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- PDB-5jvd: Tubulin-TUB092 complex -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 5jvd
TitleTubulin-TUB092 complex
Components
  • (Tubulin beta-2B ...) x 2
  • Stathmin-4
  • Tubulin alpha-1B chain
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 / cytoplasmic microtubule / microtubule-based process / cellular response to interleukin-4 / tubulin binding / spindle microtubule / Hydrolases; Acting on acid anhydrides; Acting on GTP to facilitate cellular and subcellular movement ...tubulin-tyrosine ligase activity / positive regulation of axon guidance / microtubule depolymerization / regulation of microtubule polymerization or depolymerization / cytoplasmic microtubule / microtubule-based process / cellular response to interleukin-4 / tubulin binding / spindle microtubule / Hydrolases; Acting on acid anhydrides; Acting on GTP to facilitate cellular and subcellular movement / protein modification process / structural constituent of cytoskeleton / microtubule cytoskeleton organization / neuron projection development / microtubule cytoskeleton / double-stranded RNA binding / mitotic cell cycle / nervous system development / growth cone / microtubule / neuron projection / 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 / Methane Monooxygenase Hydroxylase; Chain G, domain 1 - #30 / Methane Monooxygenase Hydroxylase; Chain G, domain 1 / Helix hairpin bin / Tubulin/FtsZ, C-terminal domain / Tubulin-tyrosine ligase/Tubulin polyglutamylase / Tubulin-tyrosine ligase family / TTL domain profile. / Tubulin/FtsZ, GTPase domain / Stathmin family ...Rossmann fold - #11480 / Methane Monooxygenase Hydroxylase; Chain G, domain 1 - #30 / Methane Monooxygenase Hydroxylase; Chain G, domain 1 / Helix hairpin bin / Tubulin/FtsZ, C-terminal domain / Tubulin-tyrosine ligase/Tubulin polyglutamylase / Tubulin-tyrosine ligase family / TTL domain profile. / Tubulin/FtsZ, GTPase domain / 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, A domain / ATP-grasp fold, B domain / D-amino Acid Aminotransferase; Chain A, domain 1 / 60s Ribosomal Protein L30; Chain: A; / 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 / Dna Ligase; domain 1 / Helix non-globular / Special / Helix Hairpins / Rossmann fold / 2-Layer Sandwich / Orthogonal Bundle / 3-Layer(aba) Sandwich / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
Chem-6NL / PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER / GUANOSINE-5'-DIPHOSPHATE / GUANOSINE-5'-TRIPHOSPHATE / 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 (cattle)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.393 Å
AuthorsCanela, M.-D. / Noppen, S. / Bueno, O. / Prota, A.E. / Bargsten, K. / Saez-Calvo, G. / Jimeno, M.-L. / Benkheil, M. / Ribatti, D. / Velazquez, S. ...Canela, M.-D. / Noppen, S. / Bueno, O. / Prota, A.E. / Bargsten, K. / Saez-Calvo, G. / Jimeno, M.-L. / Benkheil, M. / Ribatti, D. / Velazquez, S. / Camarasa, M.-J. / Diaz, J.F. / Steinmetz, M.O. / Priego, E.-M. / Perez-Perez, M.-J. / Liekens, S.
Funding support Spain, Switzerland, 4items
OrganizationGrant numberCountry
Spanish Ministry of Economy and CompetitivenessSAF2012- 39760-C02-01 Spain
Spanish Ministry of Economy and CompetitivenessBIO2013-42984-R Spain
Comunidad de MadridBIPEDD2; ref. P2010/BMD-2457 Spain
Swiss National Science Foundation310030B_138659 and 31003A_166608 Switzerland
CitationJournal: Oncotarget / Year: 2017
Title: Antivascular and antitumor properties of the tubulin-binding chalcone TUB091.
Authors: Canela, M.D. / Noppen, S. / Bueno, O. / Prota, A.E. / Bargsten, K. / Saez-Calvo, G. / Jimeno, M.L. / Benkheil, M. / Ribatti, D. / Velazquez, S. / Camarasa, M.J. / Diaz, J.F. / Steinmetz, M.O. ...Authors: Canela, M.D. / Noppen, S. / Bueno, O. / Prota, A.E. / Bargsten, K. / Saez-Calvo, G. / Jimeno, M.L. / Benkheil, M. / Ribatti, D. / Velazquez, S. / Camarasa, M.J. / Diaz, J.F. / Steinmetz, M.O. / Priego, E.M. / Perez-Perez, M.J. / Liekens, S.
History
DepositionMay 11, 2016Deposition site: RCSB / Processing site: PDBE
Revision 1.0Jun 8, 2016Provider: repository / Type: Initial release
Revision 1.1Apr 26, 2017Group: Database references
Revision 1.2Sep 6, 2017Group: Author supporting evidence / Structure summary / Category: entity / pdbx_audit_support
Item: _entity.pdbx_description / _pdbx_audit_support.funding_organization

