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- PDB-6wrw: Crystal structure of computationally designed protein 2DS25.5 in ... -

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Basic information

Entry
Database: PDB / ID: 6wrw
TitleCrystal structure of computationally designed protein 2DS25.5 in complex with the human Transferrin receptor ectodomain
Components
  • Computationally designed protein 2DS25.5
  • Transferrin receptor protein 1
KeywordsDE NOVO PROTEIN / Complex / Beta sheet / Receptor
Function / homology
Function and homology information


transferrin receptor activity / negative regulation of mitochondrial fusion / transferrin transport / Transferrin endocytosis and recycling / positive regulation of isotype switching / response to copper ion / response to iron ion / response to manganese ion / RND1 GTPase cycle / RND2 GTPase cycle ...transferrin receptor activity / negative regulation of mitochondrial fusion / transferrin transport / Transferrin endocytosis and recycling / positive regulation of isotype switching / response to copper ion / response to iron ion / response to manganese ion / RND1 GTPase cycle / RND2 GTPase cycle / RHOB GTPase cycle / Golgi Associated Vesicle Biogenesis / RHOJ GTPase cycle / RHOC GTPase cycle / RHOQ GTPase cycle / CDC42 GTPase cycle / RHOH GTPase cycle / transport across blood-brain barrier / RHOG GTPase cycle / RHOA GTPase cycle / RAC2 GTPase cycle / RAC3 GTPase cycle / positive regulation of bone resorption / response to retinoic acid / positive regulation of T cell proliferation / clathrin-coated pit / positive regulation of B cell proliferation / Hsp70 protein binding / RAC1 GTPase cycle / osteoclast differentiation / response to nutrient / cellular response to leukemia inhibitory factor / acute-phase response / clathrin-coated endocytic vesicle membrane / positive regulation of protein-containing complex assembly / HFE-transferrin receptor complex / receptor internalization / recycling endosome / positive regulation of protein localization to nucleus / recycling endosome membrane / double-stranded RNA binding / extracellular vesicle / melanosome / cellular response to xenobiotic stimulus / Cargo recognition for clathrin-mediated endocytosis / positive regulation of peptidyl-serine phosphorylation / Clathrin-mediated endocytosis / virus receptor activity / positive regulation of NF-kappaB transcription factor activity / iron ion transport / cytoplasmic vesicle / basolateral plasma membrane / positive regulation of canonical NF-kappaB signal transduction / intracellular iron ion homeostasis / early endosome / blood microparticle / endosome membrane / response to hypoxia / intracellular signal transduction / endosome / positive regulation of protein phosphorylation / external side of plasma membrane / intracellular membrane-bounded organelle / protein-containing complex binding / positive regulation of gene expression / negative regulation of apoptotic process / protein kinase binding / perinuclear region of cytoplasm / cell surface / protein homodimerization activity / RNA binding / extracellular space / extracellular exosome / extracellular region / identical protein binding / membrane / plasma membrane
Similarity search - Function
Transferrin receptor protein 1/2, PA domain / Transferrin receptor-like, dimerisation domain / Transferrin receptor-like, dimerisation domain superfamily / Glutamate carboxypeptidase 2-like / Transferrin receptor-like dimerisation domain / PA domain superfamily / PA domain / PA domain / Peptidase M28 / Peptidase family M28
Similarity search - Domain/homology
Transferrin receptor protein 1
Similarity search - Component
Biological speciesHomo sapiens (human)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.84 Å
AuthorsAbraham, J. / Coscia, A. / Olal, D. / Sahtoe, D.D. / Baker, D. / Clark, L.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute on Aging (NIH/NIA)5R01AG063845-02 United States
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2021
Title: Transferrin receptor targeting by de novo sheet extension.
Authors: Sahtoe, D.D. / Coscia, A. / Mustafaoglu, N. / Miller, L.M. / Olal, D. / Vulovic, I. / Yu, T.Y. / Goreshnik, I. / Lin, Y.R. / Clark, L. / Busch, F. / Stewart, L. / Wysocki, V.H. / Ingber, D.E. ...Authors: Sahtoe, D.D. / Coscia, A. / Mustafaoglu, N. / Miller, L.M. / Olal, D. / Vulovic, I. / Yu, T.Y. / Goreshnik, I. / Lin, Y.R. / Clark, L. / Busch, F. / Stewart, L. / Wysocki, V.H. / Ingber, D.E. / Abraham, J. / Baker, D.
History
DepositionApr 30, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 28, 2021Provider: repository / Type: Initial release
Revision 1.1Oct 18, 2023Group: Advisory / Data collection ...Advisory / Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_unobs_or_zero_occ_residues
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Transferrin receptor protein 1
B: Transferrin receptor protein 1
C: Computationally designed protein 2DS25.5
D: Computationally designed protein 2DS25.5
hetero molecules


