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- PDB-6y6d: Tubulin-7-Aminonoscapine complex -

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Basic information

Entry
Database: PDB / ID: 6y6d
TitleTubulin-7-Aminonoscapine complex
Components
  • Stathmin-4
  • Tubulin alpha-1B chain
  • Tubulin beta-2B chain
  • Tubulin-Tyrosine Ligase
KeywordsCELL CYCLE / TUBULIN FOLD / CYTOSKELETON / MICROTUBULE
Function / homology
Function and homology information


tubulin-tyrosine ligase activity / positive regulation of axon guidance / microtubule depolymerization / regulation of microtubule polymerization or depolymerization / microtubule-based process / cytoplasmic microtubule / tubulin binding / cellular response to interleukin-4 / spindle microtubule / protein modification process ...tubulin-tyrosine ligase activity / positive regulation of axon guidance / microtubule depolymerization / regulation of microtubule polymerization or depolymerization / microtubule-based process / cytoplasmic microtubule / tubulin binding / cellular response to interleukin-4 / spindle microtubule / protein modification process / structural constituent of cytoskeleton / microtubule cytoskeleton organization / neuron migration / neuron projection development / mitotic cell cycle / double-stranded RNA binding / microtubule cytoskeleton / growth cone / Hydrolases; Acting on acid anhydrides; Acting on GTP to facilitate cellular and subcellular movement / microtubule / neuron projection / cilium / protein heterodimerization activity / nucleotide binding / GTPase activity / ubiquitin protein ligase binding / GTP binding / Golgi apparatus / metal ion binding / cytosol / cytoplasm
Similarity search - Function
Rossmann fold - #11480 / Tubulin-tyrosine ligase/Tubulin polyglutamylase / Tubulin-tyrosine ligase family / TTL domain profile. / Stathmin family / Stathmin, conserved site / Stathmin superfamily / Stathmin family / Stathmin family signature 1. / Stathmin family signature 2. ...Rossmann fold - #11480 / Tubulin-tyrosine ligase/Tubulin polyglutamylase / Tubulin-tyrosine ligase family / TTL domain profile. / Stathmin family / Stathmin, conserved site / Stathmin superfamily / Stathmin family / Stathmin family signature 1. / Stathmin family signature 2. / Stathmin-like (SLD) domain profile. / ATP-grasp fold, B domain / D-amino Acid Aminotransferase; Chain A, domain 1 / Tubulin-beta mRNA autoregulation signal. / Alpha tubulin / Beta tubulin, autoregulation binding site / Beta tubulin / Tubulin / Tubulin, C-terminal / Tubulin C-terminal domain / Tubulin, conserved site / Tubulin subunits alpha, beta, and gamma signature. / Tubulin/FtsZ family, C-terminal domain / Tubulin/FtsZ-like, C-terminal domain / Tubulin/FtsZ, C-terminal / Tubulin/FtsZ, 2-layer sandwich domain / Tubulin/FtsZ family, GTPase domain / Tubulin/FtsZ family, GTPase domain / Tubulin/FtsZ, GTPase domain / Tubulin/FtsZ, GTPase domain superfamily / Rossmann fold / 2-Layer Sandwich / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER / GUANOSINE-5'-DIPHOSPHATE / GUANOSINE-5'-TRIPHOSPHATE / Chem-OBQ / Tubulin tyrosine ligase / Stathmin-4 / Tubulin alpha-1B chain / Tubulin beta-2B chain
Similarity search - Component
Biological speciesRattus norvegicus (Norway rat)
Gallus gallus (chicken)
Bos taurus (domestic cattle)
MethodX-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 2.2 Å
AuthorsOliva, M.A. / Prota, A.E. / Rodriguez-Salarichs, J. / Gu, W. / Bennani, Y.L. / Jimenez-Barbero, J. / Canales, A. / Steinmetz, M.O. / Diaz, J.F.
Funding support Spain, Switzerland, 4items
OrganizationGrant numberCountry
Spanish Ministry of Economy and CompetitivenessBFU2013-47014-P Spain
Spanish Ministry of Economy and CompetitivenessBFU2016-75319-R Spain
Spanish Ministry of Science, Innovation, and UniversitiesRYC-2011-07900 Spain
Swiss National Science Foundation31003A_166608 Switzerland
CitationJournal: J.Med.Chem. / Year: 2020
Title: Structural Basis of Noscapine Activation for Tubulin Binding.
Authors: Oliva, M.A. / Prota, A.E. / Rodriguez-Salarichs, J. / Bennani, Y.L. / Jimenez-Barbero, J. / Bargsten, K. / Canales, A. / Steinmetz, M.O. / Diaz, J.F.
History
DepositionFeb 26, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jul 22, 2020Provider: repository / Type: Initial release
Revision 1.1Aug 26, 2020Group: Database references / Derived calculations
Category: citation / citation_author ...citation / citation_author / pdbx_struct_conn_angle / struct_conn
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _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
Revision 1.2Jan 24, 2024Group: 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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Tubulin alpha-1B chain
B: Tubulin beta-2B chain
C: Tubulin alpha-1B chain
D: Tubulin beta-2B chain
E: Stathmin-4
F: Tubulin-Tyrosine Ligase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)265,35522
Polymers261,6316
Non-polymers3,72416
Water9,116506
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: equilibrium centrifugation
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area22940 Å2
ΔGint-127 kcal/mol
Surface area79070 Å2
Unit cell
Length a, b, c (Å)104.360, 157.150, 180.370
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2

