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- PDB-5w0w: Crystal structure of Protein Phosphatase 2A bound to TIPRL -

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Basic information

Entry
Database: PDB / ID: 5w0w
TitleCrystal structure of Protein Phosphatase 2A bound to TIPRL
Components
  • Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform
  • Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform
  • TIP41-like protein
KeywordsHYDROLASE / complex phosphotase phosphotase regulator
Function / homology
Function and homology information


meiotic spindle elongation / Integration of energy metabolism / PP2A-mediated dephosphorylation of key metabolic factors / RNA polymerase II CTD heptapeptide repeat S2 phosphatase activity / RNA polymerase II CTD heptapeptide repeat S7 phosphatase activity / MASTL Facilitates Mitotic Progression / protein phosphatase type 2A complex / protein serine/threonine phosphatase complex / regulation of meiotic cell cycle process involved in oocyte maturation / peptidyl-threonine dephosphorylation ...meiotic spindle elongation / Integration of energy metabolism / PP2A-mediated dephosphorylation of key metabolic factors / RNA polymerase II CTD heptapeptide repeat S2 phosphatase activity / RNA polymerase II CTD heptapeptide repeat S7 phosphatase activity / MASTL Facilitates Mitotic Progression / protein phosphatase type 2A complex / protein serine/threonine phosphatase complex / regulation of meiotic cell cycle process involved in oocyte maturation / peptidyl-threonine dephosphorylation / mitotic sister chromatid separation / meiotic sister chromatid cohesion, centromeric / INTAC complex / RNA polymerase II CTD heptapeptide repeat S5 phosphatase activity / FAR/SIN/STRIPAK complex / Regulation of glycolysis by fructose 2,6-bisphosphate metabolism / Inhibition of replication initiation of damaged DNA by RB1/E2F1 / female meiotic nuclear division / protein phosphatase regulator activity / GABA receptor binding / APC truncation mutants have impaired AXIN binding / AXIN missense mutants destabilize the destruction complex / Truncations of AMER1 destabilize the destruction complex / protein antigen binding / ERKs are inactivated / positive regulation of extrinsic apoptotic signaling pathway in absence of ligand / Beta-catenin phosphorylation cascade / Signaling by GSK3beta mutants / CTNNB1 S33 mutants aren't phosphorylated / CTNNB1 S37 mutants aren't phosphorylated / CTNNB1 S45 mutants aren't phosphorylated / CTNNB1 T41 mutants aren't phosphorylated / Initiation of Nuclear Envelope (NE) Reformation / RNA polymerase II transcription initiation surveillance / Co-stimulation by CD28 / regulation of growth / Disassembly of the destruction complex and recruitment of AXIN to the membrane / negative regulation of epithelial to mesenchymal transition / Co-inhibition by CTLA4 / protein phosphatase inhibitor activity / Platelet sensitization by LDL / protein-serine/threonine phosphatase / negative regulation of glycolytic process through fructose-6-phosphate / positive regulation of NLRP3 inflammasome complex assembly / ERK/MAPK targets / mesoderm development / protein serine/threonine phosphatase activity / vascular endothelial cell response to oscillatory fluid shear stress / T cell homeostasis / regulation of cell differentiation / phosphoprotein phosphatase activity / regulation of microtubule polymerization / regulation of G1/S transition of mitotic cell cycle / lateral plasma membrane / chromosome, centromeric region / DARPP-32 events / negative regulation of hippo signaling / Nonsense Mediated Decay (NMD) enhanced by the Exon Junction Complex (EJC) / protein dephosphorylation / Cyclin A/B1/B2 associated events during G2/M transition / spindle assembly / Amplification of signal from unattached kinetochores via a MAD2 inhibitory signal / Mitotic Prometaphase / EML4 and NUDC in mitotic spindle formation / Loss of Nlp from mitotic centrosomes / Loss of proteins required for interphase microtubule organization from the centrosome / Recruitment of mitotic centrosome proteins and complexes / negative regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / Recruitment of NuMA to mitotic centrosomes / Anchoring of the basal body to the plasma membrane / protein tyrosine phosphatase activity / Resolution of Sister Chromatid Cohesion / DNA damage checkpoint signaling / Turbulent (oscillatory, disturbed) flow shear stress activates signaling by PIEZO1 and integrins in endothelial cells / AURKA Activation by TPX2 / meiotic cell cycle / chromosome segregation / RHO GTPases Activate Formins / RAF activation / Spry regulation of FGF signaling / negative regulation of canonical Wnt signaling pathway / Degradation of beta-catenin by the destruction complex / PKR-mediated signaling / response to lead ion / tau protein binding / spindle pole / Negative regulation of MAPK pathway / Cyclin D associated events in G1 / Separation of Sister Chromatids / Regulation of TP53 Degradation / Regulation of PLK1 Activity at G2/M Transition / mitotic cell cycle / microtubule cytoskeleton / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling / protein-containing complex assembly / neuron projection / intracellular signal transduction / membrane raft / protein heterodimerization activity / neuronal cell body
Similarity search - Function
TIP41-like protein / TIP41-like family / : / : / : / HEAT repeat / HEAT repeat / : / PPP2R1A-like HEAT repeat / Serine/threonine specific protein phosphatases signature. ...TIP41-like protein / TIP41-like family / : / : / : / HEAT repeat / HEAT repeat / : / PPP2R1A-like HEAT repeat / Serine/threonine specific protein phosphatases signature. / Protein phosphatase 2A homologues, catalytic domain. / Serine/threonine-specific protein phosphatase/bis(5-nucleosyl)-tetraphosphatase / HEAT repeat profile. / HEAT, type 2 / Metallo-dependent phosphatases / HEAT repeats / Purple Acid Phosphatase; chain A, domain 2 / Calcineurin-like phosphoesterase domain, ApaH type / Calcineurin-like phosphoesterase / Leucine-rich Repeat Variant / Leucine-rich Repeat Variant / Metallo-dependent phosphatase-like / 4-Layer Sandwich / Armadillo-like helical / Alpha Horseshoe / Armadillo-type fold / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
: / Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform / Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform / TIP41-like protein
Similarity search - Component
Biological speciesHomo sapiens (human)
Mus musculus (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 3.8 Å
AuthorsWu, C. / Zheng, A. / Li, J. / Satyshur, K. / Xing, Y.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)RO1 GM096060-01 United States
CitationJournal: Nat Commun / Year: 2017
Title: Methylation-regulated decommissioning of multimeric PP2A complexes.
Authors: Wu, C.G. / Zheng, A. / Jiang, L. / Rowse, M. / Stanevich, V. / Chen, H. / Li, Y. / Satyshur, K.A. / Johnson, B. / Gu, T.J. / Liu, Z. / Xing, Y.
History
DepositionJun 1, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 17, 2018Provider: repository / Type: Initial release
Revision 1.1Jan 1, 2020Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.2Nov 20, 2024Group: Data collection / Database references / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature
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: Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform
B: TIP41-like protein
C: Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform
D: Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform
E: TIP41-like protein
F: Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform
G: Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform
H: TIP41-like protein
I: Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform
J: Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform
K: TIP41-like protein
L: Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform
hetero molecules