Theoretical massNumber of molelcules
Total (without water)167,24112
Polymers163,9664
Non-polymers3,2758
Water00
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area12990 Å2
ΔGint-33 kcal/mol
Surface area57880 Å2
MethodPISA
Unit cell
Length a, b, c (Å)138.399, 138.399, 279.847
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number154
Space group name H-MP3221
Space group name HallP322"
Symmetry operation#1: x,y,z
#2: -y,x-y,z+2/3
#3: -x+y,-x,z+1/3
#4: x-y,-y,-z+1/3
#5: -x,-x+y,-z+2/3
#6: y,x,-z

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Components

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Protein , 2 types, 4 molecules ABCD

#1: Protein Transferrin receptor protein 1 / Trfr / T9 / p90


Mass: 71807.258 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TFRC / Production host: Escherichia coli (E. coli) / References: UniProt: P02786
#2: Protein Computationally designed protein 2DS25.5


Mass: 10175.582 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) synthetic construct (others) / Production host: Escherichia coli (E. coli)

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Sugars , 3 types, 6 molecules

#3: 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.: 4
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
#4: 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.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam 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
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}}LINUCSPDB-CARE
#5: Polysaccharide alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 910.823 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3/a4-b1_b4-c1_c3-d1_c6-e1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE

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Non-polymers , 1 types, 2 molecules

#6: Chemical ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Ca / Feature type: SUBJECT OF INVESTIGATION

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Details

Has ligand of interestY

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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: 4.72 Å3/Da / Density % sol: 73.93 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / Details: 0.1M BICINE pH 8.5, 12% (w/v) monomethyl ether 550

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.97918 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 19, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97918 Å / Relative weight: 1
ReflectionResolution: 2.77→200 Å / Num. obs: 72437 / % possible obs: 97.7 % / Redundancy: 4.03 % / Biso Wilson estimate: 86.09 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.087 / Rpim(I) all: 0.047 / Net I/σ(I): 11.38
Reflection shellResolution: 2.77→2.94 Å / Rmerge(I) obs: 0.147 / Mean I/σ(I) obs: 1.01 / Num. unique obs: 4459 / CC1/2: 0.338 / Rpim(I) all: 0.74 / % possible all: 97.8

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
XDSJan 26, 2018data processing
pointless1.11.7data reduction
Aimless0.5.32data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3KAS