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Components

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Protein , 4 types, 6 molecules ACBDEF

#1: Protein Tubulin alpha-1B chain / Alpha-tubulin ubiquitous / Tubulin K-alpha-1 / Tubulin alpha-ubiquitous chain


Mass: 50204.445 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / Organ: Brain / References: UniProt: P81947
#2: Protein Tubulin beta-2B chain


Mass: 49999.887 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / Organ: Brain / References: UniProt: Q6B856
#3: Protein Stathmin-4 / Stathmin-like protein B3 / RB3


Mass: 16844.162 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Rattus norvegicus (Norway rat) / Tissue: Brain / Gene: Stmn4 / Production host: Escherichia coli (E. coli) / References: UniProt: P63043
#4: Protein Tubulin-Tyrosine Ligase


Mass: 44378.496 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Gallus gallus (chicken) / Gene: TTL / Production host: Escherichia coli (E. coli) / References: UniProt: E1BQ43

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Non-polymers , 9 types, 522 molecules

#5: Chemical ChemComp-GTP / GUANOSINE-5'-TRIPHOSPHATE


Mass: 523.180 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C10H16N5O14P3 / Comment: GTP, energy-carrying molecule*YM
#6: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Mg
#7: Chemical ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Ca
#8: Chemical ChemComp-GDP / GUANOSINE-5'-DIPHOSPHATE


Type: RNA linking / Mass: 443.201 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C10H15N5O11P2 / Comment: GDP, energy-carrying molecule*YM
#9: Chemical ChemComp-OBQ / (3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one


Mass: 398.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C21H22N2O6 / Feature type: SUBJECT OF INVESTIGATION
#10: Chemical ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID


Mass: 195.237 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C6H13NO4S / Comment: pH buffer*YM
#11: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H8O3
#12: Chemical ChemComp-ACP / PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER / ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE


Mass: 505.208 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C11H18N5O12P3 / Comment: AMP-PCP, energy-carrying molecule analogue*YM
#13: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 506 / Source method: isolated from a natural source / Formula: H2O

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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: 3.01 Å3/Da / Density % sol: 59.13 %
Crystal growTemperature: 293 K / Method: vapor diffusion / pH: 6.5
Details: 5% PEG 4K, 11% glycerol, 30 mM MgCl2, 30 mM CaCl2, 100 mM MES/Imidazole, pH 6.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: Feb 20, 2013
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.2→43.34 Å / Num. obs: 150529 / % possible obs: 99.95 % / Redundancy: 13.4 % / Biso Wilson estimate: 50.94 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.1382 / Rpim(I) all: 0.03905 / Rrim(I) all: 0.1437 / Net I/σ(I): 14.42
Reflection shellResolution: 2.2→2.279 Å / Redundancy: 13.2 % / Rmerge(I) obs: 3.394 / Mean I/σ(I) obs: 0.74 / Num. unique obs: 14882 / CC1/2: 0.259 / Rpim(I) all: 0.9606 / Rrim(I) all: 3.529 / % possible all: 99.95

