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- PDB-6tyh: Four-Disulfide Insulin Analog A22/B22 -

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Basic information

Entry
Database: PDB / ID: 6tyh
TitleFour-Disulfide Insulin Analog A22/B22
Components
  • Insulin A chain
  • Insulin B chain
KeywordsHORMONE / Signalling / metabolism
Function / homology
Function and homology information


negative regulation of NAD(P)H oxidase activity / negative regulation of glycogen catabolic process / positive regulation of nitric oxide mediated signal transduction / negative regulation of fatty acid metabolic process / Signaling by Insulin receptor / negative regulation of feeding behavior / IRS activation / Insulin processing / regulation of protein secretion / positive regulation of peptide hormone secretion ...negative regulation of NAD(P)H oxidase activity / negative regulation of glycogen catabolic process / positive regulation of nitric oxide mediated signal transduction / negative regulation of fatty acid metabolic process / Signaling by Insulin receptor / negative regulation of feeding behavior / IRS activation / Insulin processing / regulation of protein secretion / positive regulation of peptide hormone secretion / positive regulation of respiratory burst / Regulation of gene expression in beta cells / negative regulation of acute inflammatory response / positive regulation of protein autophosphorylation / alpha-beta T cell activation / positive regulation of dendritic spine maintenance / Synthesis, secretion, and deacylation of Ghrelin / negative regulation of respiratory burst involved in inflammatory response / negative regulation of protein secretion / negative regulation of gluconeogenesis / positive regulation of glycogen biosynthetic process / Signal attenuation / fatty acid homeostasis / FOXO-mediated transcription of oxidative stress, metabolic and neuronal genes / positive regulation of insulin receptor signaling pathway / negative regulation of lipid catabolic process / regulation of protein localization to plasma membrane / positive regulation of lipid biosynthetic process / negative regulation of oxidative stress-induced intrinsic apoptotic signaling pathway / activation of protein kinase B activity / COPI-mediated anterograde transport / transport vesicle / nitric oxide-cGMP-mediated signaling / negative regulation of reactive oxygen species biosynthetic process / Insulin receptor recycling / insulin-like growth factor receptor binding / positive regulation of brown fat cell differentiation / NPAS4 regulates expression of target genes / neuron projection maintenance / endoplasmic reticulum-Golgi intermediate compartment membrane / positive regulation of nitric-oxide synthase activity / positive regulation of mitotic nuclear division / Insulin receptor signalling cascade / regulation of transmembrane transporter activity / positive regulation of glycolytic process / positive regulation of long-term synaptic potentiation / positive regulation of cytokine production / endosome lumen / acute-phase response / positive regulation of D-glucose import / positive regulation of protein secretion / positive regulation of cell differentiation / Regulation of insulin secretion / insulin receptor binding / wound healing / negative regulation of protein catabolic process / hormone activity / regulation of synaptic plasticity / positive regulation of neuron projection development / positive regulation of protein localization to nucleus / Golgi lumen / cognition / glucose metabolic process / vasodilation / insulin receptor signaling pathway / glucose homeostasis / cell-cell signaling / regulation of protein localization / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling / protease binding / positive regulation of cell growth / secretory granule lumen / positive regulation of canonical NF-kappaB signal transduction / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / positive regulation of MAPK cascade / positive regulation of cell migration / G protein-coupled receptor signaling pathway / Amyloid fiber formation / endoplasmic reticulum lumen / Golgi membrane / negative regulation of gene expression / positive regulation of cell population proliferation / positive regulation of gene expression / regulation of DNA-templated transcription / extracellular space / extracellular region / identical protein binding
Similarity search - Function
Insulin / Insulin family / Insulin-like / Insulin/IGF/Relaxin family / Insulin / insulin-like growth factor / relaxin family. / Insulin, conserved site / Insulin family signature. / Insulin-like superfamily
Similarity search - Domain/homology
ACETONE / PHENOL / Insulin
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.60001899481 Å
AuthorsBlakely, A.D. / Xiong, X.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of Diabetes and Digestive and Kidney Disease (NIH/NIDDK)R01DK120430 United States
CitationJournal: Chem Sci / Year: 2020
Title: Novel four-disulfide insulin analog with high aggregation stability and potency.
Authors: Xiong, X. / Blakely, A. / Karra, P. / VandenBerg, M.A. / Ghabash, G. / Whitby, F. / Zhang, Y.W. / Webber, M.J. / Holland, W.L. / Hill, C.P. / Chou, D.H.
History
DepositionAug 8, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 13, 2019Provider: repository / Type: Initial release
Revision 1.1Dec 25, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.2Mar 11, 2020Group: Database references / Category: citation / citation_author
Item: _citation.journal_id_ISSN / _citation.journal_volume ..._citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.3Oct 30, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_entry_details.has_protein_modification / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Insulin A chain
B: Insulin B chain
C: Insulin A chain
D: Insulin B chain
E: Insulin A chain
F: Insulin B chain
G: Insulin A chain
H: Insulin B chain
I: Insulin A chain
J: Insulin B chain
K: Insulin A chain
L: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)36,36127
Polymers35,20012
Non-polymers1,16115
Water4,161231
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area20020 Å2
ΔGint-263 kcal/mol
Surface area14080 Å2
MethodPISA
Unit cell
Length a, b, c (Å)47.231, 61.821, 60.468
Angle α, β, γ (deg.)90.000, 112.814, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z

