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- PDB-6zej: Structure of PP1-Phactr1 chimera [PP1(7-304) + linker (SGSGS) + P... -

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Basic information

Entry
Database: PDB / ID: 6zej
TitleStructure of PP1-Phactr1 chimera [PP1(7-304) + linker (SGSGS) + Phactr1(526-580)]
ComponentsSerine/threonine-protein phosphatase PP1-alpha catalytic subunit,Phosphatase and actin regulator
KeywordsHYDROLASE / PP1 / Phosphatase / Phactr / RPEL
Function / homology
Function and homology information


regulation of glycogen catabolic process / positive regulation of termination of RNA polymerase II transcription, poly(A)-coupled / PTW/PP1 phosphatase complex / protein phosphatase type 1 complex / glycogen granule / RNA polymerase II promoter clearance / RNA polymerase II CTD heptapeptide repeat S5 phosphatase activity / cadherin binding involved in cell-cell adhesion / protein phosphatase 1 binding / regulation of translational initiation in response to stress ...regulation of glycogen catabolic process / positive regulation of termination of RNA polymerase II transcription, poly(A)-coupled / PTW/PP1 phosphatase complex / protein phosphatase type 1 complex / glycogen granule / RNA polymerase II promoter clearance / RNA polymerase II CTD heptapeptide repeat S5 phosphatase activity / cadherin binding involved in cell-cell adhesion / protein phosphatase 1 binding / regulation of translational initiation in response to stress / positive regulation of extrinsic apoptotic signaling pathway in absence of ligand / dephosphorylation / regulation of canonical Wnt signaling pathway / protein phosphatase inhibitor activity / glycogen metabolic process / protein-serine/threonine phosphatase / branching morphogenesis of an epithelial tube / entrainment of circadian clock by photoperiod / Triglyceride catabolism / Maturation of hRSV A proteins / protein serine/threonine phosphatase activity / phosphatase activity / telomere maintenance in response to DNA damage / phosphoprotein phosphatase activity / negative regulation of transcription elongation by RNA polymerase II / transition metal ion binding / DARPP-32 events / positive regulation of glycogen biosynthetic process / ribonucleoprotein complex binding / protein dephosphorylation / lung development / Downregulation of TGF-beta receptor signaling / adherens junction / circadian regulation of gene expression / positive regulation of transcription elongation by RNA polymerase II / regulation of circadian rhythm / response to lead ion / : / presynapse / actin binding / perikaryon / dendritic spine / protein stabilization / iron ion binding / cell division / synapse / nucleolus / glutamatergic synapse / extracellular exosome / nucleoplasm / nucleus / plasma membrane / cytosol / cytoplasm
Similarity search - Function
RPEL repeat / RPEL repeat / RPEL repeat profile. / Repeat in Drosophila CG10860, human KIAA0680 and C. elegans F26H9.2 / Serine-threonine protein phosphatase, N-terminal / : / Serine-threonine protein phosphatase N-terminal domain / Serine/threonine specific protein phosphatases signature. / Protein phosphatase 2A homologues, catalytic domain. / Serine/threonine-specific protein phosphatase/bis(5-nucleosyl)-tetraphosphatase ...RPEL repeat / RPEL repeat / RPEL repeat profile. / Repeat in Drosophila CG10860, human KIAA0680 and C. elegans F26H9.2 / Serine-threonine protein phosphatase, N-terminal / : / Serine-threonine protein phosphatase N-terminal domain / Serine/threonine specific protein phosphatases signature. / Protein phosphatase 2A homologues, catalytic domain. / Serine/threonine-specific protein phosphatase/bis(5-nucleosyl)-tetraphosphatase / Metallo-dependent phosphatases / Purple Acid Phosphatase; chain A, domain 2 / Calcineurin-like phosphoesterase domain, ApaH type / Calcineurin-like phosphoesterase / Metallo-dependent phosphatase-like / 4-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
: / Serine/threonine-protein phosphatase PP1-alpha catalytic subunit / Phosphatase and actin regulator
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.78 Å
AuthorsMouilleron, S. / Treisman, R. / Fedoryshchak, R. / Lee, R. / Butler, A.M. / Prechova, M.
CitationJournal: Elife / Year: 2020
Title: Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Authors: Fedoryshchak, R.O. / Prechova, M. / Butler, A. / Lee, R. / O'Reilly, N. / Flynn, H.R. / Snijders, A.P. / Eder, N. / Ultanir, S. / Mouilleron, S. / Treisman, R.
History
DepositionJun 16, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Sep 30, 2020Provider: repository / Type: Initial release
Revision 1.1Oct 7, 2020Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.pdbx_database_id_DOI ..._citation.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title
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
D: Serine/threonine-protein phosphatase PP1-alpha catalytic subunit,Phosphatase and actin regulator
A: Serine/threonine-protein phosphatase PP1-alpha catalytic subunit,Phosphatase and actin regulator
F: Serine/threonine-protein phosphatase PP1-alpha catalytic subunit,Phosphatase and actin regulator
I: Serine/threonine-protein phosphatase PP1-alpha catalytic subunit,Phosphatase and actin regulator
L: Serine/threonine-protein phosphatase PP1-alpha catalytic subunit,Phosphatase and actin regulator
O: Serine/threonine-protein phosphatase PP1-alpha catalytic subunit,Phosphatase and actin regulator
hetero molecules