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
PHENIX1.17.1_3660refinement
XDSdata reduction
XSCALEdata scaling
PHENIXphasing
RefinementMethod to determine structure: FOURIER SYNTHESIS
Starting model: 4I4T

4i4t


Resolution: 2.2→43.34 Å / SU ML: 0.3451 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.5596
RfactorNum. reflection% reflection
Rfree0.2238 7565 5.03 %
Rwork0.1838 --
obs0.1858 150500 99.97 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 70.24 Å2
Refinement stepCycle: LAST / Resolution: 2.2→43.34 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17236 0 234 506 17976
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002417912
X-RAY DIFFRACTIONf_angle_d0.51824297
X-RAY DIFFRACTIONf_chiral_restr0.04112639
X-RAY DIFFRACTIONf_plane_restr0.00283141
X-RAY DIFFRACTIONf_dihedral_angle_d18.80616621
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.2-2.230.41572590.38034718X-RAY DIFFRACTION99.88
2.23-2.250.36382780.34354695X-RAY DIFFRACTION100
2.25-2.280.36472640.33074669X-RAY DIFFRACTION99.98
2.28-2.310.36392250.32554733X-RAY DIFFRACTION100
2.31-2.340.3332490.30834714X-RAY DIFFRACTION99.96
2.34-2.370.31932510.30164769X-RAY DIFFRACTION99.96
2.37-2.40.33242440.28794675X-RAY DIFFRACTION99.94
2.4-2.440.31282550.26754752X-RAY DIFFRACTION99.98
2.44-2.480.31612310.25724731X-RAY DIFFRACTION100
2.48-2.520.3162670.25384704X-RAY DIFFRACTION100
2.52-2.560.28172590.24414716X-RAY DIFFRACTION100
2.56-2.610.25762940.22624720X-RAY DIFFRACTION100
2.61-2.660.26262250.22084745X-RAY DIFFRACTION100
2.66-2.710.26392280.2234757X-RAY DIFFRACTION100
2.71-2.770.27422310.22844769X-RAY DIFFRACTION100
2.77-2.840.27322500.21954715X-RAY DIFFRACTION100
2.84-2.910.25812360.20984778X-RAY DIFFRACTION100
2.91-2.990.25792270.20554787X-RAY DIFFRACTION99.98
2.99-3.070.25432360.19834759X-RAY DIFFRACTION100
3.07-3.170.22922600.19334729X-RAY DIFFRACTION100
3.17-3.290.23522670.19464746X-RAY DIFFRACTION100
3.29-3.420.22542660.18934770X-RAY DIFFRACTION99.98
3.42-3.570.21342700.17544766X-RAY DIFFRACTION99.98
3.57-3.760.21592750.15974742X-RAY DIFFRACTION100
3.76-40.20032590.14834792X-RAY DIFFRACTION100
4-4.310.18062460.14714805X-RAY DIFFRACTION100
4.31-4.740.16162430.12864871X-RAY DIFFRACTION100
4.74-5.420.17922570.14344834X-RAY DIFFRACTION100
5.42-6.830.20942410.1774909X-RAY DIFFRACTION99.98
6.83-43.340.19442720.16195065X-RAY DIFFRACTION99.63
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)
12.51896598861-0.371113884586-0.2490172836345.04019496970.1089170344791.90209775870.006700079789720.007996948166260.509202842436-0.6010549316040.239836165323-0.375579943087-1.084898095160.395548898735-0.2393062965440.850522264736-0.1725622561490.1606049149340.549651511424-0.1272718462360.54099976299628.434374464195.901459576952.3286126267
22.13686006358-0.598506784455-0.002007471310632.11903174967-0.08896780887993.68480307013-0.02351967414780.2184858743460.254664146273-1.694051237970.0905021443761-0.525561040719-0.9683192631030.190501814727-0.1036255244410.967163339511-0.09874620549110.08248515937770.68166575677-0.1038128851680.56796692287228.981650909586.902943126542.9528475147
31.773758122750.47686957167-0.4140994956464.135330412750.9004538785972.98020536739-0.09494564330.11129671786-0.0227541540572-0.2431730258720.429199844019-0.707078836083-0.2607383959490.707962481109-0.2947482829450.460711171248-0.07565102568620.07662011174860.626680605605-0.2516688859730.56534898392235.088724004477.920083319955.1073926213
42.09792087313-1.156194118732.725432106235.83978555834-0.4538019287336.739218309010.4496408945460.00996426759886-0.6196646073450.03982803693990.0006897085695851.074068818160.328908731393-0.872453563397-0.4607492724930.4714679916410.02560401600880.04982431572510.494613527326-0.1245908594090.61698394714311.684097954178.775145807760.002438178
