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- PDB-6x5u: Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and NM5M2-Asn -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 6x5u
TitleHuman Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and NM5M2-Asn
ComponentsAlpha-(1,6)-fucosyltransferase
KeywordsTRANSFERASE / Glycosyl transferase / Fucosyl transferase / GT-B fold / Inverting
Function / homology
Function and homology information


glycoprotein 6-alpha-L-fucosyltransferase / glycoprotein 6-alpha-L-fucosyltransferase activity / receptor metabolic process / GDP-L-fucose metabolic process / alpha-(1->6)-fucosyltransferase activity / N-glycan fucosylation / Reactions specific to the complex N-glycan synthesis pathway / L-fucose catabolic process / oligosaccharide biosynthetic process / regulation of cellular response to oxidative stress ...glycoprotein 6-alpha-L-fucosyltransferase / glycoprotein 6-alpha-L-fucosyltransferase activity / receptor metabolic process / GDP-L-fucose metabolic process / alpha-(1->6)-fucosyltransferase activity / N-glycan fucosylation / Reactions specific to the complex N-glycan synthesis pathway / L-fucose catabolic process / oligosaccharide biosynthetic process / regulation of cellular response to oxidative stress / N-glycan processing / respiratory gaseous exchange by respiratory system / protein N-linked glycosylation via asparagine / fibroblast migration / protein N-linked glycosylation / Golgi cisterna membrane / transforming growth factor beta receptor signaling pathway / integrin-mediated signaling pathway / SH3 domain binding / regulation of gene expression / Maturation of spike protein / in utero embryonic development / viral protein processing / Golgi membrane / Golgi apparatus / extracellular exosome / membrane
Similarity search - Function
Alpha-(1,6)-fucosyltransferase / Alpha-(1,6)-fucosyltransferase, SH3 domain / Alpha-(1,6)-fucosyltransferase, N- and catalytic domain / Alpha-(1,6)-fucosyltransferase N- and catalytic domains / Glycosyltransferase family 23 (GT23) domain / Glycosyltransferase family 23 (GT23) domain profile. / Variant SH3 domain / Src homology 3 domains / SH3-like domain superfamily / Src homology 3 (SH3) domain profile. / SH3 domain
Similarity search - Domain/homology
ASPARAGINE / GUANOSINE-5'-DIPHOSPHATE / Alpha-(1,6)-fucosyltransferase
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.2 Å
AuthorsKadirvelraj, R. / Wood, Z.A.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute on Alcohol Abuse and Alcoholism (NIH/NIAAA)R01GM130915, P41GM103390 and P01GM107012 United States
CitationJournal: J.Biol.Chem. / Year: 2020
Title: Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases.
Authors: Boruah, B.M. / Kadirvelraj, R. / Liu, L. / Ramiah, A. / Li, C. / Zong, G. / Bosman, G.P. / Yang, J.Y. / Wang, L.X. / Boons, G.J. / Wood, Z.A. / Moremen, K.W.
History
DepositionMay 26, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 7, 2020Provider: repository / Type: Initial release
Revision 1.1Oct 21, 2020Group: Database references / Category: citation / citation_author
Item: _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Dec 23, 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 1.3Oct 18, 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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Alpha-(1,6)-fucosyltransferase
B: Alpha-(1,6)-fucosyltransferase
C: Alpha-(1,6)-fucosyltransferase
D: Alpha-(1,6)-fucosyltransferase
E: Alpha-(1,6)-fucosyltransferase
F: Alpha-(1,6)-fucosyltransferase
G: Alpha-(1,6)-fucosyltransferase
H: Alpha-(1,6)-fucosyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)506,34726
Polymers494,7628
Non-polymers11,58518
Water4,702261
1
A: Alpha-(1,6)-fucosyltransferase
B: Alpha-(1,6)-fucosyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)126,7347
Polymers123,6902
Non-polymers3,0435
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
C: Alpha-(1,6)-fucosyltransferase
D: Alpha-(1,6)-fucosyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)126,7347
Polymers123,6902
Non-polymers3,0435
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
3
G: Alpha-(1,6)-fucosyltransferase
hetero molecules

E: Alpha-(1,6)-fucosyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)126,2776
Polymers123,6902
Non-polymers2,5874
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation1_445x-1,y-1,z1
MethodPISA
4
H: Alpha-(1,6)-fucosyltransferase
hetero molecules

