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- PDB-6nrw: Crystal structure of Dpr1 IG1 bound to DIP-eta IG1 -

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Basic information

Entry
Database: PDB / ID: 6nrw
TitleCrystal structure of Dpr1 IG1 bound to DIP-eta IG1
Components
  • DPR1
  • Dpr-interacting protein eta, isoform B
KeywordsCELL ADHESION / Immunoglobulin superfamily / Glycoprotein / Neuronal / Cell surface receptor
Function / homology
Function and homology information


salt aversion / Degradation of the extracellular matrix / Non-integrin membrane-ECM interactions / ECM proteoglycans / HS-GAG biosynthesis / HS-GAG degradation / Integrin cell surface interactions / sensory perception of salty taste / neuron projection membrane / Glycosaminoglycan-protein linkage region biosynthesis ...salt aversion / Degradation of the extracellular matrix / Non-integrin membrane-ECM interactions / ECM proteoglycans / HS-GAG biosynthesis / HS-GAG degradation / Integrin cell surface interactions / sensory perception of salty taste / neuron projection membrane / Glycosaminoglycan-protein linkage region biosynthesis / synapse organization / neuron projection / membrane / plasma membrane
Similarity search - Function
Zwei Ig domain protein zig-8 / : / Immunoglobulin domain / Immunoglobulin I-set / Immunoglobulin I-set domain / Immunoglobulin subtype 2 / Immunoglobulin C-2 Type / Immunoglobulin V-set domain / Immunoglobulin V-set domain / Immunoglobulin subtype ...Zwei Ig domain protein zig-8 / : / Immunoglobulin domain / Immunoglobulin I-set / Immunoglobulin I-set domain / Immunoglobulin subtype 2 / Immunoglobulin C-2 Type / Immunoglobulin V-set domain / Immunoglobulin V-set domain / Immunoglobulin subtype / Immunoglobulin / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
DPR1 / Dpr-interacting protein eta, isoform B
Similarity search - Component
Biological speciesDrosophila melanogaster (fruit fly)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
AuthorsCheng, S. / Park, Y.J. / Kurleto, J.D. / Ozkan, E.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of Neurological Disorders and Stroke (NIH/NINDS)R01 NS097161 United States
CitationJournal: Elife / Year: 2019
Title: Molecular basis of synaptic specificity by immunoglobulin superfamily receptors in Drosophila.
Authors: Cheng, S. / Ashley, J. / Kurleto, J.D. / Lobb-Rabe, M. / Park, Y.J. / Carrillo, R.A. / Ozkan, E.
History
DepositionJan 24, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 6, 2019Provider: repository / Type: Initial release
Revision 1.1Dec 18, 2019Group: Advisory / Author supporting evidence ...Advisory / Author supporting evidence / Data collection / Derived calculations
Category: chem_comp / pdbx_audit_support ...chem_comp / pdbx_audit_support / pdbx_validate_close_contact / struct_conn / struct_site / struct_site_gen
Item: _chem_comp.type / _pdbx_audit_support.funding_organization ..._chem_comp.type / _pdbx_audit_support.funding_organization / _struct_site.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id / _struct_site.pdbx_num_residues
Revision 2.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_validate_close_contact / struct_asym / struct_conn / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_validate_close_contact.auth_asym_id_1 / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_seq_id_1 / _pdbx_validate_close_contact.auth_seq_id_2 / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Oct 11, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / 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_conn
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag
Revision 2.2Nov 20, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: DPR1
B: Dpr-interacting protein eta, isoform B
C: DPR1
D: Dpr-interacting protein eta, isoform B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)55,31312
Polymers52,3594
Non-polymers2,9548
Water1,51384
1
A: DPR1
B: Dpr-interacting protein eta, isoform B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)27,6756
Polymers26,1802
Non-polymers1,4954
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3690 Å2
ΔGint-9 kcal/mol
Surface area11580 Å2
MethodPISA
2
C: DPR1
D: Dpr-interacting protein eta, isoform B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)27,6386
Polymers26,1802
Non-polymers1,4584
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3430 Å2
ΔGint10 kcal/mol
Surface area11500 Å2
MethodPISA
Unit cell
Length a, b, c (Å)74.084, 74.084, 235.445
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number96
Space group name H-MP43212

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Components

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Protein , 2 types, 4 molecules ACBD

#1: Protein DPR1


Mass: 13238.818 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Drosophila melanogaster (fruit fly) / Gene: dpr1, dpr, CG13439 / Cell line (production host): High Five cells / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: Q8T603
#2: Protein Dpr-interacting protein eta, isoform B / Dpr-interacting protein eta / isoform D