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Components

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Protein/peptide , 2 types, 12 molecules ACEGIKBDFHJL

#1: Protein/peptide
Insulin A chain


Mass: 2486.841 Da / Num. of mol.: 6 / Fragment: ADD ENGINEERED MUTATION INSTEAD OF EXPRESSION TAG / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: P01308
#2: Protein/peptide
Insulin B chain


Mass: 3379.902 Da / Num. of mol.: 6 / Mutation: R22C / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: P01308

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Non-polymers , 6 types, 246 molecules

#3: Chemical
ChemComp-IPH / PHENOL


Mass: 94.111 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C6H6O
#4: Chemical ChemComp-ACN / ACETONE


Mass: 58.079 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H6O
#5: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#6: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#7: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 231 / Source method: isolated from a natural source / Formula: H2O

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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: 2.35 Å3/Da / Density % sol: 47.71 % / Description: Thick plate crystals
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / Details: Sodium Citrate, Phenol, Acetone, Zinc acetate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL9-2 / Wavelength: 0.97946 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 12, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97946 Å / Relative weight: 1
ReflectionResolution: 1.6→35.6 Å / Num. obs: 81415 / % possible obs: 98.5 % / Redundancy: 13.2 % / Biso Wilson estimate: 21.35 Å2 / CC1/2: 1 / Net I/σ(I): 20.8
Reflection shellResolution: 1.6→1.65 Å / Mean I/σ(I) obs: 2.3 / Num. unique obs: 4121 / CC1/2: 0.87 / Rpim(I) all: 0.263 / % possible all: 97.01