Theoretical massNumber of molelcules
Total (without water)522,32416
Polymers522,10512
Non-polymers2204
Water00
1
A: Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform
B: TIP41-like protein
C: Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform
hetero molecules


Theoretical massNumber of molelcules
Total (without water)130,5814
Polymers130,5263
Non-polymers551
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform
E: TIP41-like protein
F: Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform
hetero molecules


Theoretical massNumber of molelcules
Total (without water)130,5814
Polymers130,5263
Non-polymers551
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
G: Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform
H: TIP41-like protein
I: Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform
hetero molecules


Theoretical massNumber of molelcules
Total (without water)130,5814
Polymers130,5263
Non-polymers551
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
J: Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform
K: TIP41-like protein
L: Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform
hetero molecules


Theoretical massNumber of molelcules
Total (without water)130,5814
Polymers130,5263
Non-polymers551
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)150.983, 150.983, 285.498
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number145
Space group name H-MP32

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Components

#1: Protein
Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform / Medium tumor antigen-associated 61 kDa protein / PP2A subunit A isoform PR65-alpha / PP2A subunit A ...Medium tumor antigen-associated 61 kDa protein / PP2A subunit A isoform PR65-alpha / PP2A subunit A isoform R1-alpha


Mass: 65701.609 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: PPP2R1A / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) / References: UniProt: P30153
#2: Protein
TIP41-like protein


Mass: 29044.281 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Tiprl / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) / References: UniProt: Q8BH58
#3: Protein
Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform / PP2A-alpha / Replication protein C / RP-C