Theoretical massNumber of molelcules
Total (without water)250,36226
Polymers248,9966
Non-polymers1,36620
Water12,142674
1
D: Serine/threonine-protein phosphatase PP1-alpha catalytic subunit,Phosphatase and actin regulator
hetero molecules


Theoretical massNumber of molelcules
Total (without water)41,6093
Polymers41,4991
Non-polymers1102
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
A: Serine/threonine-protein phosphatase PP1-alpha catalytic subunit,Phosphatase and actin regulator
hetero molecules


Theoretical massNumber of molelcules
Total (without water)41,8556
Polymers41,4991
Non-polymers3565
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
F: Serine/threonine-protein phosphatase PP1-alpha catalytic subunit,Phosphatase and actin regulator
hetero molecules


Theoretical massNumber of molelcules
Total (without water)41,7014
Polymers41,4991
Non-polymers2023
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
I: Serine/threonine-protein phosphatase PP1-alpha catalytic subunit,Phosphatase and actin regulator
hetero molecules


Theoretical massNumber of molelcules
Total (without water)41,7014
Polymers41,4991
Non-polymers2023
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
L: Serine/threonine-protein phosphatase PP1-alpha catalytic subunit,Phosphatase and actin regulator
hetero molecules


Theoretical massNumber of molelcules
Total (without water)41,6093
Polymers41,4991
Non-polymers1102
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
O: Serine/threonine-protein phosphatase PP1-alpha catalytic subunit,Phosphatase and actin regulator
hetero molecules


Theoretical massNumber of molelcules
Total (without water)41,8856
Polymers41,4991
Non-polymers3865
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)137.370, 137.370, 238.020
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number170
Space group name H-MP65
Space group name HallP65
Symmetry operation#1: x,y,z
#2: x-y,x,z+5/6
#3: y,-x+y,z+1/6
#4: -y,x-y,z+2/3
#5: -x+y,-x,z+1/3
#6: -x,-y,z+1/2

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Components

#1: Protein
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit,Phosphatase and actin regulator / PP-1A


Mass: 41499.309 Da / Num. of mol.: 6 / Mutation: N-terminal Vector derived sequence GHMGS
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: PPP1CA, PPP1A, PHACTR1, hCG_1818446 / Production host: Escherichia coli (E. coli)
References: UniProt: P62136, UniProt: Q4VY12, protein-serine/threonine phosphatase
#2: Chemical
ChemComp-MN / MANGANESE (II) ION


Mass: 54.938 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: Mn
#3: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C3H8O3
#4: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C2H6O2
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 674 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN

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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: 2.69 Å3/Da / Density % sol: 54.23 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8.4 / Details: 20% PEG 3350, 0.2M Potassium Citrate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I04-1 / Wavelength: 0.911 Å
DetectorType: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Nov 29, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.911 Å / Relative weight: 1
ReflectionResolution: 1.78→68.68 Å / Num. obs: 241814 / % possible obs: 99.7 % / Redundancy: 20.7 % / Biso Wilson estimate: 26.42 Å2 / CC1/2: 1 / Rmerge(I) obs: 0.17 / Rpim(I) all: 0.04 / Rrim(I) all: 0.18 / Net I/σ(I): 12.9
Reflection shellResolution: 1.78→1.84 Å / Redundancy: 21 % / Rmerge(I) obs: 3.18 / Mean I/σ(I) obs: 1.1 / Num. unique obs: 24087 / CC1/2: 0.54 / Rpim(I) all: 0.7 / Rrim(I) all: 3.26 / % possible all: 99.6

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Processing

Software
NameVersionClassification
PHENIX1.18_3845refinement
PHENIX1.18_3845refinement
xia2data reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4MOV

4mov


Resolution: 1.78→68.68 Å / SU ML: 0.2931 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 32.8105
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2714 12173 5.04 %
Rwork0.2418 229225 -
obs0.2433 241398 99.72 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 41.03 Å2
Refinement stepCycle: LAST / Resolution: 1.78→68.68 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms16660 0 58 674 17392
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.010617102
X-RAY DIFFRACTIONf_angle_d0.839623135
X-RAY DIFFRACTIONf_chiral_restr0.05232501
X-RAY DIFFRACTIONf_plane_restr0.00563025
X-RAY DIFFRACTIONf_dihedral_angle_d21.91346307
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.78-1.80.38743940.36117623X-RAY DIFFRACTION99.52
1.8-1.820.4154590.3537543X-RAY DIFFRACTION99.6
1.82-1.840.38964230.34817611X-RAY DIFFRACTION99.63
1.84-1.870.37363900.34537606X-RAY DIFFRACTION99.76
1.87-1.890.36383960.33297602X-RAY DIFFRACTION99.63
1.89-1.920.34543960.32197635X-RAY DIFFRACTION99.7
1.92-1.940.33794110.31567695X-RAY DIFFRACTION99.83
1.94-1.970.32294400.3117581X-RAY DIFFRACTION99.7
1.97-20.36113680.30177652X-RAY DIFFRACTION99.45
2-2.040.33693980.31067672X-RAY DIFFRACTION99.75
2.04-2.070.31833960.30637625X-RAY DIFFRACTION99.81
2.07-2.110.32874130.28687633X-RAY DIFFRACTION99.89
2.11-2.150.29524110.28217668X-RAY DIFFRACTION99.9
2.15-2.190.30674140.27497583X-RAY DIFFRACTION99.8
2.2-2.240.30014350.27727652X-RAY DIFFRACTION99.9
2.24-2.290.3074320.27147623X-RAY DIFFRACTION99.84
2.29-2.350.32364050.27197617X-RAY DIFFRACTION99.84
2.35-2.420.31133610.27047706X-RAY DIFFRACTION99.93
2.42-2.490.32333950.26017653X-RAY DIFFRACTION99.8
2.49-2.570.27844190.25887676X-RAY DIFFRACTION99.82
2.57-2.660.29884310.25187557X-RAY DIFFRACTION99.9
2.66-2.770.28943770.25127721X-RAY DIFFRACTION99.99
2.77-2.890.28643700.24427674X-RAY DIFFRACTION99.9
2.89-3.040.28994060.24247681X-RAY DIFFRACTION99.9
3.04-3.230.25964370.23257630X-RAY DIFFRACTION99.9
3.23-3.480.24154270.21877635X-RAY DIFFRACTION99.93
3.48-3.830.21543860.20087733X-RAY DIFFRACTION99.98
3.83-4.390.20093970.17457675X-RAY DIFFRACTION99.96
4.39-5.530.20294200.18477702X-RAY DIFFRACTION99.9
5.53-68.680.25993660.23477561X-RAY DIFFRACTION97.25
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)