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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 beta-2B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)265,50726
Polymers261,6316
Non-polymers3,87620
Water3,909217
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area23530 Å2
ΔGint-156 kcal/mol
Surface area79840 Å2
MethodPISA
Unit cell
Length a, b, c (Å)104.251, 156.317, 180.614
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

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Protein , 2 types, 3 molecules ACE

#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 (cattle) / Tissue: Brain / References: UniProt: P81947
#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) / Gene: Stmn4 / Production host: Escherichia coli (E. coli) / References: UniProt: P63043

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Tubulin beta-2B ... , 2 types, 3 molecules BDF

#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 (cattle) / Tissue: Brain / References: UniProt: Q6B856
#4: Protein Tubulin beta-2B chain


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, 237 molecules

#5: Chemical ChemComp-GTP / GUANOSINE-5'-TRIPHOSPHATE / Guanosine 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.: 4 / Source method: obtained synthetically / Formula: Ca
#8: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C3H8O3
#9: Chemical ChemComp-6NL / (2E)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one


Mass: 342.343 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C19H18O6
#10: Chemical ChemComp-GDP / GUANOSINE-5'-DIPHOSPHATE / Guanosine diphosphate


Type: RNA linking / Mass: 443.201 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C10H15N5O11P2 / Comment: GDP, energy-carrying molecule*YM
#11: Chemical ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID / MES (buffer)


Mass: 195.237 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C6H13NO4S / Comment: pH buffer*YM
#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 / Water


Mass: 18.015 Da / Num. of mol.: 217 / Source method: isolated from a natural source / Formula: H2O

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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: 2.81 Å3/Da / Density % sol: 56.27 %
Crystal growTemperature: 293 K / Method: vapor diffusion / pH: 6.7
Details: 6% PEG 4K, 4% glycerol, 30 mM MgCl2, 30 mM CaCl2, 100 mM MES/Imidazole

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 19, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.39→49.5 Å / Num. obs: 116285 / % possible obs: 99.6 % / Redundancy: 7 % / Net I/σ(I): 11.6
Reflection shellResolution: 2.39→2.54 Å / Redundancy: 6.97 % / Rmerge(I) obs: 2.064 / Mean I/σ(I) obs: 0.95 / % possible all: 97.7

