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- PDB-6wrx: Crystal structure of computationally designed protein 2DS25.1 in ... -

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Basic information

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


transferrin receptor activity / postsynaptic recycling endosome membrane / negative regulation of mitochondrial fusion / Transferrin endocytosis and recycling / positive regulation of isotype switching / response to manganese ion / Differentiation of Keratinocytes in Interfollicular Epidermis in Mammalian Skin / response to iron ion / RND1 GTPase cycle / RND2 GTPase cycle ...transferrin receptor activity / postsynaptic recycling endosome membrane / negative regulation of mitochondrial fusion / Transferrin endocytosis and recycling / positive regulation of isotype switching / response to manganese ion / Differentiation of Keratinocytes in Interfollicular Epidermis in Mammalian Skin / response to iron ion / RND1 GTPase cycle / RND2 GTPase cycle / response to copper ion / RHOB GTPase cycle / Golgi Associated Vesicle Biogenesis / RHOC GTPase cycle / RHOJ GTPase cycle / RHOQ GTPase cycle / CDC42 GTPase cycle / RHOH GTPase cycle / RHOG GTPase cycle / RHOA GTPase cycle / RAC2 GTPase cycle / RAC3 GTPase cycle / response to retinoic acid / regulation of postsynaptic membrane neurotransmitter receptor levels / transport across blood-brain barrier / positive regulation of B cell proliferation / clathrin-coated pit / positive regulation of T cell proliferation / RAC1 GTPase cycle / Hsp70 protein binding / response to nutrient / osteoclast differentiation / cellular response to leukemia inhibitory factor / transferrin transport / acute-phase response / positive regulation of protein-containing complex assembly / iron ion transport / clathrin-coated endocytic vesicle membrane / HFE-transferrin receptor complex / recycling endosome / receptor internalization / multicellular organismal-level iron ion homeostasis / positive regulation of protein localization to nucleus / cellular response to xenobiotic stimulus / recycling endosome membrane / melanosome / Cargo recognition for clathrin-mediated endocytosis / extracellular vesicle / double-stranded RNA binding / Clathrin-mediated endocytosis / virus receptor activity / cytoplasmic vesicle / blood microparticle / basolateral plasma membrane / intracellular iron ion homeostasis / early endosome / response to hypoxia / positive regulation of canonical NF-kappaB signal transduction / endosome / endosome membrane / intracellular signal transduction / external side of plasma membrane / intracellular membrane-bounded organelle / positive regulation of gene expression / protein kinase binding / negative regulation of apoptotic process / protein-containing complex binding / perinuclear region of cytoplasm / glutamatergic synapse / cell surface / protein homodimerization activity / extracellular space / RNA binding / 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
alpha-D-mannopyranose / Transferrin receptor protein 1
Similarity search - Component
Biological speciesHomo sapiens (human)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.07 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: 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
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2Oct 9, 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: Transferrin receptor protein 1
B: Transferrin receptor protein 1
C: Computationally designed protein 2DS25.1
D: Computationally designed protein 2DS25.1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)167,01812
Polymers164,1904
Non-polymers2,8288
Water00
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area12400 Å2
ΔGint-36 kcal/mol
Surface area57110 Å2
Unit cell
Length a, b, c (Å)137.425, 137.425, 280.158
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
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
12
22

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain 'A' and (resid 121 through 759 or resid 803 through 804))A121 - 759
121(chain 'A' and (resid 121 through 759 or resid 803 through 804))A803 - 804
211(chain 'B' and (resid 121 through 668 or (resid 669...B121 - 759
221(chain 'B' and (resid 121 through 668 or (resid 669...B810 - 811
112chain 'C'C1 - 88
212chain 'D'D1 - 88

NCS ensembles :
ID
1
2

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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 2DS25.1


Mass: 10287.801 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 , 5 types, 6 molecules

#3: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 2
Source method: 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
#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.: 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
#5: Polysaccharide alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#7: 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
#8: Sugar ChemComp-MAN / alpha-D-mannopyranose / alpha-D-mannose / D-mannose / mannose


Type: D-saccharide, alpha linking / Mass: 180.156 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Formula: C6H12O6
IdentifierTypeProgram
DManpaCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
a-D-mannopyranoseCOMMON NAMEGMML 1.0
a-D-ManpIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
ManSNFG CARBOHYDRATE SYMBOLGMML 1.0

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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

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Details

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: 4.65 Å3/Da / Density % sol: 73.56 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5
Details: 0.1M HEPES pH 7.5, 12% (w/v) polyethylene glycol 3350

