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- PDB-8s7c: Ternary Complex of Cachd1, FZD5 and LRP6 -

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Basic information

Entry
Database: PDB / ID: 8s7c
TitleTernary Complex of Cachd1, FZD5 and LRP6
Components
  • Frizzled-5
  • Low-density lipoprotein receptor-related protein 6
  • VWFA and cache domain-containing protein 1
KeywordsSIGNALING PROTEIN / Cachd1 Frizzled-5 LRP6
Function / homology
Function and homology information


regulation of chorionic trophoblast cell proliferation / Spemann organizer formation / Disassembly of the destruction complex and recruitment of AXIN to the membrane / embryonic camera-type eye morphogenesis / syncytiotrophoblast cell differentiation involved in labyrinthine layer development / Wnt-Frizzled-LRP5/6 complex / chorionic trophoblast cell differentiation / embryonic camera-type eye development / Negative regulation of TCF-dependent signaling by WNT ligand antagonists / WNT5A-dependent internalization of FZD2, FZD5 and ROR2 ...regulation of chorionic trophoblast cell proliferation / Spemann organizer formation / Disassembly of the destruction complex and recruitment of AXIN to the membrane / embryonic camera-type eye morphogenesis / syncytiotrophoblast cell differentiation involved in labyrinthine layer development / Wnt-Frizzled-LRP5/6 complex / chorionic trophoblast cell differentiation / embryonic camera-type eye development / Negative regulation of TCF-dependent signaling by WNT ligand antagonists / WNT5A-dependent internalization of FZD2, FZD5 and ROR2 / Signaling by RNF43 mutants / apoptotic process involved in morphogenesis / post-embryonic camera-type eye development / Asymmetric localization of PCP proteins / Regulation of FZD by ubiquitination / neural crest formation / anterior/posterior axis specification, embryo / kinase inhibitor activity / embryonic axis specification / Ca2+ pathway / cellular response to molecule of bacterial origin / presynapse assembly / positive regulation of JUN kinase activity / Wnt receptor activity / non-canonical Wnt signaling pathway / low-density lipoprotein particle receptor activity / toxin transmembrane transporter activity / Wnt-protein binding / branching involved in labyrinthine layer morphogenesis / eye development / cellular response to cholesterol / dopaminergic neuron differentiation / midbrain dopaminergic neuron differentiation / frizzled binding / vasculature development / Wnt signalosome / Disassembly of the destruction complex and recruitment of AXIN to the membrane / labyrinthine layer blood vessel development / voltage-gated calcium channel complex / regulation of bicellular tight junction assembly / neural crest cell differentiation / negative regulation of smooth muscle cell apoptotic process / bicellular tight junction / canonical Wnt signaling pathway / protein serine/threonine kinase inhibitor activity / voltage-gated calcium channel activity / coreceptor activity / cell maturation / positive regulation of cell cycle / Regulation of FZD by ubiquitination / positive regulation of interleukin-1 beta production / protein localization to plasma membrane / TCF dependent signaling in response to WNT / positive regulation of T cell cytokine production / cell-cell adhesion / response to peptide hormone / positive regulation of type II interferon production / G protein-coupled receptor activity / Wnt signaling pathway / endocytosis / positive regulation of tumor necrosis factor production / T cell differentiation in thymus / nervous system development / amyloid-beta