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- PDB-6ymq: TREM2 extracellular domain (19-131) in complex with single-chain ... -

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Basic information

Entry
Database: PDB / ID: 6ymq
TitleTREM2 extracellular domain (19-131) in complex with single-chain variable 4 (scFv-4)
Components
  • Single-chain variable 4
  • Triggering receptor expressed on myeloid cells 2
KeywordsIMMUNE SYSTEM / scFv / complex / receptor / Alzheimer's
Function / homology
Function and homology information


positive regulation of high-density lipoprotein particle clearance / regulation of toll-like receptor 6 signaling pathway / positive regulation of complement activation, classical pathway / detection of lipoteichoic acid / regulation of macrophage inflammatory protein 1 alpha production / regulation of hippocampal neuron apoptotic process / regulation of plasma membrane bounded cell projection organization / positive regulation of C-C chemokine receptor CCR7 signaling pathway / excitatory synapse pruning / positive regulation of CD40 signaling pathway ...positive regulation of high-density lipoprotein particle clearance / regulation of toll-like receptor 6 signaling pathway / positive regulation of complement activation, classical pathway / detection of lipoteichoic acid / regulation of macrophage inflammatory protein 1 alpha production / regulation of hippocampal neuron apoptotic process / regulation of plasma membrane bounded cell projection organization / positive regulation of C-C chemokine receptor CCR7 signaling pathway / excitatory synapse pruning / positive regulation of CD40 signaling pathway / negative regulation of triglyceride storage / negative regulation of cell activation / detection of peptidoglycan / positive regulation of macrophage fusion / import into cell / sulfatide binding / negative regulation of macrophage colony-stimulating factor signaling pathway / positive regulation of antigen processing and presentation of peptide antigen via MHC class II / negative regulation of fat cell proliferation / lipoteichoic acid binding / positive regulation of engulfment of apoptotic cell / positive regulation of establishment of protein localization / positive regulation of synapse pruning / microglial cell activation involved in immune response / negative regulation of toll-like receptor 2 signaling pathway / negative regulation of autophagic cell death / respiratory burst after phagocytosis / negative regulation of astrocyte activation / positive regulation of CAMKK-AMPK signaling cascade / semaphorin receptor binding / positive regulation of low-density lipoprotein particle clearance / positive regulation of microglial cell migration / detection of lipopolysaccharide / apolipoprotein A-I binding / Other semaphorin interactions / T cell activation via T cell receptor contact with antigen bound to MHC molecule on antigen presenting cell / CXCL12-activated CXCR4 signaling pathway / negative regulation of toll-like receptor 4 signaling pathway / negative regulation of neuroinflammatory response / high-density lipoprotein particle binding / negative regulation of p38MAPK cascade / very-low-density lipoprotein particle binding / cellular response to oxidised low-density lipoprotein particle stimulus / negative regulation of glial cell apoptotic process / complement-mediated synapse pruning / dendritic cell differentiation / microglial cell proliferation / semaphorin receptor complex / positive regulation of microglial cell activation / phagocytosis, recognition / amyloid-beta clearance by cellular catabolic process / negative regulation of NLRP3 inflammasome complex assembly / low-density lipoprotein particle binding / cellular response to lipoprotein particle stimulus / regulation of TOR signaling / regulation of resting membrane potential / positive regulation of phagocytosis, engulfment / cellular response to peptidoglycan / peptidoglycan binding / regulation of oxidative stress-induced neuron intrinsic apoptotic signaling pathway / positive regulation of chemotaxis / positive regulation of amyloid-beta clearance / positive regulation of potassium ion transport / semaphorin receptor activity / phosphatidylethanolamine binding / positive regulation of proteasomal protein catabolic process / positive regulation of osteoclast differentiation / negative regulation of amyloid fibril formation / cellular response to lipid / kinase activator activity / regulation of interleukin-6 production / dendritic spine maintenance / apoptotic cell clearance / negative regulation of interleukin-1 beta production / phagocytosis, engulfment / regulation of innate immune response / phosphatidylserine binding / pyroptotic inflammatory response / regulation of cytokine production involved in inflammatory response / negative regulation of