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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: 3.067→200 Å / Num. obs: 58129 / % possible obs: 99.8 % / Redundancy: 5.4 % / Biso Wilson estimate: 101.53 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.131 / Rpim(I) all: 0.062 / Net I/σ(I): 9.6
Reflection shellResolution: 3.07→3.25 Å / Rmerge(I) obs: 0.156 / Mean I/σ(I) obs: 1 / Num. unique obs: 4417 / CC1/2: 0.267 / Rpim(I) all: 0.98 / % possible all: 99.5

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Processing

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

3kas


Resolution: 3.07→93.39 Å / SU ML: 0.4141 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 24.6176
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2254 2805 4.87 %
Rwork0.193 54740 -
obs0.1945 57545 98.9 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 104.35 Å2
Refinement stepCycle: LAST / Resolution: 3.07→93.39 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11573 0 181 0 11754
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.001812010
X-RAY DIFFRACTIONf_angle_d0.4516277
X-RAY DIFFRACTIONf_chiral_restr0.04251852
X-RAY DIFFRACTIONf_plane_restr0.00262068
X-RAY DIFFRACTIONf_dihedral_angle_d13.95744417
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.07-3.120.3693920.34282390X-RAY DIFFRACTION85.26
3.12-3.180.35081110.31872615X-RAY DIFFRACTION96.6
3.18-3.240.35871790.31142672X-RAY DIFFRACTION99.58
3.24-3.30.33211460.32727X-RAY DIFFRACTION99.83
3.3-3.380.35351530.29212708X-RAY DIFFRACTION99.93
3.38-3.450.27591350.27742742X-RAY DIFFRACTION99.97
3.45-3.540.33311340.26252747X-RAY DIFFRACTION99.9
3.54-3.640.2551530.24612718X-RAY DIFFRACTION99.83
3.64-3.740.26091630.22582708X-RAY DIFFRACTION99.93
3.74-3.860.23181210.2132773X-RAY DIFFRACTION100
3.86-40.25071490.20982752X-RAY DIFFRACTION100
4-4.160.25131580.18482745X-RAY DIFFRACTION99.9
4.16-4.350.18451530.17492696X-RAY DIFFRACTION100
4.35-4.580.17551500.15192802X-RAY DIFFRACTION100
4.58-4.870.17211090.1422775X-RAY DIFFRACTION99.86
4.87-5.240.18551450.15772770X-RAY DIFFRACTION99.79
5.25-5.770.21971510.17372774X-RAY DIFFRACTION99.46
5.77-6.610.22141440.19662812X-RAY DIFFRACTION99.97
6.61-8.320.18891460.17222830X-RAY DIFFRACTION99.83
8.33-93.390.19481130.16592984X-RAY DIFFRACTION98.38
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)
13.143813917120.7646666783050.6447268262590.569387790142-0.09205119001360.9608956281350.441506188058-0.661116991296-0.882917722580.279132002308-0.1081661818910.008219143669970.608431937525-0.075894641809-0.3259679400521.073486091760.0320367384937-0.1236554409190.7879473509070.1772139685961.0851061934454.3598812985-0.11661180335410.242736112
27.540781404471.52528324622.553194091712.403489083170.9657772298064.376746582050.0599184878993-0.502562245620.186312855041-0.1916889921560.0468005226838-0.309767188742-0.7188262593830.261949311316-0.103985618740.843778283432-0.04643613799130.01173042230520.765751681061-0.01695692663760.74145240015472.256446689331.115512206714.2337083937
32.566449683470.07786188322820.9931186097792.210941938571.205603849382.415289920550.0424791274285-0.301213888998-0.07847252820370.183332620276-0.0610478084826-0.0672159635086-0.1020337828630.244047459140.01127247348440.818276085260.0140375449638-0.05646694701560.7948293353650.0705863562180.73638429126566.28382971822.738292675711.5356922106
42.209886202-0.7643175714830.244781214742.09903934798-0.03558479303471.677123755970.188284977467-0.596486285714-0.3571090177550.351674278137-0.1383700420910.1695377427790.281846447507-0.181977552113-0.05396501450960.915200669465-0.127528202999-0.03473515128690.8924729042150.1708537745510.79310742202243.88651638547.8980667307112.8768731495
51.823432035740.431348755661-0.07912550563216.77055554648-1.174759264792.229263198670.185925387497-0.5733464720020.1379051865120.3643928312080.04845071134510.917249394219-0.0375167800077-0.48123828123-0.1808709673540.6650160681040.009613466242180.1919813492191.01505103689-0.1051954376520.82974660650327.092269121827.21497227222.66335924647