Mass: 35780.281 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: PPP2CA / Production host: Trichoplusia ni (cabbage looper) / Strain (production host): Hi5
References: UniProt: P67775, protein-serine/threonine phosphatase
#4: Chemical
ChemComp-MN / MANGANESE (II) ION


Mass: 54.938 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mn
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 2

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Sample preparation

CrystalDensity Matthews: 3.66 Å3/Da / Density % sol: 66.43 %
Crystal growTemperature: 292 K / Method: vapor diffusion, sitting drop / pH: 5.2
Details: 0.1M citric acid pH 5.2, 9% PEG4000, 0.2M sodium acetate
PH range: 5.0-6.0

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-G / Wavelength: 0.9787 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Oct 30, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9787 Å / Relative weight: 1
ReflectionResolution: 3.8→50 Å / Num. obs: 143440 / % possible obs: 100 % / Observed criterion σ(F): 0 / Redundancy: 11.7 % / Rmerge(I) obs: 0.875 / Rpim(I) all: 0.273 / Net I/av σ(I): 5 / Net I/σ(I): 11.3
Reflection shellResolution: 3.8→3.88 Å / Redundancy: 11.8 % / Rmerge(I) obs: 3.29 / Mean I/σ(I) obs: 1 / Num. unique obs: 4467 / Rpim(I) all: 1 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX(1.11.1_2575: ???)refinement
XDS2015data processing
Aimless1.10.13data scaling
CRANK2.0.11phasing
Coot0.8.8model building
XDSdata reduction
RefinementMethod to determine structure: SAD / Resolution: 3.8→49.421 Å / SU ML: 0.51 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 27.64 / Stereochemistry target values: ML
Details: The peptide linkage error was caused by poor electron density in the region
RfactorNum. reflection% reflectionSelection details
Rfree0.246 9988 6.97 %10%
Rwork0.1968 ---
obs0.2002 143300 99.97 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.8→49.421 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms34718 0 4 0 34722
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00335420
X-RAY DIFFRACTIONf_angle_d0.67848023
X-RAY DIFFRACTIONf_dihedral_angle_d4.80622113
X-RAY DIFFRACTIONf_chiral_restr0.0445518
X-RAY DIFFRACTIONf_plane_restr0.0046170
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.8001-3.84320.38663280.34024469X-RAY DIFFRACTION100
3.8432-3.88840.39673160.32084458X-RAY DIFFRACTION100
3.8884-3.93580.36493300.31264400X-RAY DIFFRACTION100
3.9358-3.98560.35733160.29954512X-RAY DIFFRACTION100
3.9856-4.0380.33463760.29414388X-RAY DIFFRACTION100
4.038-4.09330.34213120.27184537X-RAY DIFFRACTION100
4.0933-4.15180.33272880.25654365X-RAY DIFFRACTION100
4.1518-4.21370.3173800.25484424X-RAY DIFFRACTION100
4.2137-4.27950.28443440.23844362X-RAY DIFFRACTION100
4.2795-4.34960.25573460.22554515X-RAY DIFFRACTION100
4.3496-4.42460.27013620.21114460X-RAY DIFFRACTION100
4.4246-4.5050.25962960.19794418X-RAY DIFFRACTION100
4.505-4.59160.24814080.19214376X-RAY DIFFRACTION100
4.5916-4.68520.25542720.18944510X-RAY DIFFRACTION100
4.6852-4.7870.24352860.1914418X-RAY DIFFRACTION100
4.787-4.89830.25523760.17984514X-RAY DIFFRACTION100