3kas


Resolution: 2.84→69.2 Å / SU ML: 0.4952 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.1044
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2353 3632 5.03 %
Rwork0.2109 68612 -
obs0.2121 72244 97.66 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 88.92 Å2
Refinement stepCycle: LAST / Resolution: 2.84→69.2 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11544 0 213 0 11757
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.001812013
X-RAY DIFFRACTIONf_angle_d0.433716287
X-RAY DIFFRACTIONf_chiral_restr0.04141863
X-RAY DIFFRACTIONf_plane_restr0.00272068
X-RAY DIFFRACTIONf_dihedral_angle_d15.98444401
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.84-2.880.38271200.39152592X-RAY DIFFRACTION96.24
2.88-2.920.41081620.37612584X-RAY DIFFRACTION98.32
2.92-2.960.41661420.38542624X-RAY DIFFRACTION97.98
2.96-30.38251330.36012638X-RAY DIFFRACTION98.33
3-3.050.35011390.33262600X-RAY DIFFRACTION98.45
3.05-3.10.35871510.33812602X-RAY DIFFRACTION97.83
3.1-3.150.34731350.30162614X-RAY DIFFRACTION96.15
3.15-3.210.30251250.29352496X-RAY DIFFRACTION94.52
3.21-3.270.34331220.29382621X-RAY DIFFRACTION98
3.27-3.340.29691330.27282666X-RAY DIFFRACTION99.47
3.34-3.410.28131500.25292663X-RAY DIFFRACTION99.26
3.41-3.490.30881310.24182659X-RAY DIFFRACTION99.01
3.49-3.580.26091500.23982670X-RAY DIFFRACTION99.12
3.58-3.670.25971560.22782635X-RAY DIFFRACTION99.08
3.67-3.780.25831260.22192642X-RAY DIFFRACTION98.37
3.78-3.90.25281330.21242657X-RAY DIFFRACTION98.31
3.91-4.040.20791590.19792631X-RAY DIFFRACTION98.66
4.04-4.210.22341590.18382668X-RAY DIFFRACTION98.4
4.21-4.40.191410.17682597X-RAY DIFFRACTION97.33
4.4-4.630.21891620.15942544X-RAY DIFFRACTION94.38
4.63-4.920.18891350.15522582X-RAY DIFFRACTION94.67
4.92-5.30.20351530.17962697X-RAY DIFFRACTION99.13
5.3-5.830.23321090.19062722X-RAY DIFFRACTION98.71
5.83-6.680.21241290.20712721X-RAY DIFFRACTION97.9
6.68-8.410.20251200.17642714X-RAY DIFFRACTION96.79
8.41-69.20.18241570.18662773X-RAY DIFFRACTION94.94
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)
12.14963039289-1.11310840770.6131434398582.75985120220.1039533867190.723673195181-0.0242074822331-0.895046643472-0.05198664888550.08578306179250.2598608130360.4161437882010.256299011352-0.301746377955-0.259164018740.968909935621-0.04127237387010.3361612106711.067071537930.2027400242381.0442472722920.8500081992-41.996475494463.7614778688
20.371340564236-0.57487355422-0.154835669710.7986089002310.04327066117921.27857618102-0.08534947015150.130767463999-0.3484908119210.1922596414860.1089562314850.3668939498830.556913092188-0.277604279926-0.03676332352370.949213789342-0.169901663074-0.02202489816320.5371307240320.0884399177720.88365765497134.4290963023-52.318399504251.16725701
31.55603717261-0.8541336864570.03958065547120.925397117668-0.7919881911452.05545380551-0.239768826446-0.119817209949-0.09588392933970.05800763507980.500020170451-0.2208664091240.0265376732890.099680183376-0.2615479245280.8122183496410.0573256431886-0.1101674683590.675428363344-0.04716832587270.78300098667964.2204502791-46.845376274960.6572389079
42.57548332949-0.7472279511391.751902426942.04999647372-0.0665818211241.53149135937-0.0622973995482-0.3187280382373.28552084079E-50.2991263471360.142660829893-0.0272147529740.302124185614-0.106447565704-0.0485928434220.7339573748480.0364555311413-0.005512545141490.5720718006580.0338981617790.62903891029153.8619773119-45.899958192758.1090472113
51.005228351880.2004531548240.2492109516982.768119304280.6923736448932.02230688811-0.121453085349-0.380019191910.01910808780380.3462096692070.1825929101760.2985217576740.0933581807355-0.0362067494013-0.07247197481390.6324328582260.009112485811640.1110373165680.6669230406220.06796785513810.62686033780929.5320458851-33.267474838757.1604799143
63.36929210539-0.735406873722-0.9300675809431.66645510320.2685494230151.6266468525-0.434263148561-0.866453550853-0.2545827634820.8665325127630.21383350867-0.06486916654450.03142147564080.009346204835570.1150497589090.836231604688-0.06712973782450.08963387135890.873432791880.06589828295570.69865618972129.8787194254-37.214141021966.7046903391