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Processing

Software
NameVersionClassification
PHENIX1.12_2829refinement
Cootmodel building
XDSdata reduction
XDSdata scaling
AutoSolphasing
RefinementMethod to determine structure: SAD / Resolution: 1.60001899481→35.5952808097 Å / SU ML: 0.164928287021 / Cross valid method: FREE R-VALUE / σ(F): 1.3364811245 / Phase error: 20.7705324969
RfactorNum. reflection% reflection
Rfree0.195794509938 8100 9.9 %
Rwork0.162466996866 --
obs0.165802433142 81415 98.5 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 35.0875371384 Å2
Refinement stepCycle: LAST / Resolution: 1.60001899481→35.5952808097 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms2379 0 73 231 2683
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.006491379359252711
X-RAY DIFFRACTIONf_angle_d0.8325739040193695
X-RAY DIFFRACTIONf_chiral_restr0.0493526148438401
X-RAY DIFFRACTIONf_plane_restr0.00416334529703472
X-RAY DIFFRACTIONf_dihedral_angle_d13.79279071021591
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.60001899481-1.61820.3060158082852160.2805544621011930X-RAY DIFFRACTION76.0453579022
1.6182-1.63720.2894865591492780.2483358583672530X-RAY DIFFRACTION99.433427762
1.6372-1.65720.2422191314742640.2340277194732387X-RAY DIFFRACTION98.6602158541
1.6572-1.67820.2178993690772800.225962025862523X-RAY DIFFRACTION98.6971830986
1.6782-1.70030.2434241456842710.206786919692454X-RAY DIFFRACTION98.8393180994
1.7003-1.72360.2570202638532740.2064263351762435X-RAY DIFFRACTION98.8686131387
1.7236-1.74820.2457262156732610.222184987862443X-RAY DIFFRACTION98.5422740525
1.7482-1.77430.2606372808822720.2219942303642477X-RAY DIFFRACTION98.1785714286
1.7743-1.8020.2611226162432660.2168053074382448X-RAY DIFFRACTION97.5557153127
1.802-1.83150.2364419662172630.2077002963752427X-RAY DIFFRACTION97.0418470418
1.8315-1.86310.2376206939682760.1992630156332435X-RAY DIFFRACTION99.1224862888
1.8631-1.8970.2163834180832760.1848726090352508X-RAY DIFFRACTION99.1452991453
1.897-1.93350.2387574345772730.1893026756542440X-RAY DIFFRACTION98.225923244
1.9335-1.97290.2152413956372730.1775927250162465X-RAY DIFFRACTION98.951933502
1.9729-2.01580.2006852264592740.1824949829152489X-RAY DIFFRACTION98.8197424893
2.0158-2.06270.2142820475442730.1804841958092487X-RAY DIFFRACTION98.0810234542
2.0627-2.11430.2362070285392860.175443095722390X-RAY DIFFRACTION97.5574188844
2.1143-2.17150.2161064010372710.1683632754222407X-RAY DIFFRACTION97.0993473532
2.1715-2.23530.2061437030972700.1688356343162456X-RAY DIFFRACTION97.7411258516
2.2353-2.30750.2027815682192650.1649196314412442X-RAY DIFFRACTION99.0849194729
2.3075-2.38990.1891984988032710.1541832893672473X-RAY DIFFRACTION99.2405063291
2.3899-2.48560.1996435300692830.1573448558942531X-RAY DIFFRACTION99.0496304118
2.4856-2.59870.2078508468962590.1633153701582467X-RAY DIFFRACTION98.8397389413
2.5987-2.73570.2066282720182790.163745906932440X-RAY DIFFRACTION98.052650559
2.7357-2.9070.1955875913482530.1611011733682449X-RAY DIFFRACTION98.0406386067
2.907-3.13130.2055589333982680.1605620166972502X-RAY DIFFRACTION99.4256999282
3.1313-3.44620.1823944251452930.1503643004372476X-RAY DIFFRACTION99.5685005394
3.4462-3.94430.165128026012640.1307499409162464X-RAY DIFFRACTION98.7690079652
3.9443-4.96730.1563833787212660.1234677340562468X-RAY DIFFRACTION99.1298042059
4.9673-35.5952080.1623464619322780.155644034842476X-RAY DIFFRACTION98.9224137931
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)