cholesterol storage / cellular response to lipoteichoic acid / lipid homeostasis / amyloid-beta clearance / lipoprotein particle binding / positive regulation of ATP biosynthetic process / positive regulation of intracellular signal transduction / humoral immune response / regulation of lipid metabolic process / positive regulation of interleukin-10 production / apolipoprotein binding / plasma membrane raft / negative regulation of tumor necrosis factor production / social behavior / positive regulation of cholesterol efflux / positive regulation of TOR signaling / response to axon injury / negative regulation of canonical NF-kappaB signal transduction / negative regulation of cytokine production involved in inflammatory response / astrocyte activation / negative regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
Similarity search - Function
: / Immunoglobulin V-set domain / Immunoglobulin V-set domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold
Similarity search - Domain/homology
Triggering receptor expressed on myeloid cells 2
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.07 Å
AuthorsSzykowska, A. / Preger, C. / Scacioc, A. / Mukhopadhyay, S.M.M. / McKinley, G. / Graslund, S. / Wigren, E. / Persson, H. / von Delft, F. / Arrowsmith, C.H. ...Szykowska, A. / Preger, C. / Scacioc, A. / Mukhopadhyay, S.M.M. / McKinley, G. / Graslund, S. / Wigren, E. / Persson, H. / von Delft, F. / Arrowsmith, C.H. / Edwards, A. / Bountra, C. / Di Daniel, E. / Davis, J.B. / Burgess-Brown, N. / Bullock, A.
Citation
Journal: Structure / Year: 2021
Title: Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Authors: Szykowska, A. / Chen, Y. / Smith, T.B. / Preger, C. / Yang, J. / Qian, D. / Mukhopadhyay, S.M. / Wigren, E. / Neame, S.J. / Graslund, S. / Persson, H. / Atkinson, P.J. / Di Daniel, E. / ...Authors: Szykowska, A. / Chen, Y. / Smith, T.B. / Preger, C. / Yang, J. / Qian, D. / Mukhopadhyay, S.M. / Wigren, E. / Neame, S.J. / Graslund, S. / Persson, H. / Atkinson, P.J. / Di Daniel, E. / Mead, E. / Wang, J. / Davis, J.B. / Burgess-Brown, N.A. / Bullock, A.N.
#1: Journal: Biorxiv / Year: 2021
Title: Selection and structural characterisation of anti-TREM2 scFvs that reduce levels of shed ectodomain
Authors: Szykowska, A. / Chen, Y. / Smith, T.B. / Preger, C. / Yang, J. / Qian, D. / Mukhopadhyay, S. / Wigren, E. / Neame, S.J. / Graslund, S. / Persson, H. / Atkinson, P.J. / Di Daniel, E. / Mead, ...Authors: Szykowska, A. / Chen, Y. / Smith, T.B. / Preger, C. / Yang, J. / Qian, D. / Mukhopadhyay, S. / Wigren, E. / Neame, S.J. / Graslund, S. / Persson, H. / Atkinson, P.J. / Di Daniel, E. / Mead, E. / Wang, J. / Davis, J.B. / Burgess-Brown, N.A. / Bullock, A.N.
History
DepositionApr 9, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Feb 17, 2021Provider: repository / Type: Initial release
Revision 1.1Jul 21, 2021Group: Database references / Category: citation / citation_author
Revision 1.2Nov 17, 2021Group: Data collection / Database references
Category: citation / database_2 ...citation / database_2 / diffrn_source / pdbx_database_proc
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _diffrn_source.pdbx_synchrotron_site
Revision 2.0Dec 21, 2022Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Database references / Derived calculations / Source and taxonomy / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / citation / diffrn_source / entity / entity_src_gen / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_poly_seq_scheme / pdbx_struct_assembly_gen / pdbx_unobs_or_zero_occ_atoms / pdbx_unobs_or_zero_occ_residues / pdbx_validate_polymer_linkage / struct_asym / struct_conn
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.group_PDB / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.label_seq_id / _atom_site.pdbx_formal_charge / _atom_site.type_symbol / _atom_site_anisotrop.id / _atom_site_anisotrop.pdbx_label_asym_id / _citation.journal_id_ISSN / _citation.page_last / _diffrn_source.pdbx_synchrotron_site / _entity_src_gen.gene_src_common_name / _pdbx_poly_seq_scheme.auth_mon_id / _pdbx_poly_seq_scheme.auth_seq_num / _pdbx_poly_seq_scheme.pdb_mon_id / _pdbx_struct_assembly_gen.asym_id_list / _struct_conn.ptnr2_label_asym_id
Revision 2.1Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 2.2Nov 20, 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: Single-chain variable 4
B: Single-chain variable 4
C: Single-chain variable 4
D: Single-chain variable 4
G: Triggering receptor expressed on myeloid cells 2
H: Triggering receptor expressed on myeloid cells 2
I: Triggering receptor expressed on myeloid cells 2
J: Triggering receptor expressed on myeloid cells 2
K: Triggering receptor expressed on myeloid cells 2
D000: Triggering receptor expressed on myeloid cells 2
E: Single-chain variable 4
F: Single-chain variable 4
hetero molecules