64.025830112340.555100843704-0.5400281484226.68751686165-1.340973289013.02446964060.0953318300137-0.355959941130.1981701600920.5024301226820.1099521301030.135813818635-0.1269912881140.0842500456379-0.1812613063120.6855581514110.0740319558664-0.005990692776470.806400414325-0.04304754534150.68069873983144.293356698832.283940254-0.294405670106
70.5431793936440.6825677598360.8080740018723.429339125651.188412934081.85077371295-0.1498788555020.215514515187-0.0611930089497-0.2282479935070.2507785768090.1010417296810.0434854135099-0.478283714323-0.09384222009110.7160609007660.1911851601860.1046750651790.874102018969-0.04886990515780.62840161918330.529868454232.2533717952-6.75781595866
81.275124344381.179445952110.06191867956667.134250048-0.2622352394621.91020172137-0.3728138513180.4495250511970.0786394692629-0.7950787122030.691408673750.9128059464250.0419867691937-0.461517485677-0.1877782935430.7147378297370.140815483108-0.2248893387541.03803320008-0.1183999000271.1355029737614.433152617324.3088797305-36.6963570518
91.285583308290.599893105490.1554729793251.15383418603-0.7998498745881.211713434530.1274035697740.04199400960670.145198760803-0.0855607997406-0.02183720387910.49605664468-0.188169531638-0.482927652098-0.2125987344590.7473840671670.3351542177710.03503427429340.884022967173-0.0835007038510.93397992928923.911094710841.1221820122-27.544987443
102.522964516071.79403216089-0.4720515858223.17542980531-1.054668161162.39881474535-0.04068574299990.1215095428950.0704087228087-0.2461503908570.11559171285-0.2713461958570.339540477980.1547298945520.1269438670450.8217332568390.2356481225010.05105828457240.7619037511120.03048545679360.70925284206250.818942073644.5516199016-40.5448209284
111.778105627990.636271206685-0.8999072846642.52625956209-0.8193385156241.92094143307-0.02670708367990.1908625581540.00992828054427-0.390350228797-0.205831231379-0.0896251528699-0.1760777652710.02432908959740.05440407637430.7401705314640.2708204600420.03358807079290.784992826698-0.0351026349830.77720157399641.876773956142.1056791616-36.4830874687
122.477502726431.12904915885-0.6739979278742.28693728371-0.2379893836630.5285010953720.1224244260830.18854225973-0.025965551812-0.161530587226-0.166305866070.271977450531-0.0125702412081-0.207734561165-0.03985750272390.7048211585230.18168616389-0.1360887782180.801479030216-0.00308143816610.70652392349828.779236600133.744982985-32.8893948131
131.69945480121-0.259479434036-0.1964283059392.666858117070.09803179543171.545657502690.1062687335370.113491386841-0.211590248114-0.449552095118-0.04202836862190.3927253531110.11329072578-0.0889883646655-0.04386648973030.7692734826070.112186934715-0.09762545796910.746093656797-0.06758281092710.90803240902329.63828602219.8479427427-32.4461356237
142.00115747260.879132624052-0.4447018491092.66847221134-0.4318419335142.23452001370.01566204440880.3054559074390.0132198072286-0.57857384905-0.2452459998250.1666470554180.172020072690.001494658966860.08012164892870.7499597901080.234360321552-0.1213181183330.860677254015-0.1486862137790.80046485298924.067902161823.8699823114-41.1641906276
158.356169032290.921394315588-1.284594863712.45234583577-0.214612683212.23350002621-0.07172765250730.338116433313-1.19913508853-0.271524798516-0.00941621904569-0.1693119152790.737411210130.01357804477550.1210156208560.9417770880870.166526193467-0.03600184806060.61850337664-0.1023192873340.77451746433144.4863551234.09670575918-23.7867267086
166.314473377081.70601095175-0.9691850748984.131784331210.6243777389822.711743496490.176688669940.281959569834-0.137881821783-0.478960660018-0.231949067040.254158162783-0.1467519545020.1470670348330.02136069272270.6935154642390.237416261477-0.01690070338820.6938102244150.01596432464410.65914914892651.450631830220.6726560138-24.0180336674
174.478915110094.27899792623-3.546571179345.14038391321-1.99615921785.289337603240.666425525210.0955110333798-1.078096063350.660135064624-0.541591423417-0.4983580279890.484580256178-0.2014510495910.2346413346940.8918235092740.143683207675-0.1981737507520.6173600841620.008939176963470.77694790857151.56673094767.95387250738-16.0626494994