13.145792524350.625076903916-4.695197196026.61896717649-1.227244544817.02955341359-0.1833010156231.746492214261.39184298894-0.8081416750960.2294745499030.691405958059-0.248580778523-0.332623719911-0.1651756075750.381846884251-0.0648762869876-0.1025226678250.6140212696730.2439518699850.50125906245810.89680569551.56650087876-2.76047598658
22.48827242775-2.52961269639-3.675748259354.822407266112.593593225756.04579665935-0.2001130925231.82839689642-0.128868586148-0.8651208942610.2184295712391.571393224540.395011638627-0.548621660063-0.1380132848330.401348061922-0.0320374979796-0.1334413744210.9261645084010.0361604522920.4348931586743.02571199035-7.39438191937-2.18387041587
33.526224800752.62155603415-2.53925521965.50517550201-2.480505562794.26049287613-0.04683606315630.380239036734-0.211023276296-0.06574594599260.005341632628240.1430308753040.0290050592923-0.3542054842650.03119307706410.190430653485-0.004740010252590.009593791128440.131803898387-0.01366646611560.15563670353213.3405717097-6.309320882293.64975106045
45.026864125525.17040048713-3.976740584465.49772306189-4.273131510993.33065250242-0.356352852421.250437479490.903771713271-0.8297311039960.1816773911990.9042800739720.00877481341086-0.09029329079250.255833279250.568303137241-0.0495475233043-0.04860442846210.4817636763120.0273178878810.36322813983712.5773330813-11.3119423055-2.93567316032
54.362062752624.25988438218-4.755200023514.31169556179-4.846730944935.451842157080.22098939584-1.07041174192-0.4207120804440.639982837336-0.636068355918-0.500492134305-0.05300621334770.7657499201840.3814415219110.358507040557-0.0207898170825-0.04603074640920.3523651435930.06639044642670.35785363101324.8259186448-14.610912272530.2635808808
66.622980298173.58566124461-4.795089240436.47977289962-0.8632542067446.866275583650.77397328094-0.8430690266570.1083144177541.21244221866-0.345956375377-0.274996213105-0.2299281457540.602249240497-0.3142750301760.392158797775-0.0300411113788-0.08196980040680.3164797891490.004259037730950.29835593107724.9941585422-6.4723732523130.5659655015
73.442729480661.013434417790.508263513867.077745548933.249768104174.29943001-0.0290313777234-0.109045393789-0.192540840108-0.00443714783240.0259971390799-0.549147732444-0.06164839121660.1128877930510.04330944105310.145531901220.01171243008110.03031611933280.145868984910.02800599434070.15763776120323.5618863263-8.1817281738521.1609741582
84.54425540866-4.17864455396-0.9650071051295.57499077994-1.14706924666.352243325980.100397731198-0.870586438668-0.5383125948810.2788003506430.203221226617-0.7702875761310.9320671519190.143975943004-0.3186244859390.317148320859-0.0363280623056-0.0559297645910.2928299473180.08020737778280.37657532748632.5780899194-11.270285846122.2596345358
99.056174370347.904911827843.553634166938.735197191090.1073911481746.51468871796-0.3681566604180.1037516903920.934564139943-0.9879391554110.2850079844070.202287359152-0.912127246221-0.1353124934370.1460451047930.5834920444180.0670102877660.06505456736720.336625944591-0.05378987346470.3632754364116.761874431112.736499516316.6093100983
106.811439615550.819669390518-2.156403409854.307180279971.086379848435.8567085382-0.344536915748-0.406042104463-0.1175394331930.07813305782290.2063940433540.06759873014890.3155577462240.1903998765570.1620551129040.3036679079870.03210324846660.03048891804170.192904944985-0.03840718885190.24514632510413.54658827239.1148320302427.6724817956