Theoretical massNumber of molelcules
Total (without water)243,32219
Polymers241,87712
Non-polymers1,4457
Water23413
1
A: Single-chain variable 4
G: Triggering receptor expressed on myeloid cells 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,5343
Polymers40,3132
Non-polymers2211
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1700 Å2
ΔGint-12 kcal/mol
Surface area15040 Å2
MethodPISA
2
B: Single-chain variable 4
I: Triggering receptor expressed on myeloid cells 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,5343
Polymers40,3132
Non-polymers2211
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1750 Å2
ΔGint-10 kcal/mol
Surface area15070 Å2
MethodPISA
3
C: Single-chain variable 4
J: Triggering receptor expressed on myeloid cells 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,6524
Polymers40,3132
Non-polymers3392
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1960 Å2
ΔGint-8 kcal/mol
Surface area15040 Å2
MethodPISA
4
D: Single-chain variable 4
H: Triggering receptor expressed on myeloid cells 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,5343
Polymers40,3132
Non-polymers2211
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2260 Å2
ΔGint-17 kcal/mol
Surface area15010 Å2
MethodPISA
5
K: Triggering receptor expressed on myeloid cells 2
F: Single-chain variable 4
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,5343
Polymers40,3132
Non-polymers2211
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1810 Å2
ΔGint-6 kcal/mol
Surface area15100 Å2
MethodPISA
6
D000: Triggering receptor expressed on myeloid cells 2
E: Single-chain variable 4
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,5343
Polymers40,3132
Non-polymers2211
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2000 Å2
ΔGint-8 kcal/mol
Surface area15500 Å2
MethodPISA
Unit cell
Length a, b, c (Å)167.510, 180.770, 125.510
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number18
Space group name H-MP21212
Space group name HallP22ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x+1/2,y+1/2,-z
#4: -x,-y,z

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Components

#1: Antibody
Single-chain variable 4


Mass: 26244.982 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Spodoptera frugiperda (fall armyworm)
#2: Protein
Triggering receptor expressed on myeloid cells 2 / TREM-2 / Triggering receptor expressed on monocytes 2


Mass: 14067.833 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Details: N-Acetylglucosamine NAG / Source: (gene. exp.) Homo sapiens (human) / Gene: TREM2 / Plasmid: pHL-sec / Details (production host): secretion / Cell (production host): Expi293F / Production host: Homo sapiens (human) / References: UniProt: Q9NZC2
#3: 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.: 6
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
#4: Chemical ChemComp-MPD / (4S)-2-METHYL-2,4-PENTANEDIOL


Mass: 118.174 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C6H14O2 / Comment: precipitant*YM
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 13 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN
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: 3.92 Å3/Da / Density % sol: 68.64 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, sitting drop
Details: 39% MPD -- 0.2M ammonium acetate -- 0.1M citrate pH 5.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I24 / Wavelength: 0.9688 Å
DetectorType: RAYONIX MX-300 / Detector: CCD / Date: May 12, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9688 Å / Relative weight: 1
ReflectionResolution: 3.07→83.75 Å / Num. obs: 71788 / % possible obs: 99.83 % / Redundancy: 6.4 % / Biso Wilson estimate: 69.7 Å2 / CC1/2: 0.991 / Rpim(I) all: 0.119 / Rrim(I) all: 0.3059 / Net I/σ(I): 6.83
Reflection shellResolution: 3.07→3.18 Å / Redundancy: 6.6 % / Num. unique obs: 7077 / CC1/2: 0.558 / % possible all: 99.9