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Processing

Software
NameVersionClassification
PHENIX1.9_1692refinement
XDSdata reduction
XSCALEdata scaling
PHENIXphasing
RefinementResolution: 2.393→49.457 Å / SU ML: 0.34 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 21.78
RfactorNum. reflection% reflection
Rfree0.2084 5815 5 %
Rwork0.1687 --
obs0.1707 116285 99.66 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 2.393→49.457 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17357 0 240 217 17814
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00517979
X-RAY DIFFRACTIONf_angle_d0.87324373
X-RAY DIFFRACTIONf_dihedral_angle_d15.3176645
X-RAY DIFFRACTIONf_chiral_restr0.0342641
X-RAY DIFFRACTIONf_plane_restr0.0043158
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.3935-2.42070.37221750.34983323X-RAY DIFFRACTION90
2.4207-2.44920.37091890.3023608X-RAY DIFFRACTION100
2.4492-2.4790.32851940.28773691X-RAY DIFFRACTION100
2.479-2.51040.32471920.27943637X-RAY DIFFRACTION100
2.5104-2.54340.3391950.26443699X-RAY DIFFRACTION100
2.5434-2.57830.29021900.24423608X-RAY DIFFRACTION100
2.5783-2.61510.28611930.22753664X-RAY DIFFRACTION100
2.6151-2.65410.25841920.22563663X-RAY DIFFRACTION100
2.6541-2.69560.27581920.22273644X-RAY DIFFRACTION100
2.6956-2.73980.25651920.21523651X-RAY DIFFRACTION100
2.7398-2.7870.25611930.20813658X-RAY DIFFRACTION100
2.787-2.83770.23041940.20023686X-RAY DIFFRACTION100
2.8377-2.89230.23341950.20273709X-RAY DIFFRACTION100
2.8923-2.95130.25321910.20533633X-RAY DIFFRACTION100
2.9513-3.01550.24871930.18183657X-RAY DIFFRACTION100
3.0155-3.08560.23261940.18083678X-RAY DIFFRACTION100
3.0856-3.16280.21921930.17363677X-RAY DIFFRACTION100
3.1628-3.24830.20181950.17593696X-RAY DIFFRACTION100
3.2483-3.34380.23141930.17773677X-RAY DIFFRACTION100
3.3438-3.45170.22361940.1723687X-RAY DIFFRACTION100
3.4517-3.57510.22571930.17123672X-RAY DIFFRACTION100
3.5751-3.71820.21571960.16123711X-RAY DIFFRACTION100
3.7182-3.88730.17021950.14693712X-RAY DIFFRACTION100
3.8873-4.09220.18611950.14383708X-RAY DIFFRACTION100
4.0922-4.34840.18111970.13913742X-RAY DIFFRACTION100
4.3484-4.68390.16481950.12683708X-RAY DIFFRACTION100
4.6839-5.15490.171970.13813734X-RAY DIFFRACTION100
5.1549-5.89970.21361990.16443773X-RAY DIFFRACTION100
5.8997-7.4290.2112000.1713814X-RAY DIFFRACTION100
7.429-49.46770.15772090.14493950X-RAY DIFFRACTION100
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)
13.5413-0.0277-0.00826.27960.59133.02040.18490.16960.6613-0.59650.161-0.2794-1.09170.2461-0.3110.8674-0.14010.18920.5435-0.15330.621828.363198.396654.5328
24.0907-0.92860.77842.05131.26295.301-0.35260.20960.0638-1.20890.78490.0428-1.17640.101-0.47390.8278-0.1640.15370.5998-0.11790.554828.457287.299742.7377
32.1540.7885-0.19375.93131.88533.6389-0.04230.22480.0952-0.49090.4686-0.8412-0.4810.7807-0.45150.5257-0.12540.12220.7656-0.28480.713937.954379.940151.9517
40.97540.566-0.40985.35921.10372.82590.0151-0.0515-0.05120.40360.2061-0.20730.08830.5536-0.20830.4670.0444-0.01870.5556-0.16750.498429.341374.119459.8435
52.7767-2.54231.8052.6712-1.63316.44920.64580.0818-0.38290.1823-0.14820.8250.2777-0.8399-0.34290.5130.03650.0910.5758-0.08250.71367.575178.531258.4722