51.09157743441-0.0579955203910.3521010559383.498734030160.8128334604934.105839424160.0823679530214-0.1076471167160.1629482023290.530610302367-0.04514388131060.145904695355-0.4379026853410.0429199110489-0.0913906368860.4987550918150.01161468444980.09575045277250.42403046689-0.132511600010.47923805300218.757254272386.472902410668.436860394
60.4606755981310.9226132435610.4453185499893.8936308950.07744403124170.8655491194260.0626342943959-0.1016957777940.2108618653871.051123490910.07794832582060.64814605008-0.303598450081-0.266346004294-0.15408245780.8745885367410.04312225855020.1981714478070.502419932128-0.09912123500580.47594848408717.253408293787.214937680280.3187248698
70.866508986158-0.296941081534-0.2611169703223.802172423721.767705546843.007206374530.0107054167966-0.0660282880712-0.06988410661730.6443131053340.1573421682740.09160731860210.1825761647390.340911236487-0.1794771473620.451225581486-0.01214395596590.04009568961440.49069204094-0.1131132875550.47206189784324.605093545872.905385530567.5257019025
83.45060580862-1.4405460412-2.29178117018.327399110181.827237501254.559450927120.03951524315380.3101644911960.0625466682687-0.3083716670240.1047783552640.601656481528-0.413014364176-0.169795136606-0.1537181354490.3885302105770.01708525834040.02582768722220.451462709375-0.04191348088140.49280869522515.565386346264.255633581921.9485784601
94.55072150795-3.48135140446-1.188955330247.478191594012.640037354285.206082442770.2083939203820.3471088845960.607214351363-0.540954865261-0.2836652561860.012744171395-0.988316878545-0.2938353790770.06674702912440.6191933498560.005220677450380.03576246347320.4738621646430.03776619693090.60197281890216.065264506372.16334623518.1743651524
101.85178215646-0.216333405452-0.6273108309032.714988764081.072916458653.39204504431-0.03733767912350.1816168169530.0894934052539-0.182933998550.157574443076-0.133773492219-0.330323034710.263309640396-0.09983109808150.378922375134-0.01549173380460.04188452548680.537240066736-0.1183194476320.46335891020626.412032324356.123529413620.9238614472
111.29485058868-0.569879141378-0.4290446931882.032699823470.6594982411313.379541295180.0386828662947-0.1410999005690.03988629519480.118475983639-0.1320423040350.183033595544-0.00787049882229-0.3680655885450.07482379027950.2794170397550.002119425444230.04951915736380.439864421683-0.1590849646690.43082727052514.537273450355.055332756431.6059510651
124.07496438322-2.379678149512.073642289424.28673423593-0.5568217036393.08188184254-0.38399069167-0.378456296416-0.02761031305720.1466158938120.1355977097440.365196262212-0.154263191885-1.095699872210.1450225820920.519702052268-0.04247260435790.05939370669120.89375091308-0.2171118516860.6259495246971.4745341206956.148472272638.9026953052
134.26959996371-2.07442947283-2.639013017931.501040149431.672958976611.94825606204-0.770426097773-0.8520488264090.2877022023620.9790450535650.4333790225810.396402164983-0.700058634629-1.305740690760.2423016425850.6820153897650.2778118712570.01348060487430.954733363905-0.2731549070850.6869794724494.6354206612864.861711884747.1389900244
144.16027057341-2.080503739243.888876832223.15642531352-1.4167516726.50290260477-0.367720477059-0.5105084618990.3494128174470.1946250265680.0802187267774-0.0415443814532-0.100471016074-1.118857973650.1888126648080.4123984637170.04775398146020.06272631983630.729930201939-0.1836016469840.5142462601148.9172000535762.142542251844.9800143114