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
PHASER1.16_3549phasing
xia2data processing
Cootmodel building
DIALSdata reduction
DIALSdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6g8r 5ud7

6g8r

5ud7


Resolution: 3.07→75.99 Å / SU ML: 0.4386 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 31.3305
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2878 3515 4.9 %
Rwork0.2735 68200 -
obs0.2742 71715 99.84 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 88.14 Å2
Refinement stepCycle: LAST / Resolution: 3.07→75.99 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15649 0 68 13 15730
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.001216085
X-RAY DIFFRACTIONf_angle_d0.391521846
X-RAY DIFFRACTIONf_chiral_restr0.03752381
X-RAY DIFFRACTIONf_plane_restr0.00282781
X-RAY DIFFRACTIONf_dihedral_angle_d12.24525605
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.07-3.110.45641370.40722703X-RAY DIFFRACTION99.93
3.11-3.160.40881460.38612669X-RAY DIFFRACTION99.89
3.16-3.20.35471310.37412707X-RAY DIFFRACTION99.89
3.2-3.250.3561370.36442676X-RAY DIFFRACTION99.75
3.25-3.310.35881340.34552703X-RAY DIFFRACTION99.79
3.31-3.360.35861560.34052673X-RAY DIFFRACTION99.82
3.36-3.430.34481270.33052745X-RAY DIFFRACTION99.93
3.43-3.490.3311290.31852717X-RAY DIFFRACTION99.72
3.49-3.560.31091210.30692693X-RAY DIFFRACTION99.82
3.56-3.640.32421280.3192721X-RAY DIFFRACTION99.89
3.64-3.720.33761510.3142695X-RAY DIFFRACTION99.86
3.72-3.820.3061530.29042698X-RAY DIFFRACTION99.96
3.82-3.920.29241520.28542700X-RAY DIFFRACTION99.82
3.92-4.040.31541470.28332696X-RAY DIFFRACTION99.89
4.04-4.170.26591360.26482726X-RAY DIFFRACTION99.93
4.17-4.320.29211240.24382753X-RAY DIFFRACTION99.97
4.32-4.490.24681550.24022701X-RAY DIFFRACTION99.93
4.49-4.690.24311580.22892708X-RAY DIFFRACTION99.97
4.69-4.940.22741300.21862739X-RAY DIFFRACTION99.93
4.94-5.250.24721420.22432766X-RAY DIFFRACTION99.97
5.25-5.650.31981340.25712749X-RAY DIFFRACTION99.97
5.65-6.220.25291430.25132757X-RAY DIFFRACTION99.93
6.22-7.120.27811290.26092794X-RAY DIFFRACTION100
7.12-8.970.26821650.24572796X-RAY DIFFRACTION100
8.97-83.750.23761500.25262915X-RAY DIFFRACTION98.55
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)
10.67073760935-0.02203019031060.2754418650871.55132287393-0.459946619947.223510841750.0385083922535-0.133592469344-0.03055747330410.0927303257043-0.109099574130.0892270237759-0.582585871064-0.1399571200910.08858140353050.40493868259-0.009818336252820.0577020768960.45502311517-0.0396101287610.49834917919876.509649375117.0537591217113.222779361
22.49126106376-0.356319774858-1.116907631381.079773581240.3531619470017.97780724380.0958282529598-0.0942477042031-0.06599151686930.02118474507640.0347374097678-0.00373949245937-0.2164252809160.232369912807-0.1404635572470.286100833301-0.0544055558404-0.03125988626450.4486113399440.02791703551940.51870648441367.79598242485.3535266730625.8750014767
33.983255232120.1233796280833.572640276283.422137992711.351106591755.552137140060.1602560882330.350171482668-0.311972086880.423701742710.0973619268583-0.1450744895660.1117481335310.365786755816-0.2802924700870.4935421694620.0206497881130.1332515256730.38689462285-0.04305650283970.48920635348287.482655281423.255980758825.8276197893
41.12674232441-0.555788990566-0.05517796905260.6609855751970.02530481606711.69265305781-0.294280784039-0.1581999308820.577147734434-1.194536782010.1714644964270.22667265841-0.437832654716-0.1929973051610.1912487569181.89207534457-0.1550776681770.1572387603430.702525988353-0.03276142546831.1976277145780.510298892177.397403448447.387637565