F: Alpha-(1,6)-fucosyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)126,6026
Polymers123,6902
Non-polymers2,9114
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation6_654x-y+1,x,z-1/61
MethodPISA
Unit cell
Length a, b, c (Å)154.020, 154.020, 466.920
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number170
Space group name H-MP65

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Components

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Protein , 1 types, 8 molecules ABCDEFGH

#1: Protein
Alpha-(1,6)-fucosyltransferase / Alpha1-6FucT / Fucosyltransferase 8 / GDP-L-Fuc:N-acetyl-beta-D-glucosaminide alpha1 / 6- ...Alpha1-6FucT / Fucosyltransferase 8 / GDP-L-Fuc:N-acetyl-beta-D-glucosaminide alpha1 / 6-fucosyltransferase / GDP-fucose--glycoprotein fucosyltransferase / Glycoprotein 6-alpha-L-fucosyltransferase


Mass: 61845.219 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: FUT8 / Cell (production host): HEK293 / Production host: Homo sapiens (human)
References: UniProt: Q9BYC5, glycoprotein 6-alpha-L-fucosyltransferase

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Sugars , 4 types, 8 molecules

#2: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose- ...2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1114.016 Da / Num. of mol.: 3 / Source method: isolated from a natural source
DescriptorTypeProgram
DGlcpNAcb1-2DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,6,5/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-1-3/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][b-D-GlcpNAc]{}}[(6+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#3: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose- ...2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 910.823 Da / Num. of mol.: 3 / Source method: isolated from a natural source
DescriptorTypeProgram
DGlcpNAcb1-2DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-1-3/a4-b1_b3-c1_b6-e1_c2-d1WURCSPDB2Glycan 1.1.0
[][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][b-D-GlcpNAc]{}}[(6+1)][a-D-Manp]{}}}LINUCSPDB-CARE
#4: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1- ...2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 1 / Source method: isolated from a natural source
DescriptorTypeProgram
DGlcpNAcb1-2DManpa1-3DManpb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-1/a4-b1_b3-c1_c2-d1WURCSPDB2Glycan 1.1.0
[][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][b-D-GlcpNAc]{}}}}LINUCSPDB-CARE
#5: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1- ...2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 951.875 Da / Num. of mol.: 1 / Source method: isolated from a natural source
DescriptorTypeProgram
DGlcpNAcb1-2DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-1/a4-b1_b4-c1_c3-d1_d2-e1WURCSPDB2Glycan 1.1.0
[][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][b-D-GlcpNAc]{}}}}}LINUCSPDB-CARE

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Non-polymers , 3 types, 271 molecules

#6: Chemical
ChemComp-GDP / GUANOSINE-5'-DIPHOSPHATE


Type: RNA linking / Mass: 443.201 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C10H15N5O11P2 / Feature type: SUBJECT OF INVESTIGATION / Comment: GDP, energy-carrying molecule*YM
#7: Chemical ChemComp-ASN / ASPARAGINE


Type: L-peptide linking / Mass: 132.118 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Formula: C4H8N2O3 / Feature type: SUBJECT OF INVESTIGATION
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 261 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
Nonpolymer detailsNM5M2-Asn was purified as a glycosylated peptide, and proteolyzed to the asparagine-linked oligosaccharide
Source detailsNM5M2-Asn was purified from egg yolk powder

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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: 3.3 Å3/Da / Density % sol: 63 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / Details: 10% PEG 3350, 0.2 M Ammonium chloride / Temp details: Room temperature

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Mar 1, 2020
RadiationMonochromator: Si (111) Rosenbaum-Rock double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.2→87.842 Å / Num. obs: 102079 / % possible obs: 99.3 % / Redundancy: 3.6 % / Biso Wilson estimate: 64.1 Å2 / CC1/2: 0.985 / Rrim(I) all: 0.259 / Net I/σ(I): 5.7
Reflection shellResolution: 3.2→3.28 Å / Redundancy: 3.7 % / Mean I/σ(I) obs: 1.2 / Num. unique obs: 7647 / CC1/2: 0.509 / Rrim(I) all: 1.4 / % possible all: 99.9

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Processing

Software
NameVersionClassification
PHENIX1.13_2998refinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6X5H