4.8983-5.02070.2522840.1954490X-RAY DIFFRACTION100
5.0207-5.15630.26082960.20424388X-RAY DIFFRACTION100
5.1563-5.30790.26453160.20944500X-RAY DIFFRACTION100
5.3079-5.4790.27413720.20774432X-RAY DIFFRACTION100
5.479-5.67450.2763040.24470X-RAY DIFFRACTION100
5.6745-5.90140.26043380.20534406X-RAY DIFFRACTION100
5.9014-6.16950.3183600.21624392X-RAY DIFFRACTION100
6.1695-6.49410.26513080.2144486X-RAY DIFFRACTION100
6.4941-6.89990.26043560.21674508X-RAY DIFFRACTION100
6.8999-7.4310.2462720.20234428X-RAY DIFFRACTION100
7.431-8.17580.23094640.16714328X-RAY DIFFRACTION100
8.1758-9.35190.17663360.13844460X-RAY DIFFRACTION100
9.3519-11.75620.14893640.1194419X-RAY DIFFRACTION100
11.7562-49.42490.20632890.18324472X-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)
12.1777-3.3706-4.8146.0122-2.8495.1340.6709-0.20621.5959-0.0472-0.3257-1.1605-1.10590.34-0.22491.6741-0.4602-0.13371.159-0.21871.226-57.2742118.54615.7755
21.3821-2.95430.37095.1019-1.26152.3776-0.00950.4431-0.7391-0.25510.10150.16360.3831-0.0307-0.11021.2665-0.3929-0.21491.1729-0.25091.3903-57.877494.871712.677
37.13371.9999-0.08773.28051.40973.094-0.3664-0.4405-1.35580.5765-0.0337-0.6550.76320.04760.3771.8053-0.0687-0.10930.97760.24291.8654-32.366378.800326.2923
41.6912-0.48750.29744.6958-1.00910.22260.0578-0.7558-0.33951.1282-0.0922-0.0623-0.18250.38150.02941.7281-0.2608-0.1261.59770.14740.9303-12.5713117.502935.0972
52.0986-5.66090.84952.04141.35316.9168-0.4043-1.26872.13210.3595-0.71090.57420.8896-2.0480.81081.4342-0.4639-0.32352.5770.19041.9463-52.3354105.881-20.2269
65.3922-0.3671-4.02792.02532.43294.3977-0.39490.87180.8594-1.2206-0.01691.8811-1.37281.60730.20091.6118-0.5124-0.37151.5907-0.08412.0161-47.423181.9106-9.3028
74.0285-0.67431.42484.6586-0.82546.4075-0.28110.9682-0.4785-0.8110.35360.15031.3703-0.6786-0.30811.4252-0.6319-0.20871.6229-0.46291.8663-40.019190.0391-15.7638
87.3461-2.7301-3.39032.18540.98083.6912-0.57150.5341-1.257-2.25720.2883-0.3721-0.6916-0.15910.11551.60840.0481-0.04021.953-0.20351.1421-36.7295101.872-29.2912
98.4976-1.03073.08155.3006-0.45287.72820.39440.4547-0.7603-0.5205-0.07221.23111.105-1.0461-0.37911.2113-0.1807-0.03391.3675-0.27611.0959-36.828102.856-10.4356
103.2333-0.49235.02469.3298-3.26568.7357-0.66560.69060.33291.0246-0.0464-0.2326-1.09740.18650.76771.3509-0.18940.01291.3909-0.04731.1789-26.5553103.5066-9.1906
119.58562.66818.15325.80791.2547.0320.05331.8843-0.0212-0.0098-0.0837-0.6293-1.89762.3102-0.1681.5887-0.39860.36962.0178-0.08311.2302-33.8222102.6148-27.9639
126.6727-3.7390.95171.9956-0.43093.5906-1.09040.2509-0.84661.36470.9552.37880.4734-1.3041-0.24591.4682-0.33420.36361.3915-0.29131.1433-31.4163134.759515.5849
132.5742-0.22310.24849.3342-3.54067.7908-0.9290.4265-0.3906-0.5670.91860.1390.8824-1.441-0.26051.077-0.1281-0.15231.37920.08890.979-30.731134.43445.7379
147.8822-1.0646-0.99162.858-1.36494.25110.21120.5153-0.3453-0.0961-0.18410.23550.2172-0.0285-0.05290.8493-0.1743-0.05520.7167-0.05790.6389-15.6904130.9470.7892
151.8765-7.264-9.35252.70114.94478.5202-0.5886-0.1019-0.3138-1.39330.4755-1.4564-0.37741.7362-0.1381.0380.02260.05681.35390.17660.95682.4623129.259-8.0345