Mass: 12940.928 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Drosophila melanogaster (fruit fly)
Gene: DIP-eta, 14010, CT33567, Dmel\CG14010, CG14010, Dmel_CG14010
Cell line (production host): High Five cells / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: Q9VMN9

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Sugars , 5 types, 5 molecules

#3: 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: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam 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
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#4: 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-Glycam 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
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#5: 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-Glycam 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
[]{[(4+1)][b-D-GlcpNAc]{[(3+1)][a-L-Fucp]{}[(4+1)][b-D-GlcpNAc]{}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#6: 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.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam 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
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#8: 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.: 1
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, 87 molecules

#7: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: SO4
#9: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 84 / Source method: isolated from a natural source / Formula: H2O

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Details

Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 3.08 Å3/Da / Density % sol: 60.13 %
Crystal growTemperature: 294 K / Method: vapor diffusion, sitting drop / pH: 6
Details: 0.2 M lithium sulfate, 0.1 M MES, pH 6, 20% (w/v) PEG 4000

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Data collection

DiffractionMean temperature: 120 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.0332 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Mar 9, 2015
RadiationMonochromator: Double crystal cryo-cooled Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0332 Å / Relative weight: 1
ReflectionResolution: 2.4→50 Å / Num. obs: 25092 / % possible obs: 93.4 % / Observed criterion σ(I): -3 / Redundancy: 13.6 % / Rmerge(I) obs: 0.14 / Rrim(I) all: 0.145 / Χ2: 1.422 / Net I/σ(I): 1.8
Reflection shellResolution: 2.4→2.44 Å / Redundancy: 4.7 % / Rmerge(I) obs: 0.664 / Num. unique obs: 724 / CC1/2: 0.77 / Rrim(I) all: 0.732 / Χ2: 0.791 / % possible all: 55.7

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Processing

Software
NameVersionClassification
PHENIX(dev_3112: ???)refinement
HKL-2000data reduction
HKL-2000data scaling
PHASER2.5.7phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5EO9