6x5h


Resolution: 3.2→87.84 Å / Cross valid method: FREE R-VALUE / σ(F): 1.81 / Phase error: 30.28 / Stereochemistry target values: TWIN_LSQ_F
RfactorNum. reflection% reflection
Rfree0.2359 5072 4.97 %
Rwork0.1902 --
obs0.1943 102078 99.37 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.2→87.84 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms30408 0 768 264 31440
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00232067
X-RAY DIFFRACTIONf_angle_d0.5543609
X-RAY DIFFRACTIONf_dihedral_angle_d19.21919169
X-RAY DIFFRACTIONf_chiral_restr0.0394731
X-RAY DIFFRACTIONf_plane_restr0.0035504
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.2001-3.25530.3472480.27354900X-RAY DIFFRACTION95
3.2553-3.31450.29662360.26264867X-RAY DIFFRACTION95
3.3145-3.37830.33422510.2464856X-RAY DIFFRACTION95
3.3783-3.44720.30172600.24224867X-RAY DIFFRACTION95
3.4472-3.52220.27812430.23884873X-RAY DIFFRACTION95
3.5222-3.60410.30242550.22344895X-RAY DIFFRACTION95
3.6041-3.69430.26892690.20724806X-RAY DIFFRACTION94
3.6943-3.79420.26312560.20734843X-RAY DIFFRACTION94
3.7942-3.90580.21832420.20354862X-RAY DIFFRACTION95
3.9058-4.03190.24342440.18424878X-RAY DIFFRACTION95
4.0319-4.1760.20742660.18044833X-RAY DIFFRACTION94
4.176-4.34320.18942450.17364761X-RAY DIFFRACTION93
4.3432-4.54080.19112480.16144892X-RAY DIFFRACTION95
4.5408-4.78020.1952700.15174849X-RAY DIFFRACTION95
4.7802-5.07970.212540.16364860X-RAY DIFFRACTION95
5.0797-5.47180.2252560.16814850X-RAY DIFFRACTION95
5.4718-6.02240.23332580.17474846X-RAY DIFFRACTION94
6.0224-6.89350.21322500.17814874X-RAY DIFFRACTION95
6.8935-8.68390.18652470.15684774X-RAY DIFFRACTION93
8.6839-87.840.25722520.20694834X-RAY DIFFRACTION93
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)
10.40530.0784-0.0510.3640.34590.9842-0.11880.137-0.0316-0.05810.01140.03120.1956-0.19040.00940.73130.06230.03890.7776-0.03690.192120.781287.2394-2.5338
20.721-0.6859-0.5520.69550.51840.41870.0016-0.1387-0.06740.0324-0.0656-0.07450.21210.1185-0.00120.5587-0.040.0130.6631-0.01450.175329.842189.078724.9949
31.453-1.2477-0.06862.81030.02011.34820.08450.4049-0.2327-0.3203-0.40950.3150.14480.02840.17080.5841-0.1079-0.01420.5718-0.03640.1962-57.075932.7421-9.6682
41.40580.69580.89160.90870.39610.6526-0.16510.2017-0.3379-0.03890.02010.00650.0797-0.13220.0730.780.03140.06860.6402-0.09760.1646-42.473837.46860.4617
51.36060.167-0.08670.58780.07170.7988-0.01260.0890.18220.05130.0062-0.1633-0.05540.07710.0140.6119-0.0397-0.01790.6625-0.03610.2339-23.331553.00498.2493
60.57990.06810.27540.42470.20620.9364-0.1005-0.13220.1281-0.06260.0070.0666-0.1401-0.01340.04520.6849-0.007-0.00540.7038-0.06030.1797-38.766551.26214.8591
70.94150.13120.37320.81870.04880.77690.1176-0.1217-0.11620.1629-0.2197-0.0530.05550.0350.040.591-0.06790.10440.6534-0.01790.20975.97865.1993-45.3044
82.9735-1.8873-1.08981.91221.06281.1062-0.23580.01910.59180.0670.3804-0.3328-0.44970.2067-0.11210.8629-0.07950.12230.45170.01790.303558.151197.0625-40.3575
91.0255-0.17860.05420.06060.18011.2070.39150.14570.01380.0397-0.58860.2416-0.37-0.06260.01070.73150.04680.14040.86460.01450.395935.809192.6018-34.0744