binding / positive regulation of cytosolic calcium ion concentration / angiogenesis / cytoplasmic vesicle / early endosome membrane / chemical synaptic transmission / perikaryon / membrane raft / signaling receptor binding / Golgi membrane / negative regulation of cell population proliferation / axon / neuronal cell body / ubiquitin protein ligase binding / lipid binding / synapse / dendrite / protein kinase binding / positive regulation of DNA-templated transcription / protein-containing complex binding / perinuclear region of cytoplasm / glutamatergic synapse / cell surface / Golgi apparatus / endoplasmic reticulum / protein homodimerization activity / positive regulation of transcription by RNA polymerase II / extracellular region / identical protein binding / plasma membrane
Similarity search - Function
CACHD1 C-terminal domain / Frizzled-5, CRD domain / Low density lipoprotein receptor-related protein 5/6 / : / Periplasmic sensor-like domain superfamily / : / Frizzled/Smoothened, transmembrane domain / Frizzled/Smoothened family membrane region / Frizzled/Smoothened family membrane region / Frizzled/secreted frizzled-related protein ...CACHD1 C-terminal domain / Frizzled-5, CRD domain / Low density lipoprotein receptor-related protein 5/6 / : / Periplasmic sensor-like domain superfamily / : / Frizzled/Smoothened, transmembrane domain / Frizzled/Smoothened family membrane region / Frizzled/Smoothened family membrane region / Frizzled/secreted frizzled-related protein / Frizzled / Frizzled domain / Frizzled cysteine-rich domain superfamily / Fz domain / Frizzled (fz) domain profile. / Low-density lipoprotein receptor repeat class B / LDL-receptor class B (LDLRB) repeat profile. / LDLR class B repeat / Low-density lipoprotein-receptor YWTD domain / Low-density lipoprotein receptor domain class A / Low-density lipoprotein (LDL) receptor class A, conserved site / LDL-receptor class A (LDLRA) domain signature. / LDL-receptor class A (LDLRA) domain profile. / Low-density lipoprotein receptor domain class A / Low-density lipoprotein (LDL) receptor class A repeat / LDL receptor-like superfamily / Six-bladed beta-propeller, TolB-like / Coagulation Factor Xa inhibitory site / GPCR, family 2-like / G-protein coupled receptors family 2 profile 2. / VWFA domain profile. / von Willebrand factor, type A / Epidermal growth factor-like domain. / von Willebrand factor A-like domain superfamily / EGF-like domain signature 2. / EGF-like domain
Similarity search - Domain/homology
Low-density lipoprotein receptor-related protein 6 / VWFA and cache domain-containing protein 1 / Frizzled-5
Similarity search - Component
Biological speciesMus musculus (house mouse)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 4.7 Å
AuthorsZhao, Y. / Ren, J. / Jones, E.Y.
Funding support United Kingdom, 2items
OrganizationGrant numberCountry
Cancer Research UKC375/A17721 United Kingdom
Wellcome Trust223133/Z/21/Z United Kingdom
CitationJournal: Science / Year: 2024
Title: Cachd1 interacts with Wnt receptors and regulates neuronal asymmetry in the zebrafish brain.
Authors: Powell, G.T. / Faro, A. / Zhao, Y. / Stickney, H. / Novellasdemunt, L. / Henriques, P. / Gestri, G. / Redhouse White, E. / Ren, J. / Lu, W. / Young, R.M. / Hawkins, T.A. / Cavodeassi, F. / ...Authors: Powell, G.T. / Faro, A. / Zhao, Y. / Stickney, H. / Novellasdemunt, L. / Henriques, P. / Gestri, G. / Redhouse White, E. / Ren, J. / Lu, W. / Young, R.M. / Hawkins, T.A. / Cavodeassi, F. / Schwarz, Q. / Dreosti, E. / Raible, D.W. / Li, V.S.W. / Wright, G.J. / Jones, E.Y. / Wilson, S.W.
