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- PDB-8wed: Crystal structure of Arabidopsis thaliana MIK2 ectodomain in comp... -

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Basic information

Entry
Database: PDB / ID: 8wed
TitleCrystal structure of Arabidopsis thaliana MIK2 ectodomain in complex with BAK1 ectodomain and Fusarium oxysporum SCOOPL
Components
  • BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1
  • MDIS1-interacting receptor like kinase 2
  • a SCOOP-like peptide from F. oxysporum f. sp. conglutinans strain Fo5176
KeywordsPLANT PROTEIN / LRR receptor-like serine/threonine-protein kinase
Function / homology
Function and homology information


indole glucosinolate biosynthetic process / positive regulation of defense response / pollen tube / pollen tube guidance / response to herbivore / defense response to insect / peptide receptor activity / jasmonic acid biosynthetic process / cellular response to peptide / plasmodesma ...indole glucosinolate biosynthetic process / positive regulation of defense response / pollen tube / pollen tube guidance / response to herbivore / defense response to insect / peptide receptor activity / jasmonic acid biosynthetic process / cellular response to peptide / plasmodesma / receptor serine/threonine kinase binding / transmembrane receptor protein tyrosine kinase activity / peptide binding / response to molecule of bacterial origin / defense response / receptor protein-tyrosine kinase / non-specific serine/threonine protein kinase / endosome membrane / signaling receptor binding / protein serine kinase activity / protein serine/threonine kinase activity / ATP binding / identical protein binding / plasma membrane
Similarity search - Function
: / Leucine-rich repeat-containing N-terminal, plant-type / Leucine rich repeat N-terminal domain / : / Leucine-rich repeat region / Leucine Rich Repeat / Leucine-rich repeat, SDS22-like subfamily / Leucine rich repeat / Leucine-rich repeat, typical subtype / Leucine-rich repeats, typical (most populated) subfamily ...: / Leucine-rich repeat-containing N-terminal, plant-type / Leucine rich repeat N-terminal domain / : / Leucine-rich repeat region / Leucine Rich Repeat / Leucine-rich repeat, SDS22-like subfamily / Leucine rich repeat / Leucine-rich repeat, typical subtype / Leucine-rich repeats, typical (most populated) subfamily / Leucine-rich repeat profile. / Leucine-rich repeat / Leucine-rich repeat domain superfamily / Tyrosine protein kinases specific active-site signature. / Tyrosine-protein kinase, active site / Serine-threonine/tyrosine-protein kinase, catalytic domain / Protein tyrosine and serine/threonine kinase / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / Protein kinase domain / Serine/Threonine protein kinases, catalytic domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily
Similarity search - Domain/homology
MDIS1-interacting receptor like kinase 2 / BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1
Similarity search - Component
Biological speciesArabidopsis thaliana (thale cress)
Fusarium oxysporum f. sp. pisi HDV247 (fungus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.3 Å
AuthorsWan, L.H. / Hu, Y.X. / Wu, H.M.
Funding support China, 1items
OrganizationGrant numberCountry
National Natural Science Foundation of China (NSFC)32000900 China
CitationJournal: Nat.Plants / Year: 2024
Title: Mechanistic study of SCOOPs recognition by MIK2-BAK1 complex reveals the role of N-glycans in plant ligand-receptor-coreceptor complex formation.
Authors: Wu, H. / Wan, L. / Liu, Z. / Jian, Y. / Zhang, C. / Mao, X. / Wang, Z. / Wang, Q. / Hu, Y. / Xiong, L. / Xia, Z. / Xue, J. / Li, S. / He, P. / Shan, L. / Xu, S.
History
DepositionSep 17, 2023Deposition site: PDBJ / Processing site: PDBC
Revision 1.0Nov 6, 2024Provider: repository / Type: Initial release
Revision 1.1Nov 27, 2024Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ISSN / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Dec 25, 2024Group: 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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: MDIS1-interacting receptor like kinase 2
B: BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1
C: a SCOOP-like peptide from F. oxysporum f. sp. conglutinans strain Fo5176
D: MDIS1-interacting receptor like kinase 2
E: BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1
F: a SCOOP-like peptide from F. oxysporum f. sp. conglutinans strain Fo5176
hetero molecules