100.3864-0.1354-0.48650.53880.72681.94150.21610.15360.2246-0.114-0.13120.1467-0.4909-0.5114-0.11680.77810.14080.16970.8490.02410.276640.495992.1744-33.7072
111.2775-0.1909-0.73271.7514-0.43271.62620.0497-0.3879-0.1658-0.1772-0.32520.14360.2137-0.08710.08310.6908-0.10560.26480.7606-0.06940.41352.445370.9313-25.141
120.3715-0.1541-0.07340.3910.30870.7636-0.0711-0.03-0.10660.1625-0.02770.0750.1880.07670.07590.78060.00830.09840.636-0.08230.208557.863673.6532-20.9125
130.3664-0.556-0.20221.06370.17991.0531-0.01010.2665-0.0546-0.1237-0.02110.08020.1291-0.4802-0.00340.66730.04080.09140.7853-0.00760.21752.547178.296-35.6179
140.3721-0.09380.2760.3207-0.19910.34680.05540.5303-0.1922-0.2967-0.22340.10210.1623-0.2921-0.02040.6444-0.10390.08930.7493-0.12680.247250.904965.851-54.2658
151.0513-0.6855-0.12860.7423-0.00870.04360.14950.5223-0.1236-0.1009-0.3660.1924-0.211-0.29480.06130.89230.1350.09950.92760.03180.290748.943482.8463-50.5789
160.91220.41-0.76171.089-0.48361.022-0.04630.1921-0.0383-0.01330.03320.1054-0.0578-0.14210.02250.6136-0.0204-0.08640.5290.05150.1416-30.716799.08884.9075
170.2401-0.4801-0.03940.95820.07760.00710.2262-0.0413-0.1413-0.2257-0.24480.23160.1828-0.2368-0.15170.5955-0.0925-0.06020.82150.23860.4546-53.265681.462215.7186
181.43560.3297-0.43860.8786-0.38151.3222-0.04830.0664-0.00520.1014-0.01180.0265-0.00020.10280.04950.5333-0.0345-0.00890.49540.04880.1829-28.489794.079712.4485
190.64960.0569-0.19570.2609-0.05480.8587-0.028-0.1098-0.0109-0.24860.0880.02830.1321-0.0035-0.05530.6428-0.04-0.02680.58290.0680.2141-28.152890.37913.7487
201.836-0.38590.08161.3951-0.10810.5-0.1948-0.1013-0.1152-0.11910.1777-0.00720.3261-0.12140.00850.7429-0.1166-0.03590.58170.1120.2423-19.0045101.8765-12.3758
210.5482-0.15870.22261.20470.2560.3544-0.05720.05540.3465-0.0792-0.03240.1339-0.2928-0.04670.08770.5582-0.0136-0.04010.54430.07930.2734-21.9468146.6228-21.3655
221.2137-0.0033-0.62911.60840.01720.6024-0.0043-0.13510.1689-0.0703-0.0569-0.1519-0.20920.03740.01480.6613-0.1904-0.01020.5939-0.02070.3137-10.7254154.135-13.669
231.2569-0.13830.36211.4805-0.37271.17110.0440.10340.11090.0025-0.0805-0.03430.1616-0.07740.05280.6583-0.0244-0.0370.53980.04230.1635-20.3859126.9497-27.4911
240.2415-0.10.18420.8147-0.34350.92240.0565-0.03860.00340.0749-0.02090.01240.00160.0727-0.0360.5712-0.0555-0.03470.61230.05860.1527-11.9251127.1112-19.9475
251.27270.7223-0.09092.8226-0.49461.5361-0.26570.45160.17820.02370.50750.1050.0346-0.28160.13720.4427-0.0386-0.01710.73-0.00960.1776-12.616165.9888-51.6822
261.5255-0.08790.57270.3-0.26160.6426-0.1106-0.0744-0.1599-0.03170.13330.00370.054-0.2345-0.00110.7269-0.0543-0.03480.6393-0.08590.1972-1.027658.5929-37.2711
271.08510.0002-0.45690.351-0.58171.15430.0795-0.0352-0.1869-0.2481-0.1426-0.10470.0450.22530.03810.45970.0437-0.06880.74970.01870.340929.286850.0282-26.5067
280.2850.2731-0.0541.0120.58340.72950.08620.0265-0.0872-0.12670.0418-0.24590.29550.3278-0.04320.6140.1786-0.07330.7704-0.10550.280330.28551.0759-18.6092
291.7249-0.7588-0.05130.46390.39371.11440.00980.2078-0.35820.4035-0.1083-0.25120.19410.86720.01520.69060.0588-0.01780.7184-0.16510.490838.395946.2086-33.366