History
DepositionFeb 29, 2024Deposition site: PDBE / Processing site: PDBE
Revision 1.0Apr 24, 2024Provider: repository / Type: Initial release
Revision 1.1May 15, 2024Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Oct 16, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: VWFA and cache domain-containing protein 1
B: Frizzled-5
C: Low-density lipoprotein receptor-related protein 6
D: VWFA and cache domain-containing protein 1
E: Frizzled-5
F: Low-density lipoprotein receptor-related protein 6
G: VWFA and cache domain-containing protein 1
H: Frizzled-5
I: Low-density lipoprotein receptor-related protein 6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)637,94241
Polymers630,4579
Non-polymers7,48532
Water00
1
A: VWFA and cache domain-containing protein 1
B: Frizzled-5
C: Low-density lipoprotein receptor-related protein 6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)212,56813
Polymers210,1523
Non-polymers2,41510
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: VWFA and cache domain-containing protein 1
E: Frizzled-5
F: Low-density lipoprotein receptor-related protein 6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)212,58614
Polymers210,1523
Non-polymers2,43311
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
G: VWFA and cache domain-containing protein 1
H: Frizzled-5
I: Low-density lipoprotein receptor-related protein 6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)212,78914
Polymers210,1523
Non-polymers2,63611
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)283.697, 198.236, 218.824
Angle α, β, γ (deg.)90.00, 128.07, 90.00
Int Tables number5
Space group name H-MC121

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Components

#1: Protein VWFA and cache domain-containing protein 1 / Cache domain-containing protein 1


Mass: 123058.031 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Cachd1, Kiaa1573, Vwcd1 / Production host: Homo sapiens (human) / References: UniProt: Q6PDJ1
#2: Protein Frizzled-5 / Fz-5 / mFz5


Mass: 15924.286 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Fzd5 / Production host: Homo sapiens (human) / References: UniProt: Q9EQD0
#3: Protein Low-density lipoprotein receptor-related protein 6 / LRP-6


Mass: 71170.094 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: LRP6 / Production host: Homo sapiens (human) / References: UniProt: O75581
#4: 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.: 2
Source method: isolated from a genetically manipulated source
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
#5: 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.: 30 / 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
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: 3.84 Å3/Da / Density % sol: 68 %
Crystal growTemperature: 296 K / Method: evaporation / pH: 4.5
Details: 0.1 M Calcium Acetate 0.1 M Sodium Acetate 10% PEG 4000 pH 4.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9762 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jul 2, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9762 Å / Relative weight: 1
ReflectionResolution: 4.7→172.259 Å / Num. obs: 23514 / % possible obs: 88.8 % / Redundancy: 6.8 % / CC1/2: 0.99 / Net I/σ(I): 6.3
Reflection shellResolution: 4.7→5.4 Å / Num. unique obs: 1177 / CC1/2: 0.437