71.77909934231.23740458358-1.06094913392.19945038762-0.06908521752861.86071984563-0.0756399617089-0.1210288398040.5415960623490.2607205541550.2127490908560.175966198936-0.276183066959-0.140649435405-0.1603026755880.6251163713120.06293259632370.0006946798343360.513093698429-0.1796881164430.70652715369337.5137627194-9.7512707631949.2311340033
82.252309912930.4971473490970.1494829018133.421569086080.7835751513541.47368694354-0.0440132175922-0.371337023850.01966807743290.2961731812320.0835684128163-0.2280515514350.0406035477060.167202412221-0.04531097592510.7314825372010.018715699314-0.04278563495820.543304073636-0.01215790617280.58922555224249.8516616434-22.173718094646.2881516929
92.479217790011.021247304151.024708662381.202036345040.2016827474221.596827034460.4754805189080.06998295618180.208643604763-0.237089212743-0.2016855727670.232196106893-0.0877603268936-0.0784827285356-0.2710281827960.7168132651380.0531162005670.002759537816690.518642124792-0.06817263322220.52841350768644.3008837693-10.517315964739.8922300137
100.234358005109-0.347859115621-0.2850817235661.500100860450.3446487016492.541175999510.1055713828860.7951269259480.300198466382-0.0228574298026-0.01651004795960.348832161098-0.900643497058-0.149974907223-0.05739862348270.9389542781160.0474183679152-0.2556867255060.5570651157010.1710327629060.96002242113128.6261949961-0.4051416469129.65538747946
111.93513466049-0.104091741973-0.2146886051580.699226532774-0.05408102450740.366305196303-0.05742542622230.1016056937280.624306508454-0.275718389180.1753522834940.139508712672-0.475166846861-0.0108758426258-0.2001271043370.982498627132-0.126383093094-0.02365960102810.4370099719020.01820202840060.84768001293947.7334819688-0.1164951697419.0499232126
122.13617848230.207831850008-1.521119974330.7364288260530.5787122627641.99296019148-0.2129808888960.302273087165-0.0141617754947-0.3415743133240.118685181695-0.109975577248-0.0324884332007-0.01337403436270.09443315554660.891567406161-0.124350450940.06282950781720.449968305325-0.002259408493270.59961145559160.6856541286-17.40438032578.18896506628
132.52779373740.278976595104-0.1972789244212.06732897738-0.1901674775531.34128670094-0.1546613430860.4357802300750.251385965606-0.4387157164390.1230709245630.287063895064-0.123979051733-0.1113933100590.04452098012970.721362556192-0.058788362036-0.1258817917180.4606771897350.06758123842350.65184641274133.4708766596-11.788063707212.8127130746
141.09509465452-0.01255083459180.4528211475213.22991764791-0.8141661986161.2485142979-0.1464761309640.309117923497-0.088067636455-0.3407352970370.1355663685860.3376936186610.183288985921-0.3096192721150.003739825083110.784329665458-0.0873640390122-0.1462475243340.581142936618-0.01189699293470.60012231640828.8063392121-27.294954293914.3605603385
153.84453879637-0.625446658538-0.2640860717823.58750875850.241738771112.16241878383-0.0726712644318-0.168960276313-0.3799565274320.1364023655830.1574202613611.049098656450.314137835707-0.674915375979-0.01437159329460.579368696684-0.0814727203692-0.04470551688620.639092326408-0.0402723620460.67416489001621.6121554166-33.666861149727.0190372684
162.563390864410.3172979557671.458504530052.607533423750.9169689370692.98341669219-0.2176192734920.100331106507-0.0158757359614-0.5564352992770.1783666529740.2154174665-0.08774875215240.27527445892-0.05093348474640.755749383689-0.06988457597580.01511554466250.404345603053-0.01687808206070.50443082270244.3973704862-34.573415516522.8043918536
173.54392511892-1.67438005883-1.254585561112.250417154982.152114850871.944772535820.305291268424-0.474125031453-0.437357470146-0.181554394371-0.1709253984980.65395560281-0.0738555360195-0.316765046068-0.05082721032450.696675780213-0.102676701054-0.05661429398890.5866644085280.1005354808810.60914374797232.8286433236-40.465961176530.8054539983
181.8945276584-2.20425301328-3.410051520752.67213168964.104026359196.304259035960.0271312179051.01490699325-1.43151846605-0.933681519898-0.4798196101020.338921756263-0.292398823351-0.3571008672230.3709113004021.494076449240.154683509736-0.3716971125971.09140905388-0.2980076157521.4116892301168.9685850912-78.293663458856.1952139942