115.38028781479-0.121925831543-1.18888339116.42695908605-0.8227577173036.21223083253-0.02052876646930.2589920829170.143502768359-0.1983208429660.06646140170030.206527568434-0.2391184585830.16416809885-0.09305529876280.206115295910.004856675558880.0157503675970.079069832242-0.006377132313610.18990395392313.5426983662.7910164870317.3040863257
126.29247296205-1.090176007740.2264766776233.897534216321.526170942560.66618822941-0.04232564507550.6065509927150.444350327992-0.151548474388-0.2813626763990.625624394397-1.26895801542-0.5905454897620.2050947275130.5177183835330.1084991391820.02023076775410.240832209496-0.01335854937820.3349818880715.797453964867.7978444541820.3515274029
139.6979614283-2.468575104344.528103945629.16208207647-2.175763610752.304318787860.0236284415072-0.0507163699753-0.891564341852-0.255671155-0.0357224236088-0.09933227793331.19613170889-0.0670698053166-0.06123049572590.487622647334-0.03973783519380.04927988991060.225220427184-0.02403688970630.27237503912614.0794143126-25.62519584648.38664318553
145.859332896224.39383651041-5.108326606095.3254245377-4.441810996924.74214444403-0.508022609993-0.116494315542-0.7899624973110.31564212978-0.006177800065640.01139829343950.566343617548-0.184511294610.5461151030410.368493464410.03123808074890.04508152796820.245019333353-0.03320284270130.23773913990819.7762159687-24.682042553212.4751375063
154.574522194490.3390006194374.563126963827.14834962061-1.739362441648.12265365983-0.144968696660.409416939664-0.136484615181-0.3705221706540.113037183765-0.19458007844-0.2725485963060.4347267956130.007269365314140.340515411365-0.003089012511520.07773530991180.205482360377-0.07058444165960.28707559546222.6147530448-21.78931178840.872033614468
167.732199620861.29735677931-3.359368994494.360756286970.02610309413252.56484735844-0.239233505554-0.18099248456-0.0747124839723-0.1641927359450.0488921126162-0.005185377648490.2072144207320.0144385850110.1564887193570.222876770155-0.001064721898060.01236143208590.0988449345488-0.01148126605720.18575814972416.7156926786-15.13517883667.99217368015
174.814607285214.28417597891-5.054409858464.27633296704-4.798664721755.50833055893-0.404585990260.596764677124-0.7746972556020.2196341523620.1581919416390.6599298409920.660001832346-1.159506697370.3049690673570.558913979353-0.1358498576640.07120665880790.357354349716-0.05266989954870.42544826485611.0132516142-18.49834713311.3799841946
180.653013776137-1.22923922346-1.462025000592.803263325991.923873158144.71544303467-0.0598704131264-1.87266719029-1.634139587220.7994534996890.6976653238561.067125036040.369613564906-1.5254111731-0.5015594017940.342186872871-0.01447881174010.01890044605120.6148472160370.1937340724010.4728429225680.454891732617-10.841138397923.2124493478
195.35195601124-6.027935979225.136468086077.27994578663-5.27744001695.478710898290.760715263067-0.988345883158-1.54195942564-0.03603316850450.3581741745190.5937734426310.888097813793-0.908955548004-1.113240878250.357452842906-0.0808793780446-0.1192736164150.3367173902560.09712537059470.5644185988250.163247585112-14.335833490816.743086398
205.130744443530.3181976997950.3333193245799.029830383556.268314287398.47850147115-0.140374945867-0.6498951202820.502500832141-0.0867550623837-0.03541054997120.657568279557-0.453034120968-0.4718410912020.1620259457270.1790397955420.009183525708850.0073380284190.256273561203-0.03001311465730.42269066249-3.02442226515-2.8988966768314.6680176039