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Processing

Software
NameVersionClassification
PHENIX(1.18.2_3874: ???)refinement
xia2data scaling
xia2data reduction
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 4.7→86.13 Å / SU ML: 0.78 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 36.65 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2608 1186 5.05 %
Rwork0.2063 --
obs0.2092 23464 47.21 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 4.7→86.13 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms41238 0 476 0 41714
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00242599
X-RAY DIFFRACTIONf_angle_d0.57757838
X-RAY DIFFRACTIONf_dihedral_angle_d9.69715777
X-RAY DIFFRACTIONf_chiral_restr0.0496591
X-RAY DIFFRACTIONf_plane_restr0.0047456
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
4.7-4.910.5734120.3167203X-RAY DIFFRACTION3
4.92-5.170.3495190.3085505X-RAY DIFFRACTION9
5.17-5.50.4165610.3072899X-RAY DIFFRACTION15
5.5-5.920.3808780.30861529X-RAY DIFFRACTION26
5.92-6.520.36821660.29332903X-RAY DIFFRACTION50
6.52-7.460.30382240.24844498X-RAY DIFFRACTION76
7.46-9.40.26652940.18995810X-RAY DIFFRACTION98
9.4-86.130.20933320.17395931X-RAY DIFFRACTION99
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)
10.0279-0.8538-0.85831.31081.97892.3675-0.98671.6628-0.1886-0.79750.0106-0.09820.3964-0.7427-0.15990.6673-0.6103-0.72872.0004-0.1941.7951-60.6769-82.842115.6162
25.888-2.0135-2.61414.3685-3.77437.0873-0.89020.54391.101-0.5333-0.0624-1.06940.206-1.00110.26750.54650.0141-0.33991.80890.34272.061-24.6874-105.263219.7284
31.76411.37340.39241.08150.88052.855-0.5761-0.0870.9136-1.2768-0.1508-0.7357-0.34940.3212-0.26960.92590.29530.04151.65930.16181.3259-30.9645-101.95525.9867
41.8016-1.7122-0.43081.6588-0.4496.85510.55021.16020.72480.77910.0361-0.9514-2.3150.9479-0.24672.2393-0.5126-0.2471.5543-0.25241.6007-26.927-83.184350.5281
50.7136-0.34650.35871.97950.7674.0847-1.32430.04010.98450.440.1841-0.8207-0.37290.76870.20331.37470.085-0.17942.0915-0.10731.9629-22.4799-95.076861.6537
63.9160.26321.69912.9190.66290.6615-0.40650.3165-0.26020.42090.28940.34660.2370.23840.25421.2791-0.18670.29661.1659-0.13561.3504-51.4344-87.830424.9867
70.8596-0.1244-1.13011.88490.28121.7295-0.26580.04150.02180.7271-0.17630.5032-0.64340.5683-0.0681.4876-0.0183-0.18772.02780.29281.1217-56.7928-78.13062.9613
81.4853-0.88570.77776.093-0.70670.34651.10061.23060.36892.0467-0.64010.8632-0.51950.81540.19832.92090.15270.19291.6815-0.25571.2496-56.6479-56.436611.2695
96.7071.44954.58920.59290.53715.79511.7922-0.35770.77581.3647-0.81390.5017-1.9948-1.4958-1.05482.724-0.0240.62931.6730.19981.8572-53.8305-51.936726.6764
100.6778-2.15680.1155.2163-0.30131.1079-0.0789-0.40390.0648-0.83740.1849-1.9258-1.7058-0.73740.08053.0008-0.46030.49541.1682-0.44021.8364-49.5697-59.348232.0564
114.4358-3.1621-0.01092.31611.1598.1897-1.5029-2.63281.7931-1.39810.9782-1.5860.20060.53270.81481.7957-0.6209-0.03972.0652-0.12732.2677-37.7412-55.67350.7245
126.08261.83380.5955.50182.10996.7754-2.817-0.6911.5602-0.3839-1.44480.8243-1.0416-1.64333.84182.14220.86650.34563.0272-0.75182.5642-51.3554-30.871452.3781
133.51032.67863.4792.33932.64833.444-2.34990.9026-0.8091-0.9645-1.34830.5356-0.4849-1.35993.1092.37740.66130.86192.4709-0.02271.4421-45.9505-39.267852.028