182.53330495267-3.213253648543.26731419375.47604858214-1.644196893179.66734459941-0.263090674208-0.9802559865211.972264119470.630327916981-0.1383107250470.34128347947-0.938433743226-1.13786844680.5861849985651.211530112510.1450003200650.1687757439641.01970551642-0.01169880223541.1970661756743.496035572978.1191440869-40.9242069813
192.887270987893.57867109963.457230567784.42224636364.26826471274.15354434268-0.134238835883-1.556101194850.1642117635531.79983999859-0.0638185240639-0.02859890748240.0180140996910.02318576882520.1626984349591.081585451740.2265563085470.009506410898591.06016124177-0.04436717763810.90067746052549.203445353668.9834058313-39.6317883637
206.57881666144-6.1746365468-0.8715381135517.929602537525.181152628029.470444154380.1841667017210.3604352441111.4135649944-0.319058088474-0.0751138971327-0.355465316294-0.585838226619-0.526614697188-0.08036041137120.8977408352120.104684515445-0.1316643611820.602813792282-0.03921285637450.74179362414449.27435069869.9418828238-48.7167457592
218.621485238263.454863874133.071643117748.128754435620.7063827050833.17393308544-0.3027503656430.8096755037360.58624282392-0.6687777843250.1710359013670.09931361097650.03120930779210.3408193353390.1524377620290.8417237613270.1922273650990.07542099072970.7411211577940.09021955144460.66771313104347.575928702968.7704266742-56.7847524485
223.96552098497-2.037893256412.978447914016.108000915110.590815783363.08433430778-0.2504711317880.702658631308-0.151360575533-0.9234953773510.272133933821-1.03238397489-0.08995865594810.8369894086890.222900899561.10352649462-0.151639336651-0.0165215375552.17293176555-0.2346561953041.30888686573101.22336676618.624615757910.4102864061
235.12037294063-0.7130773790782.187366587027.784824578731.504068004628.64721658835-0.2299339200061.336943602050.182602527352-0.419701516670.102148288175-0.821346252673-0.1423866746891.576930755130.2340635845750.992953579231-0.2240496133550.05777488103741.67386832135-0.09405497199950.91175953638893.910105954526.207692844913.5073802991
244.81562479023-4.261719072751.912397886317.058510864742.80783566797.175539589990.3048029466081.539746647960.2169844013530.2767623861550.763327550309-1.566954135880.1407219204372.04886495781-0.8481675846350.743481268409-0.1244291013930.02821087439221.44131684680.03175333705081.3605229286298.822658562225.505832800925.9918316564
256.06918847808-3.151427794910.3876604839163.45021751793-2.431405738572.881655827830.230987635621-0.523750602936-0.03556488721660.2624083470590.3466248401031.19656353886-0.00850343394229-1.03021221748-0.5660824321791.08429274244-0.1145118816790.0847876784691.1784978995-0.02470768047830.95356769492788.228155945127.973491701228.4575225959
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 121 through 204 )
2X-RAY DIFFRACTION2chain 'A' and (resid 205 through 253 )
3X-RAY DIFFRACTION3chain 'A' and (resid 254 through 393 )
4X-RAY DIFFRACTION4chain 'A' and (resid 394 through 610 )
5X-RAY DIFFRACTION5chain 'A' and (resid 611 through 679 )
6X-RAY DIFFRACTION6chain 'A' and (resid 680 through 728 )
7X-RAY DIFFRACTION7chain 'A' and (resid 729 through 759 )
8X-RAY DIFFRACTION8chain 'B' and (resid 121 through 159 )
9X-RAY DIFFRACTION9chain 'B' and (resid 160 through 204 )
10X-RAY DIFFRACTION10chain 'B' and (resid 205 through 282 )
11X-RAY DIFFRACTION11chain 'B' and (resid 283 through 357 )
12X-RAY DIFFRACTION12chain 'B' and (resid 358 through 439 )
13X-RAY DIFFRACTION13chain 'B' and (resid 440 through 558 )
14X-RAY DIFFRACTION14chain 'B' and (resid 559 through 610 )
15X-RAY DIFFRACTION15chain 'B' and (resid 611 through 679 )
16X-RAY DIFFRACTION16chain 'B' and (resid 680 through 727 )
17X-RAY DIFFRACTION17chain 'B' and (resid 728 through 760 )
18X-RAY DIFFRACTION18chain 'C' and (resid 1 through 15 )
19X-RAY DIFFRACTION19chain 'C' and (resid 16 through 29 )
20X-RAY DIFFRACTION20chain 'C' and (resid 30 through 40 )
21X-RAY DIFFRACTION21chain 'C' and (resid 41 through 88 )
22X-RAY DIFFRACTION22chain 'D' and (resid 1 through 15 )
23X-RAY DIFFRACTION23chain 'D' and (resid 16 through 40 )
24X-RAY DIFFRACTION24chain 'D' and (resid 41 through 73 )
25X-RAY DIFFRACTION25chain 'D' and (resid 74 through 88 )

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