151.45352637145-1.95311676751-0.596390406274.944991452663.128008414853.85158261285-0.0900396591233-0.19704445592-0.03875270499260.2443104591860.02564876646220.5387865674830.413452048164-0.1088669001330.1115310236790.324789002329-0.06301256032240.09290727215430.46719057014-0.08268505957760.44195280347814.697382300242.942679399734.1765245869
161.61309663211-0.375424935813-1.070173367745.000072865933.936918889593.95241450764-0.226262501485-0.147778518858-0.2247924840990.8148517622820.158651394299-0.1195711693571.26442474870.839605557706-0.0375131053010.4328113081710.0105898319216-0.05759542005040.508190823757-0.0259416443810.45981405444125.634454663537.869870688530.875600612
171.49818388431-0.580698342309-0.1303781942123.29557331906-0.1006819136581.991856956650.02525712264890.152439889570.143243724786-0.2495595856840.0474716216852-0.0517893214493-0.1863894072250.0986200682859-0.06679329135520.314490811286-0.05811683973980.03680553820230.404856478618-0.0373768003750.33479130005520.120688948132.7556026024-11.9661661994
180.984211899067-0.510139080637-0.1058997992161.445619903480.9595685379391.855404892520.0080414947103-0.01429801101950.1216181505440.0765126914527-0.06758284648070.09985124204310.0469565886371-0.2570299425130.05828317071120.300813208544-0.07489046189080.0332734596420.37215166872-0.04516870509890.3753841242437.7124845294725.68600783623.13669071537
194.06383255977-1.41308111201-0.2694490916324.402417300190.6566672156923.01911887782-0.02472506326310.9531849506460.115580118202-0.8444509820880.08962797110320.1380862026-0.0203728794164-0.377635779342-0.04162533846040.680994951802-0.1405209620180.02769483562210.854668403341-0.02768149769810.37419171355217.41662174289.62502223705-43.7839027573
202.273941196850.125894070352-0.4761089075651.55018974335-0.258644819072.77151744411-0.1799435685820.464211951549-0.28757981462-0.3945903552910.192524165043-0.2436276634040.5302987858060.077446036444-0.02791695880550.648127889621-0.0384275546220.06606331308590.651636706067-0.2289962872430.49353300456224.261133965-4.36650391652-36.8643834719
211.45946134692-0.0832789021495-0.7400353558940.9044460431170.8373864794061.357415269390.04727985575130.562747523642-0.00369466132419-0.3697511314130.118328839947-0.0570455669020.1312805332060.105646970593-0.1422919979730.502395639119-0.02425679743060.04697356649730.549488144078-0.1370928992350.50956483920918.2037348316.55261556682-22.9900446315
222.28034748341-0.67528257603-0.04774811862762.265258846010.3569469229032.82358912295-0.1967948022290.34560709041-0.2436365796580.06150007157230.115280089570.2335204316090.334337520736-0.4630006616160.05993702943950.505124786317-0.1343155160510.04271665508730.535392579115-0.1050609376640.4265947197977.33807804163-3.23105675672-21.6219285525
233.80577353099-0.119265082873-1.541421467862.572493677240.2553094384953.31583773915-0.3296615646480.141145782415-0.9178871990370.06316112839230.0338522051242-0.1037417598880.5798739298670.5349147203790.01283440599260.8373998595270.07303624743150.05000958780180.609558042085-0.2439665808990.75039503970530.406872415-17.4227504631-24.4473837095
243.05482292245-1.14036447331-0.4914027665054.217841961511.057046909860.7023701951170.00629174040787-0.3094007421020.09575947379811.06707061120.251000167195-0.1983541413990.04414052612750.801258015652-0.2210991225311.15181446893-0.0697552243245-0.08925897762140.863225483253-0.2343321100830.71063530767927.616759503292.818379468681.6468584254
250.34958997404-0.122164849751-0.2880084650270.3790162913030.3868436534290.620447304699-0.0826655428766-0.00169596404161-0.01768004134310.4029557268230.536568581615-0.4820345280730.6080156314720.776753335897-0.5404022754670.5839274542020.08943747257920.01750798007930.82369967795-0.2783817025530.74598450690142.984952788827.73406508444.01661752749