195.082729640440.747519293550.7269208006093.25325696376-0.2973790256665.380239815840.09111340431940.653486165254-0.974710543644-0.602227272335-0.185498623812-0.6005782186180.04938789848490.5244431487480.06028409137141.147601089250.257460867926-0.1352404304760.920240335952-0.07326738202490.86333099049371.4282635818-68.013838840658.811013436
203.67553870974-0.344632322710.4138957258073.770819773671.005901498083.651069345370.17236553336-0.191767946208-1.39862991817-0.2846260897550.2131398983070.2179825079570.9636723219810.496415431615-0.5368570045341.258162000690.276656254666-0.1261578692590.777211692977-0.01864474238191.1121166709272.9516793676-72.879151623371.8652900391
218.79486949531.98833944994-1.987730220576.75324760741-0.5433089512576.85662270415-0.5659046855890.05140933938240.7417786480880.5550428964760.3597371790860.97075878720.555947768023-0.2639982663250.110531911440.9465525444010.0743049592639-0.1832339284210.985017340334-0.05570112405310.95068962984370.030575484-62.702124819974.7461871271
225.91966796410.734843934398-0.3659828881743.37552554581.452754376236.374561884120.183749177572-0.6130921664010.8792774027160.687773366597-0.231279719752-0.781335663431-0.287671827090.3224918586860.05574514677281.03389320077-0.184756478425-0.02414116470240.743714514797-0.04594738123470.79247354000486.8089650561-4.032449703124.15962841851
236.74850578354-0.540654518225-0.5989874762724.404990434110.2774335126642.871488744040.1669662920.5836058274140.7928160701480.296941600499-0.302562519551-0.7922552357650.337507268350.196677187208-0.1038788061240.94065235348-0.1897086985130.03007643546130.6511635914860.1645016850530.82298013077889.9833965139-6.62121814477-13.5093841639
247.70667561579-0.1258664947124.615918535283.459249748860.8473411276217.77910467833-0.1017716540020.1680628938050.895151200421-0.170742653433-0.372398110012-1.07191085113-1.63799738465-0.2219891831960.1262724737351.07498684492-0.182043765469-0.01456910166140.6164571974740.1042388567370.76959483327784.2711463015-0.505362006196-8.96326082242
251.78737156882.26150945794-1.923272530628.324257431912.169912623896.087865084450.1670607968020.1394956503550.935773220479-0.1356343026710.1164895693520.452936643065-0.7232220109050.174977238661-0.4270517448450.734535692652-0.103802058089-0.006533348992070.5110461585990.03846977299670.91736603446882.1169538557-3.05553289915-4.90467982054
263.811634240760.2837573736921.510765056566.59022798153-0.436786176972.13104560827-0.02500818050280.441215237746-0.3315396258070.02589333761930.2285283705450.7579198671810.5782756096910.330381241032-0.2613220960330.996435298843-0.2035581446890.105677795640.659866150992-0.06860773065190.63438388875677.8335540405-10.9169394597-11.2240487525
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 121 through 159 )
2X-RAY DIFFRACTION2chain 'A' and (resid 160 through 204 )
3X-RAY DIFFRACTION3chain 'A' and (resid 205 through 253 )
4X-RAY DIFFRACTION4chain 'A' and (resid 254 through 393 )
5X-RAY DIFFRACTION5chain 'A' and (resid 394 through 558 )
6X-RAY DIFFRACTION6chain 'A' and (resid 559 through 610 )
7X-RAY DIFFRACTION7chain 'A' and (resid 611 through 678 )
8X-RAY DIFFRACTION8chain 'A' and (resid 679 through 727 )
9X-RAY DIFFRACTION9chain 'A' and (resid 728 through 759 )
10X-RAY DIFFRACTION10chain 'B' and (resid 121 through 159 )
11X-RAY DIFFRACTION11chain 'B' and (resid 160 through 204 )
12X-RAY DIFFRACTION12chain 'B' and (resid 205 through 393 )
13X-RAY DIFFRACTION13chain 'B' and (resid 394 through 582 )
14X-RAY DIFFRACTION14chain 'B' and (resid 583 through 634 )
15X-RAY DIFFRACTION15chain 'B' and (resid 635 through 679 )
16X-RAY DIFFRACTION16chain 'B' and (resid 680 through 728 )
17X-RAY DIFFRACTION17chain 'B' and (resid 729 through 760 )
18X-RAY DIFFRACTION18chain 'C' and (resid 1 through 14 )
19X-RAY DIFFRACTION19chain 'C' and (resid 15 through 40 )
20X-RAY DIFFRACTION20chain 'C' and (resid 41 through 73 )
21X-RAY DIFFRACTION21chain 'C' and (resid 74 through 88 )
22X-RAY DIFFRACTION22chain 'D' and (resid 1 through 40 )
23X-RAY DIFFRACTION23chain 'D' and (resid 41 through 54 )
24X-RAY DIFFRACTION24chain 'D' and (resid 55 through 63 )
25X-RAY DIFFRACTION25chain 'D' and (resid 64 through 73 )
26X-RAY DIFFRACTION26chain 'D' and (resid 74 through 88 )

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