3/Da / Density % sol: 45 % / Description: NONE
Crystal growDetails: BIS-TRIS PROPANE PH 7.5, 0.05 - 0.15 M K/NAPO4 (PH 7.0), 15-18% PEG 3350

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.98
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.98 Å / Relative weight: 1
ReflectionResolution: 2.3→87.73 Å / Num. obs: 90479 / % possible obs: 99.6 % / Observed criterion σ(I): 2 / Redundancy: 3.4 % / Rmerge(I) obs: 0.09 / Net I/σ(I): 9.9
Reflection shellResolution: 2.3→2.42 Å / Redundancy: 3.5 % / Rmerge(I) obs: 0.65 / Mean I/σ(I) obs: 2 / % possible all: 100

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Processing

Software
NameVersionClassification
REFMAC5.8.0046refinement
xia2data reduction
SCALAdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4BGZ

4bgz


Resolution: 2.3→101.17 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.938 / SU B: 15.315 / SU ML: 0.184 / Cross valid method: THROUGHOUT / ESU R: 0.259 / ESU R Free: 0.203 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. WITH TLS ADDED HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.22612 4539 5 %RANDOM
Rwork0.18569 ---
obs0.1877 85916 99.54 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 51.219 Å2
Baniso -1Baniso -2Baniso -3
1-2.46 Å20 Å2-2.06 Å2
2---1.2 Å20 Å2
3----1.07 Å2
Refinement stepCycle: LAST / Resolution: 2.3→101.17 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11562 0 289 759 12610
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0070.01912144
X-RAY DIFFRACTIONr_bond_other_d0.0010.0211100
X-RAY DIFFRACTIONr_angle_refined_deg1.2381.96316496
X-RAY DIFFRACTIONr_angle_other_deg0.6883.00325503
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.96851447
X-RAY DIFFRACTIONr_dihedral_angle_2_deg37.3325.099606
X-RAY DIFFRACTIONr_dihedral_angle_3_deg14.247152000
X-RAY DIFFRACTIONr_dihedral_angle_4_deg13.5941556
X-RAY DIFFRACTIONr_chiral_restr0.0620.21792
X-RAY DIFFRACTIONr_gen_planes_refined0.0040.02113816
X-RAY DIFFRACTIONr_gen_planes_other0.0010.022838
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.7782.2615806
X-RAY DIFFRACTIONr_mcbond_other0.7782.2615805
X-RAY DIFFRACTIONr_mcangle_it1.353.3877247
X-RAY DIFFRACTIONr_mcangle_other
X-RAY DIFFRACTIONr_scbond_it1.3612.5476338
X-RAY DIFFRACTIONr_scbond_other
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_scangle_other
X-RAY DIFFRACTIONr_long_range_B_refined
X-RAY DIFFRACTIONr_long_range_B_other
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Dom-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Ens-IDAuth asym-IDNumberTypeRms dev position (Å)Weight position
1A4954loose positional0.345
2A4992loose positional0.375
3C4953loose positional0.345
4B2485loose positional0.415
5B2491loose positional0.415
6D2461loose positional0.415
1A4954loose thermal3.1510
2A4992loose thermal3.0210
3C4953loose thermal2.2110
4B2485loose thermal3.6310
5B2491loose thermal3.7810
6D2461loose thermal3.0410
LS refinement shellResolution: 2.3→2.36 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.343 350 -
Rwork0.322 6341 -
obs--99.99 %
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)
12.0635-0.09222.15460.72150.42983.61620.2480.1782-0.0243-0.1052-0.00010.06260.39690.2388-0.24780.2948-0.0143-0.05050.1234-0.03180.080225.6423-26.6172-18.6289
21.810.320.8681.92290.71312.84660.14270.3262-0.12240.24510.0011-0.3350.22730.3517-0.14380.18380.0509-0.04030.1659-0.05950.172569.427-20.188526.3782
38.381.70074.7810.41011.0652.9917-0.0940.58330.0912-0.10190.0660.0418-0.08320.49450.0280.37920.11930.02040.4051-0.0820.064751.7668-22.57091.9406
45.3530.09378.17212.09591.257314.61150.1295-0.4736-0.22470.00970.13720.07180.0519-0.5358-0.26660.13470.03120.02240.1863-0.0120.131727.8476-25.7033-11.3804
53.0387-1.5365-1.58913.05192.55287.92810.01690.3596-0.0447-0.0268-0.0678-0.05740.4078-0.30540.05090.2718-0.0417-0.07060.102-0.00130.030118.1317-22.4732-32.8769