163.01695.1873-0.19416.69660.22327.16550.66740.3329-0.7780.7256-0.4988-0.66260.01670.3345-0.17120.881-0.0211-0.1051.26310.13231.0708-4.4773120.73463.9232
177.60912.42182.25315.11821.89725.720.7143-0.9206-0.78310.9891-1.06430.57640.4476-0.68830.19191.0395-0.12880.27291.20740.10541.0595-16.5351118.52398.7902
187.24642.1794-4.63380.9168-1.61294.92420.4435-0.22270.68460.19040.16660.2474-1.03650.2622-0.59161.5229-0.0220.15210.8219-0.00280.9877-60.1849145.117879.9591
199.09111.79473.63321.59811.67673.21220.03390.22860.780.06420.10540.0937-0.4837-0.1138-0.18441.5654-0.15950.151.0610.15670.9114-62.7717132.978730.33
207.71442.13375.10951.99129.00991.98821.523-1.5122-0.7154-0.7313-2.8869-0.3528-1.828-1.80241.32241.54070.0456-0.26931.62790.11181.5094-81.6637108.884294.3402
219.0327-1.4621-0.67197.9051-3.74276.81070.9564-1.76151.6172-0.1985-0.33360.7725-2.9671.99-1.2733.2911-0.90370.00391.7918-0.32461.5604-60.3354123.8402101.3062
225.04195.37861.88787.90165.01564.07640.7882-0.9321-0.00840.0909-0.7849-0.4175-2.74360.7490.08542.7222-0.44530.04431.09850.25191.0838-65.0992113.549496.6528
236.79962.0159-1.50099.8631-3.09585.86390.95080.29620.54960.7407-0.8062-0.3048-2.77611.1416-0.07162.2342-0.3393-0.29511.2690.08060.8571-58.763108.993994.763
246.46593.0673-3.58476.54060.17717.9412-0.06570.70431.1939-0.1675-0.05830.5811-2.63930.61810.02852.0319-0.1638-0.24581.02820.32930.9586-67.0272110.540182.5988
252.2427-1.1290.4052.33642.37492.0282-0.9817-0.2852-0.07680.178-0.23430.0285-0.8012-0.67031.22221.35680.1460.00831.20250.17581.0883-74.382599.528785.5915
262.54445.276-4.55862.7176-2.12537.8590.13521.3985-0.87570.0287-0.0072-0.7199-1.12180.46750.20321.5135-0.19840.06141.26420.16691.327-59.5478104.471179.8698
275.60983.1936-3.72547.157-1.8493.78110.0293-0.05450.6432-0.90570.17490.0836-0.83810.7014-0.34671.7285-0.3438-0.18841.10090.01680.7872-61.7802107.023377.5457
285.5162-3.25722.07684.88292.0446.26410.4145-0.20690.16911.351-0.15791.2518-0.2702-0.6981-0.24851.7927-0.53610.29571.14220.42691.3639-79.5934111.919544.9195
298.17-0.31073.46844.8195.93038.869-0.1006-0.01820.0833-0.5821.0432-0.57091.4178-1.3059-0.86811.5215-0.43610.09481.0920.31931.1325-67.6176114.726847.1457
302.5265-0.81874.33596.60090.70365.62050.3304-0.555-0.01230.17420.59110.87031.146-1.2504-0.97231.2795-0.36530.15321.53590.33671.0676-75.6708109.183945.3154
316.2558-2.05324.89354.475-0.1684.288-1.2021-1.2875-1.1240.66781.7341.26430.6209-2.084-0.43121.7928-0.460.20991.9130.48111.2395-78.8107104.353158.9661
325.66720.2309-1.08298.825-1.88013.7913-0.2348-0.5299-0.72990.2880.29780.12030.3227-0.0902-0.03921.5851-0.4545-0.12190.97760.20771.2431-65.157290.96342.4869
334.56482.02081.07449.36226.92865.96770.1084-0.8528-1.14460.39810.0605-0.60030.22650.0609-0.20031.6798-0.603-0.08791.27470.30221.3134-56.2314104.254545.9001
346.9377-1.1508-4.22773.5622-0.04423.8598-0.7096-0.06610.4071-0.29260.57490.15391.58960.3-0.07181.821-0.2546-0.24020.92380.19011.0058-63.1089113.59648.9637
3510.045-4.3146-0.36621.9587-1.50454.3769-0.18770.0492-0.89150.27020.2262-0.21710.7623-0.0209-0.12121.5041-0.2725-0.19250.9324-0.12131.2098-70.529728.646347.4266