Theoretical massNumber of molelcules
Total (without water)213,44730
Polymers204,1336
Non-polymers9,31424
Water00
1
A: MDIS1-interacting receptor like kinase 2
B: BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1
C: a SCOOP-like peptide from F. oxysporum f. sp. conglutinans strain Fo5176
hetero molecules


Theoretical massNumber of molelcules
Total (without water)106,30113
Polymers102,0663
Non-polymers4,23510
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: MDIS1-interacting receptor like kinase 2
E: BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1
F: a SCOOP-like peptide from F. oxysporum f. sp. conglutinans strain Fo5176
hetero molecules


Theoretical massNumber of molelcules
Total (without water)107,14517
Polymers102,0663
Non-polymers5,07914
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)72.674, 178.123, 142.263
Angle α, β, γ (deg.)90.00, 90.11, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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Protein , 2 types, 4 molecules ADBE

#1: Protein MDIS1-interacting receptor like kinase 2 / AtMIK2 / Probable LRR receptor-like serine/threonine-protein kinase At4g08850


Mass: 75533.305 Da / Num. of mol.: 2 / Mutation: L137E/D164K/S564F
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Arabidopsis thaliana (thale cress) / Gene: MIK2, At4g08850, T32A17.160 / Production host: Spodoptera frugiperda (fall armyworm)
References: UniProt: Q8VZG8, non-specific serine/threonine protein kinase
#2: Protein BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1 / AtBAK1 / BRI1-associated receptor kinase 1 / Protein ELONGATED / Somatic embryogenesis receptor ...AtBAK1 / BRI1-associated receptor kinase 1 / Protein ELONGATED / Somatic embryogenesis receptor kinase 3 / AtSERK3 / Somatic embryogenesis receptor-like kinase 3


Mass: 25183.758 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Arabidopsis thaliana (thale cress) / Gene: BAK1, ELG, SERK3, At4g33430, F17M5.190 / Production host: Spodoptera frugiperda (fall armyworm)
References: UniProt: Q94F62, receptor protein-tyrosine kinase, non-specific serine/threonine protein kinase

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Protein/peptide , 1 types, 2 molecules CF

#3: Protein/peptide a SCOOP-like peptide from F. oxysporum f. sp. conglutinans strain Fo5176


Mass: 1349.348 Da / Num. of mol.: 2 / Source method: obtained synthetically
Source: (synth.) Fusarium oxysporum f. sp. pisi HDV247 (fungus)

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Sugars , 7 types, 24 molecules

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


Type: oligosaccharide / Mass: 716.682 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
LFucpa1-3[DGlcpNAcb1-4][LFucpa1-6]DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-1-2/a3-b1_a4-c1_a6-d1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(3+1)][a-L-Fucp]{}[(4+1)][b-D-GlcpNAc]{}[(6+1)][a-L-Fucp]{}}LINUCSPDB-CARE
#5: 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.: 8 / Source method: obtained synthetically
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam 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
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}LINUCSPDB-CARE
#6: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta- ...2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 570.542 Da / Num. of mol.: 1 / Source method: obtained synthetically
DescriptorTypeProgram
DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-1-2/a4-b1_a6-c1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}[(6+1)][a-L-Fucp]{}}LINUCSPDB-CARE
#7: 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.: 2 / Source method: obtained synthetically
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam 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
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}LINUCSPDB-CARE
#8: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 732.682 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1221m-1a_1-5]/1-1-2-3/a4-b1_a6-d1_b4-c1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}[(6+1)][a-L-Fucp]{}}LINUCSPDB-CARE
#9: Polysaccharide alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 367.349 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
LFucpa1-6DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2/a6-b1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(6+1)][a-L-Fucp]{}}LINUCSPDB-CARE
#10: 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.: 9 / Source method: obtained synthetically / Formula: C8H15NO6 / Feature type: SUBJECT OF INVESTIGATION
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 ligand of interestY
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: 4.33 Å3/Da / Density % sol: 71.62 %
Crystal growTemperature: 289 K / Method: evaporation / pH: 5.9 / Details: 0.1 M MES pH 5.9, 22% PEG200, 7% PEG 3000