65.0040.48157.67894.39153.291624.3115-0.36850.19750.441-0.0056-0.0709-0.1511-0.27960.4660.43940.1533-0.02130.01890.12620.03450.197430.1982-12.3603-18.685
74.94040.09551.20661.0497-0.284212.78380.21390.3103-0.35160.08180.12840.0641-0.08120.4649-0.34230.20240.01710.02030.0583-0.04460.088943.6061-18.451318.1959
81.77750.06153.19050.5135-0.08748.2554-0.198-0.00480.3219-0.1395-0.09810.0915-0.1715-0.37880.29610.27120.0199-0.07040.15880.02450.096517.222-15.2697-25.7195
91.1424-0.39051.46840.4416-0.86552.978-0.0121-0.1106-0.02510.13780.12540.16030.0547-0.52-0.11330.3226-0.03940.07410.22470.05710.133118.8359-21.35126.5843
101.7020.1380.50942.57380.53011.82950.1928-0.0744-0.0020.1723-0.0504-0.3682-0.0746-0.0426-0.14240.4481-0.0515-0.01350.04560.04330.091946.0031-26.230550.8974
112.5674-1.17731.92472.1997-2.163.68990.1370.0319-0.2920.13930.11190.20190.1409-0.3338-0.24890.3479-0.04520.09350.28510.0810.124119.4851-24.504926.9431
125.11670.21626.17031.1942-1.04249.3254-0.0422-0.00440.1874-0.22190.09510.09270.2176-0.2286-0.05290.2596-0.04230.10050.42320.12710.241310.3264-16.31367.8227
136.7013-0.84592.27692.0325-0.97227.11630.4747-0.2834-0.0978-0.33770.07910.67710.9198-2.3528-0.55380.3172-0.309-0.16750.92710.16080.3371-6.2892-18.9518-13.2333
1417.25580.846511.24552.958-0.996111.36680.549-0.6841-0.7104-0.110.03010.17251.4954-0.5526-0.5790.5093-0.12110.00740.22950.06960.2388.8466-25.7805-4.188
157.17491.38067.49320.77491.13298.1486-0.08580.0006-0.03950.08290.12650.1347-0.0762-0.2251-0.04060.2591-0.02470.05720.26120.00930.183321.0153-14.04286.949
161.12422.07562.4417.49932.11299.17630.46990.0279-0.3098-1.0250.81630.85191.6847-1.9315-1.28621.2744-0.5203-0.8231.53710.14710.758-9.0142-24.0465-28.5894
171.34260.71062.29420.76751.04724.3963-0.19330.07740.1928-0.08150.0550.0936-0.34520.05080.13840.34770.0069-0.03470.03540.04610.119533.326111.09477.6506
180.7017-0.33760.46770.6353-0.19561.037-0.07810.0242-0.01810.1774-0.02760.01980.0396-0.03970.10580.38310.0131-0.020.0393-0.04050.073346.70758.03537.0165
191.6159-0.26410.22161.2838-0.20082.1858-0.0885-0.1084-0.04010.2956-0.0267-0.12450.11060.09520.11520.43130.0222-0.0570.0176-0.00230.083553.89355.706144.6694
201.87580.75062.78941.10371.35436.5331-0.05550.02220.0596-0.1220.05470.0422-0.1465-0.01940.00080.2812-0.0419-0.01480.0270.03310.048831.40528.7015.1937
214.84790.59313.84592.5221-0.07887.2493-0.496-0.03220.7873-0.26850.05550.4887-0.9859-0.55850.44050.37440.0442-0.12330.10630.07760.29618.68414.8307-17.0061
2210.1909-2.94858.55463.6574-1.5028.3236-0.44390.00380.0667-0.03550.26550.0716-0.61370.22650.17840.3108-0.03190.03430.09840.01310.120340.9709-5.997717.3838
236.414-0.76316.24161.0714-0.69298.12570.196-0.0268-0.0806-0.2774-0.01430.2550.2376-0.3587-0.18170.2787-0.0499-0.06940.13380.06740.165414.3861-4.5905-13.3047
246.5512-2.65782.50059.6016.70678.6706-0.9888-0.04480.7111-1.1361-0.74252.2989-1.3203-1.39051.73130.96940.1873-1.08531.46680.54481.8205-8.29073.8792-29.3697
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A-1 - 39
2X-RAY DIFFRACTION2A40 - 254
3X-RAY DIFFRACTION3A255 - 304
4X-RAY DIFFRACTION4A305 - 320
5X-RAY DIFFRACTION5B1 - 37
6X-RAY DIFFRACTION6B38 - 59
7X-RAY DIFFRACTION7B60 - 82
8X-RAY DIFFRACTION8B83 - 166
9X-RAY DIFFRACTION9C-1 - 103
10X-RAY DIFFRACTION10C104 - 256
11X-RAY DIFFRACTION11C257 - 299
12X-RAY DIFFRACTION12C300 - 320
13X-RAY DIFFRACTION13D1 - 31
14X-RAY DIFFRACTION14D32 - 61
15X-RAY DIFFRACTION15D62 - 124
16X-RAY DIFFRACTION16D125 - 166
17X-RAY DIFFRACTION17E-1 - 84
18X-RAY DIFFRACTION18E85 - 122
19X-RAY DIFFRACTION19E123 - 266
20X-RAY DIFFRACTION20E267 - 320
21X-RAY DIFFRACTION21F1 - 57
22X-RAY DIFFRACTION22F58 - 83
23X-RAY DIFFRACTION23F84 - 136
24X-RAY DIFFRACTION24F137 - 166

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