361.05731.65451.55483.68060.97649.4950.1822-0.1396-0.4303-0.119-0.5754-0.74040.95030.84620.44161.59080.3676-0.40351.6487-0.0842.4799-40.028722.568565.3859
374.15281.9429-4.3333.85833.35798.20480.1452-0.1969-0.92370.03890.4148-0.99941.42660.316-0.47821.39830.2481-0.58331.24460.18592.5154-40.262527.456393.0525
387.103-1.0972-0.37882.0360.96771.65670.0674-0.6414-1.43960.8859-0.0713-0.20890.79180.13180.01751.97350.0175-0.31040.88540.2871.2616-68.978538.3828109.4294
394.50980.8612-0.13727.68981.55189.0513-0.04222.6171-0.0257-1.60940.4777-0.51511.00760.9444-0.48291.5469-0.28010.10411.5997-0.01791.0217-58.658255.310242.6114
407.4484-0.37333.64962.01180.11197.2326-0.54460.61920.0606-0.76290.27770.2169-0.30420.41640.29561.204-0.2320.04340.69390.05870.8262-64.008362.332353.8853
417.7066-1.91714.77865.9101-2.88492.8635-0.7863-0.17920.0471-0.53590.6963-0.3224-0.1030.14160.14711.19670.0662-0.10030.7767-0.08530.8441-58.132762.008663.0017
422.3301-1.6496-8.47312.4467-0.63962.1782-0.18272.1188-2.4917-0.6644-0.51660.75272.1697-1.760.73591.9864-0.1413-0.38221.2457-0.2481.4391-84.124947.794787.5791
438.5093.12.79122.12011.94222.00190.48290.73380.0304-2.62760.76750.931-0.9846-1.005-0.87362.00140.2255-0.24760.76340.00661.0485-89.200660.220287.6147
446.27291.2149-0.40444.63150.15854.10910.7587-0.85950.33921.2485-0.0536-0.4839-0.51650.3406-0.49051.3918-0.0982-0.10970.50750.08630.9131-74.079564.162798.2488
458.13820.1398-0.56515.24710.72949.5094-0.00810.1611-1.18130.55620.45940.1861.48960.3508-0.34991.04830.1534-0.280.65850.12331.0823-69.839455.265190.5137
467.4408-0.44722.23933.7079-1.47036.48670.72080.862-0.56360.1118-0.00290.31770.31650.1926-0.86051.30940.2381-0.16120.5639-0.02820.8264-77.920161.480384.097
472.6512-0.85521.32132.2740.57382.0129-0.71440.45080.8006-0.3408-0.0020.6498-1.235-0.17410.36991.41690.1756-0.22020.68450.10451.0686-78.781267.924291.4284
488.9472-0.74091.66173.6082-0.80034.75160.1660.93831.382-0.234-0.1217-0.0315-0.88820.1008-0.02491.3608-0.027-0.07030.50550.13420.8911-71.899479.908292.7345
496.18410.8714-5.15423.313-2.07314.85881.27690.73930.8441-0.34750.0796-0.7454-0.5061-0.2244-0.77781.40340.2351-0.12240.84020.23821.2071-62.894781.686796.2202
501.22290.66430.80342.57462.06572.30160.09570.15940.45691.41710.2401-1.1442.22630.9228-0.02961.55380.1922-0.24760.77970.07861.1544-59.652368.301596.0633
511.66511.2998-0.0227-0.0101-1.62012.0572-0.18260.0379-0.38010.3988-0.19210.0276-0.45050.25040.38051.74520.1627-0.21570.76860.02481.1996-62.88457.999788.372
529.31631.05781.56133.84390.67243.5691-0.0950.1103-0.10690.18880.13750.41240.2607-0.23170.03561.2063-0.38940.02781.0795-0.06010.7696-109.446137.365430.2904
530.32880.07060.94193.63292.59911.4178-0.38410.83390.2018-2.89630.13360.2783-2.0796-0.30410.15733.5704-0.2554-0.25582.18610.20711.4538-129.537977.58110.9858
548.75988.1634-1.0312.72822.8432.4108-0.7367-1.2386-1.3936-3.04810.3341-0.8886-0.6369-1.07650.52851.9697-0.2509-0.05461.17570.03761.3685-104.942946.303556.7819