50.458622635582-0.505196771499-0.4592006696361.60492212158-0.08176288903090.748185086497-0.07197401136461.31137654730.3657292395820.216826184002-0.2443786501940.445327074182-0.1797992868450.008744398928890.3021081976930.64533282541-0.0462552988671-0.0390908695611.525800710440.2810788279391.1499686082611.5110760349-0.047047342776942.0743557404
62.21089758641-0.1717274401551.833651930141.912880675590.6607590183133.39064384643-0.206672780099-0.2856701807730.05205606828580.2392124599490.1827221035530.1559513719060.158852977127-0.7498959801570.03206680588480.388336586118-0.1236756094050.01447933887320.7077427110710.06945210155990.48360312109766.5361900006-7.09047268424112.938923855
72.83488354544-0.02166832187560.694420345681.35493913979-0.5989003904471.81652825459-0.0250129172792-0.2153218739160.08565719313920.2460412436180.1893312529340.150279590769-0.469261584843-1.28863474625-0.1238939886150.5571110036780.105507984389-0.01957947774131.141550732230.1193998103090.47479492704950.86641665116.7623666152251.9344144654
82.591637634240.726516425003-0.3648561239041.889468610330.4963525902780.7132035753940.086001066317-0.00541586087117-0.316200955909-0.114528604701-0.06736442598970.3452297527250.505377777172-1.438800147430.01177759759110.584852099484-0.36925109422-0.1028119745421.266887493960.1225162690780.61891088616152.9844177273-13.499972448486.0551306328
91.69789201707-0.4971055587860.4887114557643.443989596690.3672875331051.45004794082-0.274094650877-0.1104251682170.3154916812250.06598880094380.09716522780970.330162364162-1.77411933751-0.7180999924770.1380422398891.336024591060.348549997267-0.01431808562670.6936819930530.03133335867580.56711290660769.435270446631.847536085887.2846377509
100.6268695562220.3770388829370.3195413908882.04858501539-0.4857879694870.801009060615-0.0377483932481-0.17957533690.1364863848850.419437848087-0.0377905627838-0.17140474455-1.423203871760.1447815778870.07106562839721.57433607353-0.229874163921-0.01180267737730.4881172088820.01051886439140.55117154563989.367033914437.407678337253.3795888843
112.22330457815-0.2339876253720.62460621190.86455625177-0.1265386377391.05445311071-0.02132129712030.279395566386-0.0728693891095-0.2607416197550.2459143591610.364178459313-0.321766003901-1.655123866280.09101299731160.3399800527570.0989772934286-0.1962184794712.518684281870.4009366557020.73653728391227.89865674474.9280617677316.3318865122
121.526938748590.129700850629-0.1886966418271.92501960252-0.1477736763240.788813682031-0.04069514074810.4841065647880.2685933674950.846811324262-0.328068102659-0.24535509099-1.438369019880.1788046699790.02727390648432.65502701059-0.499052739450.01457260262750.324966098210.2257742228290.71154732690287.494974450963.88276387619.9166684702
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(chain 'J' and resid 20 through 131)
2X-RAY DIFFRACTION2(chain 'G' and resid 20 through 131)
3X-RAY DIFFRACTION3(chain 'H' and resid 20 through 131)
4X-RAY DIFFRACTION4(chain 'K' and resid 20 through 131)
5X-RAY DIFFRACTION5(chain 'L' and resid 20 through 131)
6X-RAY DIFFRACTION6(chain 'I' and resid 20 through 131)
7X-RAY DIFFRACTION7(chain 'A' and resid 3 through 245)
8X-RAY DIFFRACTION8(chain 'B' and resid 3 through 245)
9X-RAY DIFFRACTION9(chain 'C' and resid 3 through 245)
10X-RAY DIFFRACTION10(chain 'D' and resid 3 through 245)
11X-RAY DIFFRACTION11(chain 'E' and resid 3 through 245)
12X-RAY DIFFRACTION12(chain 'F' and resid 3 through 245)

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