302.0269-0.10880.03531.8564-0.34841.90830.08230.4922-0.2651-0.41960.1460.02510.09650.1509-0.04180.80570.0224-0.08140.6803-0.08580.28718.596447.4364-40.1381
310.7564-0.32350.50990.89710.32291.2523-0.0373-0.10250.07990.0324-0.0260.082-0.2899-0.07620.10560.6447-0.0308-0.08950.65530.01690.1858.393966.2437-25.1911
321.42820.3430.26740.21430.15980.3567-0.04270.06880.16650.01240.0743-0.0289-0.21490.14080.12850.7075-0.0418-0.05570.6371-0.03260.167112.961373.4918-19.117
330.2993-0.09250.22520.208-0.27740.5879-0.10390.239-0.0895-0.16540.0577-0.07730.05360.1439-0.02660.6229-0.0534-0.00520.7917-0.09840.211313.955160.495-44.9438
340.4459-0.86390.20121.7904-0.54731.0306-0.11380.1290.07310.34120.0623-0.3127-0.08070.16690.14110.52550.0187-0.07170.7179-0.06650.1950.459164.4325-47.7214
351.5721-0.4102-0.02240.1120.04450.3029-0.04660.1983-0.3483-0.02110.1084-0.37880.07680.3631-0.0290.6807-0.0246-0.0320.7171-0.02050.176-12.353954.9224-56.764
361.1365-0.57060.03230.5027-0.15111.62580.18490.1103-0.2005-0.1475-0.00890.25770.07930.3286-0.08790.56040.0098-0.0380.6268-0.10870.3188-44.372543.6843-65.9587
371.66230.0012-0.18870.5966-0.08240.8383-0.026-0.1462-0.27260.03850.0280.0640.05240.0803-0.02660.5723-0.0466-0.02410.5481-0.00980.1906-35.53449.2973-62.6301
380.97050.43030.64680.3591-0.2111.90620.21120.10990.094-0.151-0.0935-0.03040.01330.3479-0.01880.6059-0.08790.03920.834-0.10070.2411-12.143559.8772-71.1591
391.05941.044-0.08631.1405-0.35740.66370.17430.3301-0.0084-0.1297-0.008-0.0432-0.08740.0003-0.05290.6461-0.02520.0270.7302-0.06410.2262-25.405157.7804-81.0165
400.09560.02430.22040.36130.02740.5105-0.0442-0.06830.01990.05870.0072-0.0021-0.02370.0450.09950.6259-0.0283-0.00880.6921-0.08810.1669-25.913656.5386-62.1453
410.40060.1656-0.08570.6901-0.35370.6447-0.0095-0.30840.12470.0829-0.0193-0.0296-0.35490.0446-0.01150.7194-0.0350.0030.6692-0.04330.2238-25.683371.7459-45.1207
420.63320.56630.38791.4947-0.04790.3916-0.07640.21450.19660.69170.16790.0820.26820.03010.09480.60780.02120.02340.7056-0.01160.2781-30.395554.8539-46.5829
430.830.49910.19790.35550.3430.89690.08360.0390.0898-0.0566-0.1628-0.0832-0.09370.06060.09990.662-0.072-0.00720.67610.00580.129226.5516168.3032-14.2365
440.83280.29790.11661.1529-0.1931.2189-0.0938-0.0904-0.22740.0182-0.0786-0.04020.4072-0.04450.07850.798-0.09640.13860.6304-0.11710.266817.3086135.8834-29.3295
450.6143-0.0452-0.07890.38450.49110.9535-0.10250.0493-0.0694-0.04330.00890.00980.0729-0.04270.03750.5919-0.07140.04490.5617-0.04550.183212.9341157.8896-22.989
460.7181-0.3762-0.54030.87230.19531.2253-0.01080.0418-0.0519-0.116-0.0391-0.0582-0.03450.04330.04050.522-0.00180.02050.5891-0.05140.167533.401795.206314.7154
471.2841-0.89090.37041.02670.16130.8934-0.1355-0.2397-0.19170.3260.1449-0.1950.26510.27960.03980.62750.04330.09850.60680.07310.349349.306880.234118.4773
480.7055-0.2451-0.1060.0946-0.00680.2209-0.05450.1515-0.0248-0.374-0.074-0.13930.05050.04510.02070.605-0.01020.10680.6272-0.06480.202530.741790.44873.7897