143.00612.51070.27745.53832.43633.98970.14081.44650.6873-6.6020.49641.38121.0433-0.5983-0.38155.05840.9212-0.31881.05170.69612.9335-47.4047-28.692343.8707
157.45632.6938-0.81051.9991-8.94289.61321.76532.06481.3454-5.94261.52590.2325-3.2653-0.679-1.08835.03360.13340.57572.212-0.60062.1728-44.5674-43.769542.4656
163.37213.0121-4.30282.6982-3.88965.8308-0.15313.37731.662-1.14971.8132-2.3166-1.3581-0.33120.01174.7324-0.2478-0.35863.59780.09912.9858-39.6269-38.197945.6117
174.6776-1.2562-0.95076.2607-0.97882.48243.65330.06772.8196-2.4654-0.597-1.9794-2.7798-0.7999-1.46213.95760.12360.28271.6991-1.12832.1223-38.9005-25.020752.668
181.9969-5.3073-7.82055.55163.43615.7158-2.3717-1.743-3.3812.9141-1.1679-0.52630.34921.23120.452.53090.1171-0.65393.14-0.55452.0647-30.3998-44.260840.169
199.69614.37750.45795.5546-5.33819.1153-2.19511.0831-1.77361.39671.1163-0.0505-0.70540.94671.61632.5145-0.56011.06042.74520.05412.2314-37.4384-45.091233.4525
207.45181.27733.6293.70710.19442.6073-0.04541.4257-0.41170.249-0.5291.79420.4105-1.19380.6141.5337-0.29251.28723.3715-1.04242.7787-32.3599-32.726836.7477
210.74370.24860.88078.4578-1.33361.41760.15991.31840.48812.00110.10240.6024-1.3263-0.598-0.03210.89070.93011.12152.61090.67971.7978-41.5722-135.961827.3146
223.66010.39950.67072.5461-1.51752.7777-1.38770.06160.1156-0.26070.36431.3951.1302-0.3392-0.00870.8403-0.15160.66162.0306-0.30891.2225-28.1911-138.908232.2304
231.392-0.89621.29815.4132-1.27956.7285-1.2870.23041.4436-1.14050.68690.79881.03750.4482-0.12381.0791-0.0639-0.28761.5622-0.03251.6202-19.2781-137.022424.1006
240.6027-0.3311.68372.410.45735.5399-0.33630.3061-0.69780.1749-0.9815-1.2339-1.0424-0.0182-0.52730.3665-0.46810.03971.49690.10771.5866-23.005-133.226913.0002
251.72070.3824-1.77631.67460.81932.9228-0.0020.51431.2703-0.50010.1577-0.6149-1.4202-0.5347-0.01871.27770.14250.0321.88490.22861.0891-36.3399-128.080511.0414
261.8972-0.35510.09191.91780.79390.1739-1.06370.6695-0.4596-0.46950.49260.0412-0.266-0.99220.22911.7512-0.3132-0.24781.63140.15921.1483-19.9242-148.683432.4728
271.2986-0.8929-2.65349.96911.23516.3099-1.1017-0.04880.76462.64830.88390.63392.0453-0.1575-1.15251.06250.5225-0.60781.65730.35871.3493-18.4454-139.657453.2244
283.9659-0.6784-2.14872.7296-1.7844.36010.0766-0.3459-0.67881.15031.4243-1.265-1.38040.5237-0.78962.0994-0.309-0.39921.8359-0.0941.3829-14.6339-139.485470.3234
292.94282.1912.01927.4415-0.44591.8669-0.2129-0.2540.61761.2966-0.1576-0.4753-0.97520.15140.20891.52770.0616-0.19312.09060.17761.9799-1.2108-133.953559.6953
301.6162-1.4794-2.07481.2911.83642.4611-0.4294-0.2724-1.51721.1162-0.87180.78971.1107-0.25971.36282.09290.2962-0.52712.42410.26822.0397-10.8489-155.398578.443
310.65260.5551.66813.6523-1.00822.79550.35260.1013-1.8127-1.70560.5152-0.17171.32470.37450.49620.28250.65290.57181.8101-0.14661.8215-90.645-115.398532.3446
320.44080.7690.55121.00561.78963.61970.0409-0.10710.02081.2597-0.2347-0.67090.3339-0.1072-0.06571.49570.2395-0.14771.31330.07881.4423-110.8631-90.067944.6166
331.00590.9636-0.70952.77491.21253.2125-0.2656-0.44380.08210.0310.4948-0.13020.2917-1.6467-0.00031.4842-0.1297-0.27471.8676-0.05781.1865-110.8966-81.379441.9972
341.1295-0.618-1.37461.39830.72661.72460.17830.1257-0.11960.6777-0.45530.97160.70340.19730.10471.87210.02530.24311.29070.06531.8011-82.3255-124.859942.6628