263.471374504981.71332169407-1.884871680024.933022131010.3610033342463.23898626163-0.6204463909160.667618381474-0.785619563495-0.05855574504950.1766971957580.0977085052711.46627943859-0.7191766000510.3899762147641.20392181703-0.1665988325630.2211923253860.699030905036-0.1672126687530.654859716316.3118893077354.328269727769.8369153249
276.82396135172.42428202129-0.538772980125.54810475077-3.615744980912.62990786278-0.114542673608-0.714548008935-0.2444248918590.376345830928-0.0368416951046-0.535389663137-0.3134245868231.255022495060.204205578920.7339226209620.0930520820448-0.03987914025110.7424168202730.05798734830290.57664902217511.157991337465.045864141896.829447291
284.244126211921.492590394160.7477813527263.13422759352-0.6408851189981.779849145470.26684675771-0.398963326074-0.09259620225860.364698798543-0.731528526115-1.117633766350.5474370732372.084992403470.3985865460841.030569568150.245568690621-0.1629567263572.094788792460.4917666651151.2472997575619.967130180357.0361025286109.306647436
291.234558824770.699031595975-0.9992512977663.03154906671-0.7746815647922.38902795066-0.501441779657-0.158413535167-0.8707622665570.0237764057330.0824113543478-0.3547532225721.452744998820.2944299458910.2250232038121.316036684960.1556013027960.2635545657360.6532890179440.1972761972940.941383180838-1.689606387647.1825302188101.100736899
303.203877392890.236448609581-2.850834257261.08182306487-0.5062192931454.90433587915-0.3349276770940.133411175708-0.291908137742-0.002936830044240.3237258256030.09835174949750.92180349646-0.230046935866-0.06756955864210.763571867704-0.03098254327360.08058311980260.4389117913130.0123349432030.514419389564-0.81078694996959.297603083787.3913613116
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 79 )
2X-RAY DIFFRACTION2chain 'A' and (resid 80 through 102 )
3X-RAY DIFFRACTION3chain 'A' and (resid 103 through 199 )
4X-RAY DIFFRACTION4chain 'A' and (resid 200 through 223 )
5X-RAY DIFFRACTION5chain 'A' and (resid 224 through 306 )
6X-RAY DIFFRACTION6chain 'A' and (resid 307 through 337 )
7X-RAY DIFFRACTION7chain 'A' and (resid 338 through 439 )
8X-RAY DIFFRACTION8chain 'B' and (resid 2 through 27 )
9X-RAY DIFFRACTION9chain 'B' and (resid 28 through 88 )
10X-RAY DIFFRACTION10chain 'B' and (resid 89 through 180 )
11X-RAY DIFFRACTION11chain 'B' and (resid 181 through 268 )
12X-RAY DIFFRACTION12chain 'B' and (resid 269 through 311 )
13X-RAY DIFFRACTION13chain 'B' and (resid 312 through 338 )
14X-RAY DIFFRACTION14chain 'B' and (resid 339 through 372 )
15X-RAY DIFFRACTION15chain 'B' and (resid 373 through 401 )
16X-RAY DIFFRACTION16chain 'B' and (resid 402 through 438 )
17X-RAY DIFFRACTION17chain 'C' and (resid 1 through 199 )
18X-RAY DIFFRACTION18chain 'C' and (resid 200 through 440 )
19X-RAY DIFFRACTION19chain 'D' and (resid 1 through 88 )
20X-RAY DIFFRACTION20chain 'D' and (resid 89 through 238 )
21X-RAY DIFFRACTION21chain 'D' and (resid 239 through 268 )
22X-RAY DIFFRACTION22chain 'D' and (resid 269 through 399 )
23X-RAY DIFFRACTION23chain 'D' and (resid 400 through 441 )
24X-RAY DIFFRACTION24chain 'E' and (resid 6 through 46 )
25X-RAY DIFFRACTION25chain 'E' and (resid 47 through 143 )
26X-RAY DIFFRACTION26chain 'F' and (resid 1 through 66 )
27X-RAY DIFFRACTION27chain 'F' and (resid 67 through 96 )
28X-RAY DIFFRACTION28chain 'F' and (resid 97 through 184 )
29X-RAY DIFFRACTION29chain 'F' and (resid 185 through 283 )
30X-RAY DIFFRACTION30chain 'F' and (resid 284 through 378 )

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