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Data collection

DiffractionMean temperature: 80 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL19U1 / Wavelength: 0.97853 Å
DetectorType: PSI PILATUS 6M / Detector: PIXEL / Date: Apr 10, 2023
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97853 Å / Relative weight: 1
ReflectionResolution: 3.3→50 Å / Num. obs: 54443 / % possible obs: 99.9 % / Redundancy: 5.8 % / CC1/2: 0.988 / Net I/σ(I): 16.1
Reflection shellResolution: 3.3→3.42 Å / Num. unique obs: 1888 / CC1/2: 0.54

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Processing

Software
NameVersionClassification
PHENIX(1.20.1_4487: ???)refinement
HKL-2000data reduction
HKL-2000data scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.3→36.34 Å / SU ML: 0.36 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 26.25 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2612 2371 4.9 %
Rwork0.2405 --
obs0.2415 48401 88.87 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.3→36.34 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12743 0 611 0 13354
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003
X-RAY DIFFRACTIONf_angle_d0.625
X-RAY DIFFRACTIONf_dihedral_angle_d17.455122
X-RAY DIFFRACTIONf_chiral_restr0.052296
X-RAY DIFFRACTIONf_plane_restr0.0132356
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.3-3.360.4276390.3501815X-RAY DIFFRACTION27
3.36-3.440.3293690.3181442X-RAY DIFFRACTION47
3.44-3.520.36970.30052017X-RAY DIFFRACTION66
3.52-3.610.32011170.28822470X-RAY DIFFRACTION81
3.61-3.70.31971580.28812807X-RAY DIFFRACTION93
3.7-3.810.27231500.26263041X-RAY DIFFRACTION99
3.81-3.930.24611470.24493002X-RAY DIFFRACTION100
3.93-4.070.24551480.23893074X-RAY DIFFRACTION100
4.08-4.240.22721280.22433040X-RAY DIFFRACTION100
4.24-4.430.21641600.21553042X-RAY DIFFRACTION100
4.43-4.660.20131600.20823031X-RAY DIFFRACTION100
4.66-4.960.24791910.2173014X-RAY DIFFRACTION100
4.96-5.340.20371340.22293096X-RAY DIFFRACTION100
5.34-5.870.30111800.25213006X-RAY DIFFRACTION100
5.87-6.720.25491540.22383069X-RAY DIFFRACTION100
6.72-8.440.25171700.24833051X-RAY DIFFRACTION100
8.45-36.340.28711690.21723013X-RAY DIFFRACTION97
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)
11.9428-0.03-0.80325.23432.61881.635-0.1205-0.35330.11160.55190.29320.5937-0.0815-0.6456-0.13660.50520.13830.02820.29220.08160.371134.0136-37.1928117.3066
20.93090.3816-0.591.6834-0.49840.57610.0904-0.21170.07160.2364-0.07110.1587-0.22050.10420.00840.40890.1393-0.16230.0591-0.07590.305849.8631-27.9353108.4181
30.8889-0.41450.55330.9497-0.96541.14420.1450.4580.1167-0.1859-0.3516-0.44120.3851.01130.21180.35740.2346-0.00590.52450.07090.387961.4049-22.415781.4075
41.2732-1.19611.04061.4034-0.5451.44650.23750.7990.0004-0.3719-0.3096-0.14570.5480.85290.06630.45580.18560.03260.56360.10750.236944.1833-10.978657.1492