351.633-0.38860.62113.44713.36995.9469-0.2151-0.1733-0.5425-0.208-0.1263-0.03420.7983-0.57810.31161.15710.19540.07311.84070.20841.6931-92.1395-128.371864.1339
362.1162-4.2999-0.36359.3828-0.64452.72882.0601-0.243-2.1662-3.37610.9307-1.9618-2.544-0.001-1.92612.9658-0.4284-0.63022.79520.35012.5317-88.6554-110.947797.5013
370.82880.8816-0.770.9371-0.8220.85760.04181.87192.2717-1.5168-1.26740.34141.9402-0.31970.45844.02580.5087-0.23022.19710.62792.4468-90.1806-121.32998.9867
383.05070.0107-0.59813.66182.07243.93470.9150.5429-1.64330.53441.30130.7488-4.3133-1.1373-1.56333.61620.0354-0.58622.01550.17061.9033-94.4308-114.708587.2901
391.26040.3028-2.05550.056-0.50093.3021-0.111-0.66650.67762.69680.59110.79013.6175-1.30460.41623.7947-0.44430.03521.8585-0.03851.2669-103.1173-115.438194.5669
405.86294.0971-3.09683.9518-3.52833.34310.05670.9408-0.84070.53920.91211.6673-0.077-0.728-0.06192.6997-1.70840.82011.8132-0.382.3825-100.9296-121.568579.7827
415.58983.65782.13971.9962-3.05363.37661.56930.5761-0.79910.05031.36582.33331.7614-1.1441.9741.4114-0.9746-0.09023.7789-0.06651.2794-105.4578-124.847892.4714
421.77971.02771.13442.0585-0.61852.96541.2758-0.62950.53260.2180.1941-0.68530.21261.34080.5566-0.62360.42580.56362.04120.50652.1815-98.5252-82.1311-2.142
433.5022-1.02472.26050.611-0.55541.49370.53630.1552-0.3759-0.3502-0.076-0.34880.7341.24560.00290.8586-0.41440.41371.5574-0.29581.4087-116.34-79.4424-2.2093
441.4247-2.15451.85843.3522-2.5476.9497-0.32871.64790.7665-0.4247-0.3334-1.37530.49710.57880.09530.8437-0.2747-0.15232.1078-0.30371.9509-117.563-96.8116-5.2547
454.7599-1.1241-2.03412.0478-2.63515.30030.906-0.4933-0.59631.51320.22990.115-0.91120.7509-0.16690.47160.01290.67971.6979-0.58661.8386-103.4697-94.4186-6.3539
461.0311.9406-0.56353.5476-1.41428.6654-0.92080.24142.5127-0.442-0.37210.3463-0.6999-3.574-0.731-0.0209-0.1835-0.17212.0132-0.92042.6161-123.9699-68.3274-14.1531
470.355-1.3114-0.42236.44493.65582.54490.4897-0.7128-0.2815-0.0761-1.67610.31131.3395-0.70350.34820.5326-0.0908-0.15341.5187-0.21071.1082-125.8329-47.789316.759
483.412-0.57551.04523.91591.64361.5758-0.47120.4018-1.35341.43890.9121.6426-0.6748-0.66020.51030.7771-0.1070.76252.5030.52721.6408-134.2683-58.202712.8489
492.97522.2492-0.75153.23850.33933.8018-0.20890.26621.1656-0.8595-1.07391.7918-2.43510.57070.33751.12130.09890.24491.5181-0.08141.73-125.0987-26.01538.1678
500.16520.77360.14254.0869-1.80151.2215-0.7208-0.5968-0.2990.6031-0.12280.0285-1.00070.2809-0.2651.49590.0264-0.00831.458-0.40791.3714-56.62783.4397106.7187
512.7971.0553-0.08231.30940.93584.95340.2831-0.3919-0.03461.0593-0.2848-0.3079-0.66341.13220.35991.18880.07170.24731.60370.02321.5409-25.22825.514282.6912
524.63132.0911.53884.6488-0.38916.25750.7093-0.1119-0.54361.8202-1.3402-0.43040.12221.09320.66821.48090.97260.16530.9940.59221.5948-26.0484-26.568386.6323
533.69931.63752.49583.97220.58064.2572-1.18210.6868-1.80260.28070.6985-0.73030.38150.5970.23591.01351.16450.07851.84870.71051.514-25.5406-33.284179.4109
541.2854-0.99140.07282.5997-0.23490.99010.0349-0.24940.11170.8971-0.0111-0.1686-0.0251-0.0290.2031.5517-0.3112-0.29941.03980.0591.2158-46.6136-2.6198104.2632
553.8476-3.8263-0.59843.77921.26513.5162-0.4648-1.0781-1.65811.1017-0.02391.07570.8489-0.27990.13512.9451-0.35010.41781.19980.25831.2581-49.4538-22.1131127.2648