64.83172.06791.68466.47693.76417.24680.09990.19640.39390.1035-0.14590.4849-0.53690.16710.03670.55870.03420.0670.4864-0.08460.540319.836189.03960.2499
73.6893-0.1174-0.16139.50612.4655.2464-0.12990.11630.48960.58010.6736-0.6434-0.57931.0426-0.53530.5844-0.0454-0.04070.7763-0.20170.605632.542784.496572.6417
82.8183-0.54771.00615.13980.59943.55630.0657-0.26830.11580.6385-0.060.4638-0.107-0.06490.00080.65920.0070.1930.4904-0.15930.566614.74886.811274.6107
91.34160.014-0.03094.19763.22295.4970.14620.0403-0.2430.55880.284-0.22220.55870.672-0.39640.51390.1296-0.08750.4967-0.12520.577329.332761.574662.3881
105.8928-2.0589-0.31172.35421.79524.99920.02880.17850.8695-0.1603-0.0012-0.1215-1.0051-0.2451-0.00770.56580.06610.02480.43430.00290.511215.516172.234121.9928
116.828-3.7989-1.40737.07922.84847.47460.27560.96710.2364-1.3812-0.28260.2019-0.9183-0.19450.03560.56740.0518-0.03640.4904-0.01870.391319.703561.567610.4333
122.0785-0.0397-0.65325.30421.83093.25040.06260.09990.1957-0.24790.0879-0.2478-0.29030.3495-0.18440.362-0.03740.03550.5421-0.10140.516629.089556.508420.6196
133.00921.10220.93057.683.03873.6839-0.1123-0.1065-0.05230.04050.1569-0.1510.0120.0517-0.04640.31160.02910.05370.4542-0.09310.404621.108549.631727.9686
144.4684-1.5609-1.69575.3275-3.12524.71350.0749-0.2689-0.6387-0.1858-0.07461.34320.8671-1.9208-0.03370.4591-0.0743-0.01721.0145-0.29250.8359-0.528348.429125.8938
153.06460.0364-0.5079.00755.4366.56780.1513-0.0013-0.0355-0.4326-0.33080.4763-0.3615-0.6540.25450.34540.0918-0.03030.4734-0.07890.49669.253162.076927.5458
163.9183-2.03430.80876.2609-1.38765.1577-0.2334-0.32060.47720.18590.1798-0.3449-0.1645-0.04840.05750.35650.03090.03280.5099-0.17770.528722.22462.28641.2138
173.3028-0.7980.65863.4044-0.08982.8433-0.1179-0.15420.01890.2498-0.09980.4568-0.1418-0.78750.18770.47050.07180.09330.687-0.18680.60335.114760.298242.2726
180.6137-0.036-0.16814.30584.14268.9348-0.0341-0.0533-0.14580.65550.01510.00160.88750.20350.0390.36470.0263-0.02020.3568-0.02720.472122.513137.328631.229
192.4514-1.23340.0324.76510.01733.13270.02360.18590.5075-0.2750.01840.2834-0.6399-0.0992-0.01890.5465-0.06080.01480.53340.04060.55913.274643.6311-12.7301
203.5841-3.52110.46318.74820.15823.30170.07240.2216-0.1407-0.96330.17450.2977-0.1607-0.0953-0.23050.5317-0.11460.03470.53530.030.339518.730831.691-22.3247
212.1858-0.1336-0.4966.82991.5323.4489-0.06710.13760.0338-0.29030.2184-0.3714-0.07940.3274-0.14190.3452-0.08180.05680.5439-0.05880.471727.607928.6117-10.702
221.336-1.7454-0.6154.95590.7632.5408-0.1489-0.08190.13920.1750.04920.09910.0780.13010.10930.351-0.02810.00930.4109-0.0290.380619.683421.282-3.1556
236.8367-2.39841.06032.1451-0.91222.25650.33720.3562-0.7381-0.5170.14950.98960.752-1.1428-0.37250.4831-0.0892-0.04130.6507-0.03720.6995-1.808819.3332-8.4375
241.1930.00520.21588.1973.45752.4104-0.11-0.12040.2487-0.111-0.09310.694-0.1321-0.10910.21180.4209-0.02290.01670.60240.05180.54236.654633.2425-6.665
256.5871-4.79811.19598.0102-0.96033.0609-0.3244-0.08530.80630.67330.2631-0.446-0.4493-0.11970.08760.35-0.01970.02660.437-0.0740.464715.500834.55518.708
261.9425-0.80991.38522.2290.12694.2076-0.0886-0.14670.0349-0.0068-0.08440.33260.0053-0.61640.13460.3543-0.06140.03410.534-0.08060.5745-0.555731.34396.5245