490.32080.015-0.01160.44450.72181.17880.012-0.07390.0632-0.3687-0.0561-0.0133-0.0804-0.2897-0.00360.66530.0680.05510.6638-0.0670.201816.416199.22397.6992
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'F' and (resid 411 through 459 )
2X-RAY DIFFRACTION2chain 'F' and (resid 460 through 574 )
3X-RAY DIFFRACTION3chain 'G' and (resid 108 through 139 )
4X-RAY DIFFRACTION4chain 'G' and (resid 140 through 199 )
5X-RAY DIFFRACTION5chain 'G' and (resid 200 through 395 )
6X-RAY DIFFRACTION6chain 'G' and (resid 396 through 574 )
7X-RAY DIFFRACTION7chain 'H' and (resid 108 through 170 )
8X-RAY DIFFRACTION8chain 'H' and (resid 171 through 199 )
9X-RAY DIFFRACTION9chain 'H' and (resid 200 through 237 )
10X-RAY DIFFRACTION10chain 'H' and (resid 238 through 353 )
11X-RAY DIFFRACTION11chain 'H' and (resid 354 through 378 )
12X-RAY DIFFRACTION12chain 'H' and (resid 379 through 459 )
13X-RAY DIFFRACTION13chain 'H' and (resid 460 through 505 )
14X-RAY DIFFRACTION14chain 'H' and (resid 506 through 548 )
15X-RAY DIFFRACTION15chain 'H' and (resid 549 through 574 )
16X-RAY DIFFRACTION16chain 'A' and (resid 108 through 254 )
17X-RAY DIFFRACTION17chain 'A' and (resid 255 through 296 )
18X-RAY DIFFRACTION18chain 'A' and (resid 297 through 410 )
19X-RAY DIFFRACTION19chain 'A' and (resid 411 through 574 )
20X-RAY DIFFRACTION20chain 'B' and (resid 108 through 171 )
21X-RAY DIFFRACTION21chain 'B' and (resid 172 through 267 )
22X-RAY DIFFRACTION22chain 'B' and (resid 268 through 309 )
23X-RAY DIFFRACTION23chain 'B' and (resid 310 through 410 )
24X-RAY DIFFRACTION24chain 'B' and (resid 411 through 574 )
25X-RAY DIFFRACTION25chain 'C' and (resid 108 through 141 )
26X-RAY DIFFRACTION26chain 'C' and (resid 142 through 199 )
27X-RAY DIFFRACTION27chain 'C' and (resid 200 through 237 )
28X-RAY DIFFRACTION28chain 'C' and (resid 238 through 272 )
29X-RAY DIFFRACTION29chain 'C' and (resid 273 through 296 )
30X-RAY DIFFRACTION30chain 'C' and (resid 297 through 322 )
31X-RAY DIFFRACTION31chain 'C' and (resid 323 through 410 )
32X-RAY DIFFRACTION32chain 'C' and (resid 411 through 459 )
33X-RAY DIFFRACTION33chain 'C' and (resid 460 through 574 )
34X-RAY DIFFRACTION34chain 'D' and (resid 108 through 139 )
35X-RAY DIFFRACTION35chain 'D' and (resid 140 through 199 )
36X-RAY DIFFRACTION36chain 'D' and (resid 200 through 267 )
37X-RAY DIFFRACTION37chain 'D' and (resid 268 through 378 )
38X-RAY DIFFRACTION38chain 'D' and (resid 379 through 410 )
39X-RAY DIFFRACTION39chain 'D' and (resid 411 through 458 )
40X-RAY DIFFRACTION40chain 'D' and (resid 459 through 505 )
41X-RAY DIFFRACTION41chain 'D' and (resid 506 through 548 )
42X-RAY DIFFRACTION42chain 'D' and (resid 549 through 574 )
43X-RAY DIFFRACTION43chain 'E' and (resid 108 through 199 )
44X-RAY DIFFRACTION44chain 'E' and (resid 200 through 353 )
45X-RAY DIFFRACTION45chain 'E' and (resid 354 through 574 )
46X-RAY DIFFRACTION46chain 'F' and (resid 108 through 272 )
47X-RAY DIFFRACTION47chain 'F' and (resid 273 through 319 )
48X-RAY DIFFRACTION48chain 'F' and (resid 320 through 378 )
49X-RAY DIFFRACTION49chain 'F' and (resid 379 through 410 )

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