561.5781-1.1295-2.20773.83611.25492.85270.39240.1942-0.59740.930.39610.1604-0.4102-0.4257-0.1983.1802-0.09430.04561.1730.31092.1632-45.8885-23.1803117.9766
572.27052.44062.72963.38253.35423.47430.2937-0.74710.0290.43881.1964-2.67820.96841.359-1.46192.4301-0.116-0.39972.1094-0.11452.8668-31.37131.2847135.8293
580.4502-0.0515-0.32940.0221-0.18212.4917-2.1188-1.0634-0.821-0.61221.5521.5427-1.06170.54660.28832.734-0.73990.58522.0301-0.42132.2056-44.7446-53.1076130.5931
595.33162.2159-3.67789.0043-3.58476.8511.5897-0.28120.27454.37520.4355-1.45041.7071-0.08520.90173.3291-1.10760.44091.44930.10892.1398-42.816-41.218132.239
603.217-0.6732-0.50690.9034-2.30617.32-0.7005-0.07430.33674.3228-1.1042-2.89470.7192-1.60280.59923.1367-0.8573-0.20331.51490.04622.6335-34.9228-51.4962130.7037
610.27570.0517-0.20232.232-2.09052.1786-1.41090.0804-0.3280.2574-0.6418-3.02-0.93131.00860.9191.8227-0.3116-0.84082.52521.02573.1741-28.2433-37.7946128.5459
620.2152-1.0796-0.01215.00480.48330.7435-0.29150.81180.36050.6958-0.05381.31870.53480.24060.07830.54250.1676-0.11542.02150.31271.8404-40.199719.117253.5081
632.6168-0.5585-0.23363.97161.48141.1829-0.76712.45182.27540.46660.75181.5272-0.4782-0.4684-0.00791.1819-0.1732-0.34391.10030.63511.9081-27.554815.353747.4693
640.48440.7624-1.06452.2482-1.04132.4644-0.16210.3850.08060.6263-0.6559-0.48990.62760.81880.17120.9082-0.1776-0.85432.00450.47521.1654-18.929524.53156.8055
650.81811.8496-0.18595.1722-0.04520.5780.312-0.45-0.65590.9372-0.61450.0146-0.85930.20880.17041.8531-1.2734-1.94250.5542-0.59351.9063-28.655830.819466.6126
662.54070.8668-1.62111.331-0.47770.990.4818-0.22760.18380.35490.41220.06570.74020.6961-0.09131.0321-0.1038-0.36451.3633-0.13861.5424-31.923428.187755.6762
672.4349-2.70071.54335.3962-0.8563.25320.1196-0.7335-0.1885-0.5977-0.3058-0.82820.1570.31970.09751.5040.62060.58171.87120.36610.8526-18.8495-1.460633.267
681.14790.07050.16560.6431.56363.7017-0.1324-0.53320.9248-0.5279-1.3132-1.85952.70280.8740.81021.9080.61440.2052.16880.62162.2304-15.5123-22.870426.666
694.0892-2.04310.52393.0006-1.09141.62040.02981.4750.1156-0.0319-1.6496-0.1342-0.03852.3366-0.0541.31930.9860.24652.46830.20842.4747-2.1841-20.390833.6737
702.46180.7064-1.45792.51912.50414.1250.59330.0819-0.3936-0.05990.1173-0.20491.46580.9417-0.19961.70020.52780.14841.97030.37781.9448-9.1249-10.10826.5646
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 53 through 129 )
2X-RAY DIFFRACTION2chain 'A' and (resid 130 through 182 )
3X-RAY DIFFRACTION3chain 'A' and (resid 183 through 239 )
4X-RAY DIFFRACTION4chain 'A' and (resid 240 through 340 )
5X-RAY DIFFRACTION5chain 'A' and (resid 341 through 436 )
6X-RAY DIFFRACTION6chain 'A' and (resid 437 through 678 )
7X-RAY DIFFRACTION7chain 'A' and (resid 679 through 787 )
8X-RAY DIFFRACTION8chain 'A' and (resid 788 through 865 )
9X-RAY DIFFRACTION9chain 'A' and (resid 866 through 942 )
10X-RAY DIFFRACTION10chain 'A' and (resid 943 through 1015 )
11X-RAY DIFFRACTION11chain 'A' and (resid 1016 through 1088 )
12X-RAY DIFFRACTION12chain 'B' and (resid 32 through 38 )
13X-RAY DIFFRACTION13chain 'B' and (resid 39 through 46 )
14X-RAY DIFFRACTION14chain 'B' and (resid 47 through 59 )
15X-RAY DIFFRACTION15chain 'B' and (resid 60 through 81 )
16X-RAY DIFFRACTION16chain 'B' and (resid 82 through 90 )