556.78950.9103-0.66815.1979-1.17311.91010.3156-1.2099-1.1383-1.3963-0.2490.30761.4204-1.3091-0.23853.0926-1.0457-0.32011.7797-0.09961.7025-124.736640.120756.1104
564.69082.62692.38558.99875.7277.42591.301-0.4011-1.0288-0.42040.3381-0.65532.55620.2011-1.67672.0468-0.13340.02630.8332-0.10031.1728-110.320348.728862.8504
578.80382.05917.07832.33857.62247.368-0.72190.24972.0554-0.0206-0.06741.718-1.6956-0.62750.49031.87290.04880.08090.9914-0.02821.4349-126.400652.566758.9809
585.10543.18983.01998.6282.91013.8352-0.18830.14340.0577-0.56410.438-0.6091-0.1708-0.33890.02011.4272-0.00740.08221.4282-0.09550.9827-110.175761.453470.992
599.0335-3.48342.13517.0993-1.70627.01630.81750.6068-0.1168-1.8434-0.1753-0.2980.4601-0.1386-0.60712.1837-0.43720.13631.0130.05160.8029-112.941459.531653.3773
608.2402-6.00950.33168.4485-4.13515.0993-1.339-0.44340.0862-0.76371.01910.5919-0.89360.70190.54541.4301-0.1159-0.08161.0254-0.13030.9146-114.289164.958963.7588
615.18012.5286-1.40127.104-4.20555.5543-0.69382.4380.1793-2.0444-0.06390.5707-1.0362-2.43670.60152.233-0.242-0.6981.9344-0.2541.221-126.95469.12942.3301
623.1401-1.26936.30276.2831-2.81832.9335-0.53650.53430.4417-0.23390.64030.6232-1.17251.4192-0.6851.4082-0.1754-0.1451.43760.21971.0079-116.697265.857361.3123
634.5035-0.1165-0.27994.69091.18463.53470.40550.84180.3488-1.7162-0.3611-1.1083-1.42650.99990.24132.9387-0.32330.4611.57960.34361.3859-103.329491.835133.4869
645.57360.70031.13744.58940.17450.4398-0.90630.6241-0.6388-1.92980.7591-0.819-1.93820.59960.03053.3969-0.66360.16531.51440.18081.4807-108.213188.153939.0815
658.4029-0.83821.48776.54151.74470.9912-0.47951.60350.3165-2.66621.5002-0.2774-0.5627-0.1101-0.67833.36-0.53210.04481.59610.23211.3012-116.2447106.648743.5231
666.47980.9801-0.34455.01032.03431.13190.2715-0.4150.6568-0.7646-0.4757-0.3086-0.9781-0.08720.25052.8162-0.1231-0.13861.34190.12141.2235-119.272104.695651.0836
675.37042.4452-0.10812.05953.8876.5536-0.0445-0.4795-0.7677-2.30880.24180.63870.9628-2.6561-0.54252.65-0.2087-0.45391.78320.04541.541-127.849695.85741.2821
682.704-2.199-0.53443.8961.99553.764-0.60180.68010.049-0.41590.36970.2759-1.8485-0.00380.33672.8475-0.6144-0.27651.5564-0.02811.128-121.203486.14636.552
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 9 through 41 )
2X-RAY DIFFRACTION2chain 'A' and (resid 42 through 195 )
3X-RAY DIFFRACTION3chain 'A' and (resid 196 through 326 )
4X-RAY DIFFRACTION4chain 'A' and (resid 327 through 589 )
5X-RAY DIFFRACTION5chain 'B' and (resid 12 through 23 )
6X-RAY DIFFRACTION6chain 'B' and (resid 24 through 39 )
7X-RAY DIFFRACTION7chain 'B' and (resid 40 through 118 )
8X-RAY DIFFRACTION8chain 'B' and (resid 119 through 137 )
9X-RAY DIFFRACTION9chain 'B' and (resid 138 through 204 )
10X-RAY DIFFRACTION10chain 'B' and (resid 205 through 243 )
11X-RAY DIFFRACTION11chain 'B' and (resid 244 through 257 )
12X-RAY DIFFRACTION12chain 'C' and (resid 4 through 18 )
13X-RAY DIFFRACTION13chain 'C' and (resid 19 through 39 )
14X-RAY DIFFRACTION14chain 'C' and (resid 40 through 209 )
15X-RAY DIFFRACTION15chain 'C' and (resid 210 through 232 )
16X-RAY DIFFRACTION16chain 'C' and (resid 233 through 278 )
17X-RAY DIFFRACTION17chain 'C' and (resid 279 through 309 )