5eo9


Resolution: 2.4→43.57 Å / SU ML: 0.3 / Data cutoff low absF: 0 / Cross valid method: FREE R-VALUE / Phase error: 28.63
RfactorNum. reflection% reflectionSelection details
Rfree0.2444 1247 4.98 %Random selection
Rwork0.2122 ---
obs0.2138 25031 93.45 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 2.4→43.57 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3403 0 192 84 3679
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0043689
X-RAY DIFFRACTIONf_angle_d0.9955041
X-RAY DIFFRACTIONf_dihedral_angle_d11.5742204
X-RAY DIFFRACTIONf_chiral_restr0.055604
X-RAY DIFFRACTIONf_plane_restr0.004616
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.3952-2.4910.3415860.31411664X-RAY DIFFRACTION61
2.491-2.60440.29841240.28962389X-RAY DIFFRACTION87
2.6044-2.74170.32331420.27542716X-RAY DIFFRACTION97
2.7417-2.91340.33281420.26292733X-RAY DIFFRACTION98
2.9134-3.13830.35381460.25252748X-RAY DIFFRACTION99
3.1383-3.4540.24391450.21922797X-RAY DIFFRACTION99
3.454-3.95360.21661480.2032821X-RAY DIFFRACTION99
3.9536-4.97990.19031520.15962874X-RAY DIFFRACTION100
4.9799-43.57790.22051620.20223042X-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)
15.0544-3.36811.9965.4423-1.79795.84030.38030.67290.2531-0.2114-0.637-0.1357-0.59931.05760.24820.4083-0.11960.12050.3819-0.03080.38291.6852-18.9707-39.9248
26.0097-2.93741.83698.0934-3.81456.87260.1577-0.19590.5740.4931-0.389-0.2575-0.50290.78470.15610.3696-0.15250.03310.4439-0.10990.35473.0298-18.9923-32.0556
35.4654-0.8708-1.18392.6646-3.2685.3486-0.2542-0.5230.0670.12820.42470.0799-0.10970.6377-0.17270.3984-0.00540.02020.2949-0.04070.3162-2.7084-28.4403-25.2184
45.28350.8436-0.11734.7382-5.04065.2708-0.5661-0.7928-0.0561.26450.3214-1.5636-1.96420.77160.39680.7653-0.1381-0.01220.8015-0.20120.673.9976-16.8011-26.3672
56.9808-0.78881.23021.8139-0.79315.7055-0.0796-0.0857-0.3219-0.0170.2418-0.1970.30370.982-0.17530.3670.02440.07560.4031-0.07450.32651.4153-28.7028-32.2001
63.7427-1.7495.90560.8062-2.73559.30210.82210.483-1.96390.79640.9537-1.21221.55050.1396-0.33861.03330.1194-0.06920.50540.0430.7597-8.0696-37.9278-7.1427
72.00622.68335.52955.91170.78833.0629-0.17580.2417-1.00940.05140.80360.27460.5357-0.4031-0.33620.6489-0.02960.23540.46030.03810.551-21.6381-38.0942-19.5417
85.72820.2913.39876.277-2.67646.9828-1.40.42550.54730.34020.69020.7629-0.7676-1.32620.08790.3258-0.00450.11841.20140.14090.5926-33.4388-26.2663-31.018
96.8065-3.87864.40754.4202-0.29684.84420.7675-0.495-0.6756-0.02570.02930.9391.0438-0.4205-0.43080.5646-0.08830.1760.39670.00630.5274-23.2863-31.2937-18.9971
102.2283-0.1326-1.91513.09970.76272.40640.0408-0.2805-0.08490.3630.0351-0.14950.491.0283-0.23240.43610.02090.10670.341-0.02480.2864-13.4115-29.4236-18.2959
115.76572.13460.76244.7389-1.45337.9287-0.06210.06830.249-0.29910.3374-0.3909-0.2169-0.4897-0.20980.26250.02020.07170.12060.01810.2829-13.9678-26.9054-30.5766
124.8241.30740.39424.6553-2.69718.02540.51940.39231.13620.4292-0.17830.3943-1.39910.0401-0.13060.49620.08230.11220.3731-0.01160.4619-17.4191-18.1551-25.5028
135.52231.63070.56374.0294-0.79486.84650.2619-0.44420.40380.2838-0.1166-0.08430.0801-1.0922-0.41090.38130.06490.11850.4651-0.01210.3531-22.247-25.118-17.6079
149.3516-4.2674-4.0424.25874.28154.3616-0.52130.3163-0.0135-0.17710.54060.9469-0.75-0.23670.12390.53710.02560.04780.73520.1940.6062-27.4639-23.7988-35.5797
152.8755-1.58382.63682.3997-0.06853.4824-0.07210.0907-0.16360.2230.2071-0.1065-0.0832-0.35050.14350.4337-0.10520.07050.3850.03790.3238-16.9083-32.8899-26.94
166.111-4.7391-1.57833.8230.69142.3226-1.1552-0.1350.98290.55410.2916-0.5452-0.31640.17350.44760.5093-0.03820.00190.21450.01880.4221-5.5011-35.3319-18.4893
179.3523-2.87346.58376.0839-3.11237.7524-0.0613-0.2883-0.35130.20120.33130.39850.2223-0.7796-0.45550.4373-0.06730.13230.3896-0.00910.4176-22.5667-34.5986-29.3552
184.7403-3.6684-1.02282.88551.64763.57970.02910.19350.17710.1283-0.20670.1948-0.2169-0.79930.28870.301-0.0295-0.00110.57960.02450.3335-20.9417-28.9679-44.233
192.541-2.609-2.68414.26375.23486.68180.25410.83050.0453-1.22420.4136-0.74331.2422-0.2604-0.12211.1989-0.87250.2915-1.17470.64340.2516-10.452-47.4345-48.6665
205.9985-2.3993-0.51156.83431.54663.7711-0.60981.0236-0.92920.28450.46371.01331.54020.52880.40250.8583-0.16380.17660.534-0.18410.4139-13.0243-46.8452-55.4792