54.3158-2.08890.18074.58940.27052.6196-0.2167-0.074-0.08460.1661-0.06320.1495-0.6565-0.2590.25710.37370.0242-0.05180.1729-0.01990.168525.45159.12859.1927
61.36070.06050.60491.49470.77171.0623-0.477-0.270.79320.65770.1938-0.1759-1.090.0580.19281.55420.0769-0.3050.4877-0.30530.671328.028729.007168.4391
73.0852-0.99263.12945.15592.34645.4979-0.3584-0.32390.21421.4663-0.01530.1932-0.2706-0.57930.37090.72590.2166-0.00270.52070.0430.291535.9952-5.486983.6657
87.2981-1.99380.04973.4075-0.72662.46860.1088-0.2047-0.45260.7711-0.14560.2133-0.7986-0.3242-0.06070.52690.09810.06070.43350.15690.243634.4996-5.421275.1783
91.9615-0.2097-2.92673.9645-1.50365.2054-0.1535-0.67860.2241.05250.111-0.35-0.9383-0.2565-0.02890.88840.1659-0.13770.6325-0.05650.30936.23114.731676.7078
101.6675-0.4518-2.02660.5158-0.72056.5582-0.2707-0.8530.32450.74060.0333-0.0971-0.91340.25180.18961.28040.2004-0.1650.7637-0.09320.406936.44651.688487.362
112.04670.31391.74420.1699-0.41185.3039-0.5493-0.886-0.21110.73230.3149-0.09580.0845-1.14360.20571.7420.50760.02411.0158-0.04690.505330.69895.052689.0943
122.33871.12171.24280.56640.66961.36090.1407-0.62840.05760.5221-0.0852-0.0379-0.0305-0.1237-0.04541.71250.3537-0.21171.1583-0.20980.53430.32689.348789.9976
131.41060.59350.41931.44951.79413.8891-0.1477-0.07020.1026-0.17060.1137-0.0193-0.1089-0.01730.07011.59960.3245-0.39361.0087-0.35020.71536.679715.846890.4267
142.26071.2038-0.18481.220.38850.42230.0911-1.42340.81950.46-0.47130.3536-0.8062-0.23650.3312.21920.2859-0.13291.4093-0.4080.761728.034818.084496.7286
156.5501-0.67710.36591.26960.7531.2542-1.2642-0.9466-0.08640.75660.67040.2326-0.86250.1620.55292.18320.48030.04461.447-0.45150.944822.584822.987696.2687
163.01370.8398-1.89792.5426-3.83918.6841-0.21750.2719-0.5406-0.35690.03560.57251.1135-0.15540.15380.54070.05370.00420.2685-0.22170.57446.8488-19.898382.4417
170.67570.28770.33461.2510.32421.0209-0.1225-0.19440.09620.3097-0.1778-0.0827-0.2804-0.05-0.0764-0.05320.29120.1543-0.039-0.22550.07887.995315.496126.811
181.11990.49150.22232.2271.36552.50160.1898-0.0928-0.2815-0.05740.0212-0.04050.55750.1526-0.11750.36480.0745-0.13950.1606-0.0220.3389-6.7094-19.3908-9.3659
191.7017-1.56411.02081.4394-1.02813.4812-0.20810.2110.44330.21240.1687-0.52080.02810.50310.07820.23410.0522-0.13660.553-0.21350.3849.4135-5.19297.9849
201.3469-1.82340.69023.06020.48853.78380.21390.25670.1346-0.0441-0.0253-0.34950.07340.5469-0.21050.1482-0.0187-0.03050.3697-0.18960.37193.5667-5.06771.6909
214.087-0.77370.00664.24670.73870.6240.26680.0925-0.49930.31520.1204-0.07120.55830.625-0.39610.38280.1604-0.11540.5268-0.05360.26633.3587-15.23144.1453
222.6186-1.0073-0.18431.0298-0.32071.68910.067-0.2873-0.17840.29710.1596-0.46270.25430.7779-0.19230.45150.2376-0.25720.6916-0.18980.615911.7455-12.266610.7674