272.3725-1.2537-1.99733.08493.07915.7654-0.0156-0.0303-0.00080.35850.2039-0.13380.52120.3268-0.17360.43470.011-0.01550.3335-0.04620.412322.437110.33962.2546
285.5345-3.045-0.95475.61380.87463.8346-0.03370.98270.4144-0.63670.1922-0.0928-0.0665-0.434-0.13830.6747-0.2210.00840.91420.01680.427315.530511.3469-42.0234
294.7152-1.4352-1.35535.80851.17262.6146-0.50971.62090.6548-1.41620.21330.1410.2951-0.2270.0051.1868-0.31030.18131.2874-0.29340.420924.76720.8935-50.5047
302.0448-0.5791-0.24633.10911.34293.4606-0.16170.7069-0.1904-0.62790.2485-0.79010.37880.5488-0.1040.8038-0.09060.22620.9577-0.280.660832.4298-0.1021-37.9661
312.9376-0.9747-0.01723.8945-0.28082.5610.00010.449-0.6799-0.26730.1392-0.38520.66160.2414-0.10010.7341-0.06950.11740.7003-0.27050.584624.9061-8.0587-31.2531
322.4708-2.36890.79094.31292.46765.39960.34131.0033-1.4446-0.68770.22360.48381.6654-0.7917-0.47921.0992-0.3991-0.04721.0684-0.31230.72575.3738-15.4891-37.0725
332.9003-1.0941-1.30463.36264.32335.479-0.3130.6139-0.1755-0.8731-0.08580.9705-0.0285-0.78450.41850.7762-0.185-0.06070.8268-0.08480.48610.76180.5166-36.0379
344.563-1.75912.43935.7151-2.6375.9903-0.33870.31650.05940.02350.4068-0.2631-0.12660.2708-0.06840.4494-0.1010.0840.5144-0.0970.423719.91725.9647-20.5042
353.2508-0.7250.07593.7542-0.1144.2361-0.22560.497-0.3146-0.13240.25230.48520.4589-0.698-0.05650.5144-0.17280.04740.5868-0.08120.51394.6044-0.6235-21.2973
362.4087-0.8561-0.75852.83010.41721.0014-0.3310.2929-0.77390.07770.086-0.16990.95010.3390.30320.98360.04940.0950.6672-0.29080.863827.8786-18.4577-24.4284
373.0198-1.39570.58582.6738-1.78171.8684-0.1557-0.32060.3231.3375-0.1075-0.7863-0.51311.056-0.0511.2679-0.0893-0.05820.8733-0.28420.759925.081494.568184.3173
381.1751.92932.48314.64646.26219.1126-0.0887-0.22110.19070.37830.592-0.38940.45870.9864-0.60760.44810.044-0.00530.9139-0.32450.868643.414754.821934.1746
39-0.2055-1.5403-1.3679.71668.07896.0924-0.11260.0557-0.0770.09330.3784-0.44080.41630.6253-0.38680.74880.07360.14180.8957-0.31380.844242.41367.055-18.3472
404.8711.7827-2.23534.4403-0.10535.541-0.37120.4583-0.8030.01840.193-0.13691.4317-0.27880.15661.0459-0.06680.14310.5935-0.14590.69256.234953.908569.626
418.40070.79810.05026.9912-4.59388.862-0.1261-0.83160.08660.5496-0.2262-0.9315-0.35461.12580.34450.74770.0351-0.05930.8810.02050.716111.1964.674597.2566
422.3780.28163.54735.3349-1.97256.4919-0.1313-1.92150.1281-0.0497-0.4569-1.32370.39581.44850.59260.96670.1154-0.1752.23810.30151.363421.822260.3753109.0874
432.81251.45550.45174.42322.08326.12530.2560.2451-0.39540.54660.3048-0.78671.24651.4341-0.61171.3590.5290.01671.92340.44631.447619.455151.134105.9947
446.6128-1.01881.05087.30570.5418.4153-0.1839-0.9571-1.10230.7256-0.3184-0.55312.58610.51470.35391.50720.21690.19240.83990.32790.95430.420746.207110.3092
451.99980.0278-1.57822.0828-0.94192.8414-0.651-0.2467-1.00120.17270.1431-0.24461.42650.25560.40891.48550.12950.29290.69440.16271.0932-1.623745.801598.9774
464.29010.2055-4.43091.2916-0.60338.71530.05960.02640.08150.1080.24640.032-0.00170.1054-0.4650.79520.08210.10310.52340.00590.62930.41565.175688.4422
473.91571.0003-2.27212.6854-0.7611.578-0.564-0.5551-0.93770.06820.0759-0.16521.31490.71720.34731.08520.16090.20860.61140.15760.78852.258154.699197.2852