18X-RAY DIFFRACTION18chain 'D' and (resid 9 through 374 )
19X-RAY DIFFRACTION19chain 'D' and (resid 375 through 589 )
20X-RAY DIFFRACTION20chain 'E' and (resid 12 through 22 )
21X-RAY DIFFRACTION21chain 'E' and (resid 23 through 39 )
22X-RAY DIFFRACTION22chain 'E' and (resid 40 through 68 )
23X-RAY DIFFRACTION23chain 'E' and (resid 69 through 126 )
24X-RAY DIFFRACTION24chain 'E' and (resid 127 through 197 )
25X-RAY DIFFRACTION25chain 'E' and (resid 198 through 208 )
26X-RAY DIFFRACTION26chain 'E' and (resid 209 through 223 )
27X-RAY DIFFRACTION27chain 'E' and (resid 224 through 257 )
28X-RAY DIFFRACTION28chain 'F' and (resid 5 through 61 )
29X-RAY DIFFRACTION29chain 'F' and (resid 62 through 92 )
30X-RAY DIFFRACTION30chain 'F' and (resid 93 through 120 )
31X-RAY DIFFRACTION31chain 'F' and (resid 121 through 152 )
32X-RAY DIFFRACTION32chain 'F' and (resid 153 through 232 )
33X-RAY DIFFRACTION33chain 'F' and (resid 233 through 276 )
34X-RAY DIFFRACTION34chain 'F' and (resid 277 through 309 )
35X-RAY DIFFRACTION35chain 'G' and (resid 9 through 178 )
36X-RAY DIFFRACTION36chain 'G' and (resid 179 through 334 )
37X-RAY DIFFRACTION37chain 'G' and (resid 335 through 404 )
38X-RAY DIFFRACTION38chain 'G' and (resid 405 through 589 )
39X-RAY DIFFRACTION39chain 'H' and (resid 12 through 118 )
40X-RAY DIFFRACTION40chain 'H' and (resid 119 through 220 )
41X-RAY DIFFRACTION41chain 'H' and (resid 221 through 256 )
42X-RAY DIFFRACTION42chain 'I' and (resid 5 through 24 )
43X-RAY DIFFRACTION43chain 'I' and (resid 25 through 40 )
44X-RAY DIFFRACTION44chain 'I' and (resid 41 through 61 )
45X-RAY DIFFRACTION45chain 'I' and (resid 62 through 92 )
46X-RAY DIFFRACTION46chain 'I' and (resid 93 through 140 )
47X-RAY DIFFRACTION47chain 'I' and (resid 141 through 166 )
48X-RAY DIFFRACTION48chain 'I' and (resid 167 through 209 )
49X-RAY DIFFRACTION49chain 'I' and (resid 210 through 232 )
50X-RAY DIFFRACTION50chain 'I' and (resid 233 through 264 )
51X-RAY DIFFRACTION51chain 'I' and (resid 265 through 309 )
52X-RAY DIFFRACTION52chain 'J' and (resid 9 through 244 )
53X-RAY DIFFRACTION53chain 'J' and (resid 245 through 585 )
54X-RAY DIFFRACTION54chain 'K' and (resid 12 through 32 )
55X-RAY DIFFRACTION55chain 'K' and (resid 33 through 49 )
56X-RAY DIFFRACTION56chain 'K' and (resid 50 through 75 )
57X-RAY DIFFRACTION57chain 'K' and (resid 76 through 118 )
58X-RAY DIFFRACTION58chain 'K' and (resid 119 through 139 )
59X-RAY DIFFRACTION59chain 'K' and (resid 140 through 204 )
60X-RAY DIFFRACTION60chain 'K' and (resid 205 through 220 )
61X-RAY DIFFRACTION61chain 'K' and (resid 221 through 234 )
62X-RAY DIFFRACTION62chain 'K' and (resid 235 through 256 )
63X-RAY DIFFRACTION63chain 'L' and (resid 6 through 61 )
64X-RAY DIFFRACTION64chain 'L' and (resid 62 through 152 )
65X-RAY DIFFRACTION65chain 'L' and (resid 153 through 176 )
66X-RAY DIFFRACTION66chain 'L' and (resid 177 through 238 )
67X-RAY DIFFRACTION67chain 'L' and (resid 239 through 264 )
68X-RAY DIFFRACTION68chain 'L' and (resid 265 through 309 )

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