214.7592552939-2.8936791753.851940092846.68799723443-5.770120652138.04564623096-0.222181077571-0.01078844589280.1595102657370.1788784437860.1071087977720.151269417023-0.301794884464-0.1840730599680.16004108810.1951315514820.0106678445010.02820253901450.0999203296328-0.0180452001880.1442063832917.45307698058-5.0884795715818.361673129
225.116725200511.05794504951.5840420952.135038363550.2334804267336.58535445920.0707818990719-1.2037773613-0.2600794126910.827291102164-0.1241332304610.9747494676840.306160223383-0.77853163859-0.1220635160090.40984433164-0.0101141587870.201240798920.424551657760.006491079486670.4543301659153.10097675295-0.13647160939924.5721540372
236.67682478565-3.660866290513.303640541042.88950747959-0.1652625867867.619689051410.07188599736680.2428079663690.27150858421-0.172437133849-0.181199946471-0.671917019434-0.3114261481950.4555658232490.09186546458530.259903490518-0.03833671925890.04005558012180.2149446125880.05380922141750.29071654931433.2767896059-0.9627969392374.36458635755
243.902612059810.4913463661443.455849093688.82535591906-3.032626356544.832418927430.08566606452630.3145635214880.157235769913-0.3164399721-0.411817767403-0.9804585210130.5720643584551.029081951520.3005162054460.2343987970920.02465089662160.04524213334550.325414668140.01860930993640.38324094054336.4229174095-11.59486416588.45101448106
255.06907783581-0.807067206394-0.1308001135525.386263104650.1350184044373.47738231024-0.0351941242419-0.1128746397830.02131920769010.123758774897-0.00131992081452-0.161907681645-0.2370107376240.1349782063650.08219880388250.168805317991-0.03275708755760.02570907092210.118574329409-0.00190444092640.1008979218926.9973360557-5.0528765057412.5989309236
264.43728491234.01553942748-1.586800039994.77495889721-4.242403785357.477264541260.3958042524620.2605306273090.495045928878-0.143601931898-0.285133761374-0.507183783372-0.4942917572120.7638670201840.1401342957970.342294066674-0.03766113152510.07782797469270.2994505681660.08890723909430.38024998874634.3655568115-3.3747791584315.9326353459
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 12 )
2X-RAY DIFFRACTION2chain 'A' and (resid 13 through 22 )
3X-RAY DIFFRACTION3chain 'B' and (resid 1 through 22 )
4X-RAY DIFFRACTION4chain 'B' and (resid 23 through 29 )
5X-RAY DIFFRACTION5chain 'C' and (resid 1 through 6 )
6X-RAY DIFFRACTION6chain 'C' and (resid 7 through 22 )
7X-RAY DIFFRACTION7chain 'D' and (resid 1 through 22 )
8X-RAY DIFFRACTION8chain 'D' and (resid 23 through 29 )
9X-RAY DIFFRACTION9chain 'E' and (resid 1 through 12 )
10X-RAY DIFFRACTION10chain 'E' and (resid 13 through 22 )
11X-RAY DIFFRACTION11chain 'F' and (resid 1 through 22 )
12X-RAY DIFFRACTION12chain 'F' and (resid 23 through 29 )
13X-RAY DIFFRACTION13chain 'G' and (resid 1 through 6 )
14X-RAY DIFFRACTION14chain 'G' and (resid 7 through 12 )
15X-RAY DIFFRACTION15chain 'G' and (resid 13 through 22 )
16X-RAY DIFFRACTION16chain 'H' and (resid 1 through 22 )
17X-RAY DIFFRACTION17chain 'H' and (resid 23 through 29 )
18X-RAY DIFFRACTION18chain 'I' and (resid 1 through 7 )
19X-RAY DIFFRACTION19chain 'I' and (resid 8 through 12 )
20X-RAY DIFFRACTION20chain 'I' and (resid 13 through 22 )
21X-RAY DIFFRACTION21chain 'J' and (resid 1 through 22 )
22X-RAY DIFFRACTION22chain 'J' and (resid 23 through 29 )
23X-RAY DIFFRACTION23chain 'K' and (resid 1 through 12 )
24X-RAY DIFFRACTION24chain 'K' and (resid 13 through 22 )
25X-RAY DIFFRACTION25chain 'L' and (resid 1 through 22 )
26X-RAY DIFFRACTION26chain 'L' and (resid 23 through 29 )

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