484.3385-0.6031-0.42997.7507-5.21633.68570.0320.7895-0.7716-0.95950.40360.72992.2083-0.2561-0.46211.0476-0.24970.05720.9162-0.10980.8054-6.291152.627576.6038
499.28040.1102-2.33222.0046-1.7978.17620.07350.55080.28910.640.33761.67010.2709-1.308-0.41940.7728-0.0740.06070.78690.03070.8372-9.973262.059486.1394
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 2 through 64 )
2X-RAY DIFFRACTION2chain 'A' and (resid 65 through 99 )
3X-RAY DIFFRACTION3chain 'A' and (resid 100 through 160 )
4X-RAY DIFFRACTION4chain 'A' and (resid 161 through 205 )
5X-RAY DIFFRACTION5chain 'A' and (resid 206 through 223 )
6X-RAY DIFFRACTION6chain 'A' and (resid 224 through 244 )
7X-RAY DIFFRACTION7chain 'A' and (resid 245 through 268 )
8X-RAY DIFFRACTION8chain 'A' and (resid 269 through 381 )
9X-RAY DIFFRACTION9chain 'A' and (resid 382 through 438 )
10X-RAY DIFFRACTION10chain 'B' and (resid 2 through 64 )
11X-RAY DIFFRACTION11chain 'B' and (resid 65 through 99 )
12X-RAY DIFFRACTION12chain 'B' and (resid 100 through 160 )
13X-RAY DIFFRACTION13chain 'B' and (resid 161 through 205 )
14X-RAY DIFFRACTION14chain 'B' and (resid 206 through 223 )
15X-RAY DIFFRACTION15chain 'B' and (resid 224 through 244 )
16X-RAY DIFFRACTION16chain 'B' and (resid 245 through 266 )
17X-RAY DIFFRACTION17chain 'B' and (resid 267 through 381 )
18X-RAY DIFFRACTION18chain 'B' and (resid 382 through 438 )
19X-RAY DIFFRACTION19chain 'C' and (resid 2 through 64 )
20X-RAY DIFFRACTION20chain 'C' and (resid 65 through 99 )
21X-RAY DIFFRACTION21chain 'C' and (resid 100 through 160 )
22X-RAY DIFFRACTION22chain 'C' and (resid 161 through 205 )
23X-RAY DIFFRACTION23chain 'C' and (resid 206 through 223 )
24X-RAY DIFFRACTION24chain 'C' and (resid 224 through 244 )
25X-RAY DIFFRACTION25chain 'C' and (resid 245 through 268 )
26X-RAY DIFFRACTION26chain 'C' and (resid 269 through 381 )
27X-RAY DIFFRACTION27chain 'C' and (resid 382 through 440 )
28X-RAY DIFFRACTION28chain 'D' and (resid 2 through 64 )
29X-RAY DIFFRACTION29chain 'D' and (resid 65 through 99 )
30X-RAY DIFFRACTION30chain 'D' and (resid 100 through 160 )
31X-RAY DIFFRACTION31chain 'D' and (resid 161 through 205 )
32X-RAY DIFFRACTION32chain 'D' and (resid 206 through 223 )
33X-RAY DIFFRACTION33chain 'D' and (resid 224 through 244 )
34X-RAY DIFFRACTION34chain 'D' and (resid 245 through 266 )
35X-RAY DIFFRACTION35chain 'D' and (resid 267 through 381 )
36X-RAY DIFFRACTION36chain 'D' and (resid 382 through 441 )
37X-RAY DIFFRACTION37chain 'E' and (resid 6 through 27 )
38X-RAY DIFFRACTION38chain 'E' and (resid 44 through 90 )
39X-RAY DIFFRACTION39chain 'E' and (resid 91 through 139 )
40X-RAY DIFFRACTION40chain 'F' and (resid 1 through 66 )
41X-RAY DIFFRACTION41chain 'F' and (resid 67 through 96 )
42X-RAY DIFFRACTION42chain 'F' and (resid 97 through 139 )
43X-RAY DIFFRACTION43chain 'F' and (resid 140 through 184 )
44X-RAY DIFFRACTION44chain 'F' and (resid 185 through 198 )
45X-RAY DIFFRACTION45chain 'F' and (resid 199 through 278 )
46X-RAY DIFFRACTION46chain 'F' and (resid 279 through 312 )
47X-RAY DIFFRACTION47chain 'F' and (resid 313 through 339 )
48X-RAY DIFFRACTION48chain 'F' and (resid 340 through 362 )
49X-RAY DIFFRACTION49chain 'F' and (resid 372 through 380 )

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