215.2495-1.8166-1.61067.27121.48483.4817-0.08570.68090.2239-0.00770.14920.58950.1841-1.00820.02350.3317-0.1072-0.03280.61990.08020.2894-18.4005-28.2827-52.4709
226.9005-1.05575.59914.143-2.34057.74830.5341-0.11440.1765-0.4725-0.1933-0.21050.45540.5109-0.26650.3297-0.11010.06010.3696-0.04740.3522-4.5743-31.5996-56.4525
231.5901-1.37150.01462.24090.0492.22830.08090.0934-0.378-1.158-0.05480.36590.4989-0.551-0.13020.5341-0.11120.03790.52790.01210.3914-9.4042-34.5055-64.6314
249.0169-1.8718-4.27512.33483.61717.43230.16470.6412-0.5391-1.5535-0.21250.6785-0.4313-1.80820.20160.5612-0.1339-0.08240.74940.05630.5098-21.3195-33.9235-58.3225
252.42510.7748-2.05070.3341-0.12633.151-0.14520.0557-0.2772-0.18970.0609-0.09980.1772-0.04370.06150.4426-0.1181-0.00220.44030.0620.3621-9.5184-35.2034-54.1095
269.0282-7.098-4.19775.9045.09595.3571-0.6942-0.2888-0.41551.29470.49190.70990.86140.21230.13170.4561-0.0728-0.02730.41360.02580.2637-9.0832-39.5052-48.4118
275.32590.80083.90175.45242.43633.3290.42121.0882-0.1035-0.31830.17050.3911-0.45750.528-0.54080.5212-0.08660.1860.7591-0.05210.64146.9787-25.7155-69.8147
282.9036-3.1175-2.07556.83947.28878.9-0.022-0.4723-0.0643-0.45080.7006-0.1614-1.12871.1188-0.58180.6335-0.12070.24770.37010.00740.57333.4575-7.9241-57.5177
297.89216.27414.2027.6320.90087.87660.85810.1946-0.50050.3105-0.2015-0.4443-0.25860.9605-0.59750.6812-0.1460.06830.92830.04940.32030.065-25.752-73.0744
303.4113-0.51731.88811.78991.14482.22750.22240.231-0.0919-0.06090.55540.3861-0.74550.2447-0.76610.4903-0.15190.05990.33940.05030.3997-3.5572-21.1808-55.8121
314.5417-0.3294-1.49663.73190.5885.34030.31030.43250.4664-0.4434-0.1814-0.1787-0.204-0.57790.17010.45180.00850.09490.52540.07080.4406-10.6464-15.0844-59.4629
327.4529-1.8147-1.06264.97723.59564.4364-0.1111.05190.415-0.90640.256-0.03320.4747-0.9227-0.14330.7401-0.16470.08260.50490.11330.4304-1.8447-13.8016-67.1007
337.8709-5.8045.71264.2461-4.19124.17250.27090.27921.1406-0.2248-0.5488-0.4551-0.39490.61070.33610.6595-0.07790.23510.43490.03780.7764-1.5194-8.0656-49.2798
340.8760.2257-0.04754.48512.38853.68890.15940.30230.0210.21710.3102-0.4910.5694-0.1659-0.41380.522-0.15590.09880.4597-0.06420.52353.5402-22.4402-58.1042
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 48 through 66 )
2X-RAY DIFFRACTION2chain 'A' and (resid 67 through 84 )
3X-RAY DIFFRACTION3chain 'A' and (resid 85 through 108 )
4X-RAY DIFFRACTION4chain 'A' and (resid 109 through 120 )
5X-RAY DIFFRACTION5chain 'A' and (resid 121 through 155 )
6X-RAY DIFFRACTION6chain 'B' and (resid 38 through 43 )
7X-RAY DIFFRACTION7chain 'B' and (resid 44 through 51 )
8X-RAY DIFFRACTION8chain 'B' and (resid 52 through 59 )
9X-RAY DIFFRACTION9chain 'B' and (resid 60 through 67 )
10X-RAY DIFFRACTION10chain 'B' and (resid 68 through 78 )
11X-RAY DIFFRACTION11chain 'B' and (resid 79 through 87 )
12X-RAY DIFFRACTION12chain 'B' and (resid 88 through 97 )
13X-RAY DIFFRACTION13chain 'B' and (resid 98 through 112 )
14X-RAY DIFFRACTION14chain 'B' and (resid 113 through 120 )
15X-RAY DIFFRACTION15chain 'B' and (resid 121 through 127 )
16X-RAY DIFFRACTION16chain 'B' and (resid 128 through 132 )
17X-RAY DIFFRACTION17chain 'B' and (resid 133 through 142 )
18X-RAY DIFFRACTION18chain 'C' and (resid 50 through 61 )
19X-RAY DIFFRACTION19chain 'C' and (resid 62 through 66 )
20X-RAY DIFFRACTION20chain 'C' and (resid 67 through 73 )
21X-RAY DIFFRACTION21chain 'C' and (resid 74 through 89 )
22X-RAY DIFFRACTION22chain 'C' and (resid 90 through 98 )
23X-RAY DIFFRACTION23chain 'C' and (resid 99 through 108 )
24X-RAY DIFFRACTION24chain 'C' and (resid 109 through 120 )
25X-RAY DIFFRACTION25chain 'C' and (resid 121 through 144 )
26X-RAY DIFFRACTION26chain 'C' and (resid 145 through 155 )
27X-RAY DIFFRACTION27chain 'D' and (resid 38 through 51 )
28X-RAY DIFFRACTION28chain 'D' and (resid 52 through 65 )
29X-RAY DIFFRACTION29chain 'D' and (resid 66 through 73 )
30X-RAY DIFFRACTION30chain 'D' and (resid 74 through 87 )
31X-RAY DIFFRACTION31chain 'D' and (resid 88 through 97 )
32X-RAY DIFFRACTION32chain 'D' and (resid 98 through 112 )
33X-RAY DIFFRACTION33chain 'D' and (resid 113 through 120 )
34X-RAY DIFFRACTION34chain 'D' and (resid 121 through 142 )

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