231.96770.2023-1.34174.2408-1.24482.801-0.02350.0271-0.01710.4719-0.0945-0.76570.12050.92380.05190.41410.2682-0.13760.8784-0.26310.673216.504-15.96847.4096
245.2112-0.72651.35385.5275-0.12874.3768-0.0054-0.3677-0.31020.5240.7118-0.39540.58990.5262-0.56910.82390.35-0.35110.6008-0.25730.55939.6144-22.813510.581
251.133-1.26180.44272.8345-1.30151.30130.0052-0.09190.00280.5140.2289-0.3690.18680.3351-0.0850.90890.551-0.32410.8967-0.19190.736917.7514-22.86359.6176
265.45642.4183-1.46881.5404-0.23670.76010.2686-0.5203-0.90450.6476-0.2421-0.98080.70940.8784-0.03071.10740.5865-0.41951.1469-0.0780.962721.3782-28.13210.2227
271.93470.61761.17863.3081-0.81684.06480.7406-0.30860.65570.2003-0.472-1.14120.53261.1306-0.22850.63860.3268-0.26951.3552-0.21241.543927.8965-30.85229.504
282.61-0.63230.74720.5026-0.6761.0199-0.0545-0.09750.0236-0.0345-0.1776-0.0838-0.0450.16680.19081.11120.4861-0.55421.23370.01061.5626.1362-34.53275.5772
292.7498-0.8932-0.28832.2480.7462.4406-0.44760.47941.2386-0.07420.51750.199-0.0450.8089-0.17960.26410.08890.02030.36380.11450.58652.13729.705215.6326
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 47 through 99 )
2X-RAY DIFFRACTION2chain 'A' and (resid 100 through 212 )
3X-RAY DIFFRACTION3chain 'A' and (resid 213 through 356 )
4X-RAY DIFFRACTION4chain 'A' and (resid 357 through 498 )
5X-RAY DIFFRACTION5chain 'A' and (resid 499 through 591 )
6X-RAY DIFFRACTION6chain 'A' and (resid 592 through 683 )
7X-RAY DIFFRACTION7chain 'B' and (resid 26 through 41 )
8X-RAY DIFFRACTION8chain 'B' and (resid 42 through 61 )
9X-RAY DIFFRACTION9chain 'B' and (resid 62 through 79 )
10X-RAY DIFFRACTION10chain 'B' and (resid 80 through 95 )
11X-RAY DIFFRACTION11chain 'B' and (resid 96 through 114 )
12X-RAY DIFFRACTION12chain 'B' and (resid 115 through 133 )
13X-RAY DIFFRACTION13chain 'B' and (resid 134 through 146 )
14X-RAY DIFFRACTION14chain 'B' and (resid 147 through 185 )
15X-RAY DIFFRACTION15chain 'B' and (resid 186 through 200 )
16X-RAY DIFFRACTION16chain 'C' and (resid 1 through 13 )
17X-RAY DIFFRACTION17chain 'D' and (resid 47 through 395 )
18X-RAY DIFFRACTION18chain 'D' and (resid 396 through 683 )
19X-RAY DIFFRACTION19chain 'E' and (resid 26 through 41 )
20X-RAY DIFFRACTION20chain 'E' and (resid 42 through 61 )
21X-RAY DIFFRACTION21chain 'E' and (resid 62 through 79 )
22X-RAY DIFFRACTION22chain 'E' and (resid 80 through 95 )
23X-RAY DIFFRACTION23chain 'E' and (resid 96 through 114 )
24X-RAY DIFFRACTION24chain 'E' and (resid 115 through 122 )
25X-RAY DIFFRACTION25chain 'E' and (resid 123 through 146 )
26X-RAY DIFFRACTION26chain 'E' and (resid 147 through 170 )
27X-RAY DIFFRACTION27chain 'E' and (resid 171 through 185 )
28X-RAY DIFFRACTION28chain 'E' and (resid 186 through 199 )
29X-RAY DIFFRACTION29chain 'F' and (resid 1 through 13 )

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