17X-RAY DIFFRACTION17chain 'B' and (resid 91 through 105 )
18X-RAY DIFFRACTION18chain 'B' and (resid 106 through 122 )
19X-RAY DIFFRACTION19chain 'B' and (resid 123 through 128 )
20X-RAY DIFFRACTION20chain 'B' and (resid 129 through 135 )
21X-RAY DIFFRACTION21chain 'C' and (resid 630 through 690 )
22X-RAY DIFFRACTION22chain 'C' and (resid 691 through 733 )
23X-RAY DIFFRACTION23chain 'C' and (resid 734 through 777 )
24X-RAY DIFFRACTION24chain 'C' and (resid 778 through 819 )
25X-RAY DIFFRACTION25chain 'C' and (resid 820 through 878 )
26X-RAY DIFFRACTION26chain 'C' and (resid 879 through 947 )
27X-RAY DIFFRACTION27chain 'C' and (resid 948 through 993 )
28X-RAY DIFFRACTION28chain 'C' and (resid 994 through 1081 )
29X-RAY DIFFRACTION29chain 'C' and (resid 1082 through 1203 )
30X-RAY DIFFRACTION30chain 'C' and (resid 1204 through 1246 )
31X-RAY DIFFRACTION31chain 'D' and (resid 53 through 168 )
32X-RAY DIFFRACTION32chain 'D' and (resid 169 through 369 )
33X-RAY DIFFRACTION33chain 'D' and (resid 370 through 506 )
34X-RAY DIFFRACTION34chain 'D' and (resid 507 through 865 )
35X-RAY DIFFRACTION35chain 'D' and (resid 866 through 1088 )
36X-RAY DIFFRACTION36chain 'E' and (resid 32 through 46 )
37X-RAY DIFFRACTION37chain 'E' and (resid 47 through 59 )
38X-RAY DIFFRACTION38chain 'E' and (resid 60 through 90 )
39X-RAY DIFFRACTION39chain 'E' and (resid 91 through 122 )
40X-RAY DIFFRACTION40chain 'E' and (resid 123 through 128 )
41X-RAY DIFFRACTION41chain 'E' and (resid 129 through 135 )
42X-RAY DIFFRACTION42chain 'F' and (resid 630 through 690 )
43X-RAY DIFFRACTION43chain 'F' and (resid 691 through 777 )
44X-RAY DIFFRACTION44chain 'F' and (resid 778 through 834 )
45X-RAY DIFFRACTION45chain 'F' and (resid 835 through 896 )
46X-RAY DIFFRACTION46chain 'F' and (resid 897 through 930 )
47X-RAY DIFFRACTION47chain 'F' and (resid 931 through 1146 )
48X-RAY DIFFRACTION48chain 'F' and (resid 1147 through 1203 )
49X-RAY DIFFRACTION49chain 'F' and (resid 1204 through 1246 )
50X-RAY DIFFRACTION50chain 'G' and (resid 53 through 129 )
51X-RAY DIFFRACTION51chain 'G' and (resid 130 through 239 )
52X-RAY DIFFRACTION52chain 'G' and (resid 240 through 304 )
53X-RAY DIFFRACTION53chain 'G' and (resid 305 through 386 )
54X-RAY DIFFRACTION54chain 'G' and (resid 387 through 865 )
55X-RAY DIFFRACTION55chain 'G' and (resid 866 through 942 )
56X-RAY DIFFRACTION56chain 'G' and (resid 943 through 1015 )
57X-RAY DIFFRACTION57chain 'G' and (resid 1016 through 1088 )
58X-RAY DIFFRACTION58chain 'H' and (resid 32 through 51 )
59X-RAY DIFFRACTION59chain 'H' and (resid 52 through 76 )
60X-RAY DIFFRACTION60chain 'H' and (resid 77 through 105 )
61X-RAY DIFFRACTION61chain 'H' and (resid 106 through 135 )
62X-RAY DIFFRACTION62chain 'I' and (resid 630 through 690 )
63X-RAY DIFFRACTION63chain 'I' and (resid 691 through 733 )
64X-RAY DIFFRACTION64chain 'I' and (resid 734 through 819 )
65X-RAY DIFFRACTION65chain 'I' and (resid 820 through 849 )
66X-RAY DIFFRACTION66chain 'I' and (resid 850 through 911 )
67X-RAY DIFFRACTION67chain 'I' and (resid 912 through 1032 )
68X-RAY DIFFRACTION68chain 'I' and (resid 1033 through 1081 )
69X-RAY DIFFRACTION69chain 'I' and (resid 1082 through 1146 )
70X-RAY DIFFRACTION70chain 'I' and (resid 1147 through 1246 )

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