10.2049649688190.0059837953629-0.03135683110550.00512739266651-0.0253395246930.2182958041080.1144920181510.00559586289995-0.0380309877378-0.004411184245290.1319202008690.220753149265-0.0905762761754-0.1596148891520.4424559892350.587632445262-0.0226638730581-0.2349940150.1589847952420.0990345422590.35074702611862.2703554553-9.13583814116-15.3088990909
20.3146043905740.210052195472-0.0289912995360.52320081816-0.2873813218860.6284398352690.0152146039254-0.059639582212-0.167575325302-0.137570441245-0.1352912213030.0453617022119-0.3046231288580.120276153848-0.001591348848120.483902105181-0.103210125058-0.1474498020090.3151506111370.09578985151380.392741548869.9909923229-19.1958295783-7.79458586189
30.6951951599620.590784513906-0.1913880003680.6157086024190.1251107788971.012099176590.0148647131923-0.192371637507-0.1110370517280.0098567567455-0.208690730461-0.0362511381584-0.3809913998410.118855373605-0.01608806032170.40852224467-0.103765963735-0.1349980141910.4331450313270.1200014150310.38955752730670.8925209345-20.9841709723.0708439432
40.151649659977-0.02844058564510.04615167082250.00587054508102-0.01017743862670.01646699263810.0621984139477-0.181991356432-0.1690614395610.0745340449228-0.0749707491333-0.0206931285127-0.04913611110010.1833084891930.4359023023270.314419251788-0.208582547728-0.1945764731470.754416612680.3980370581830.59490084355687.4444897715-26.182528983810.5961773955
50.110136373889-0.03371737540770.04719632866230.4909360409040.09345399460330.052006591382-0.0187492877652-0.0685342981649-0.196003276014-0.000271446940226-0.0471678682262-0.258650252109-0.1343496629460.30777179620.02615895663730.362120275427-0.260484215974-0.1518521153760.5754196570760.2302158097530.47642501542287.6781097069-20.3229204546-2.10676345766
60.307013966125-0.08447453825350.2496430464660.3478157960530.1514018624120.3598238924730.181264386733-0.128074284692-0.310501133431-0.0149866763605-0.241471360808-0.0527891057373-0.005763762847070.396162528266-0.04359037577550.568951432747-0.189884331125-0.1194908294250.4232188916480.1219513542070.46134887232984.3437004187-17.0387853353-8.09400226692
70.2431796231550.05109526650230.1696226440120.09917872480680.03411623057910.1026760362270.0537054985806-0.2859203053730.09991399892170.337481574769-0.182524983673-0.296783626018-0.3420436327670.2975365780570.002465056526950.649876817543-0.163642058924-0.0647578403030.6112636538120.05826563757120.40420606975880.1170788486-5.33509995949-5.21367239157
80.26926632187-0.242271690887-0.0860755521670.3921310983450.06587836718810.0421448661811-0.0128775275477-0.3248803892230.01620629304830.148788941675-0.1660788672680.358717727809-0.711086308473-0.4214268100210.00222415496610.672230041313-0.0409485755449-0.0745830222340.562584782393-0.07734104692020.40770404809462.0526008-16.464466384317.00710228
90.147489211310.0633762514881-0.03832774062360.0289757262392-0.01860203611880.008468444663160.0796424267087-0.03459939158760.1234184770550.15005267748-0.090491739129-0.000203459813963-0.1169861996080.1483116786240.236415894510.395868858115-0.546558219113-0.09492428264240.3319402390330.3482985466110.36149809103623.173501342119.272472134923.3214606158
100.694291033089-0.0205263258038-0.4270647645560.355678019398-0.08451099878820.340660368336-0.2416087335520.248956268890.145757198674-0.06068335016180.05717730871560.0766734255644-0.261743678730.497265928738-0.05804367901370.208074461222-0.147209112626-0.04320511502230.438201836360.09573871108030.27447432424518.69144054097.3290040761730.4325435462
111.07741328966-0.134130336003-0.3513475342270.492659076064-0.02417572860430.927693040228-0.2198412969030.007176303654530.1035733493080.07076109324250.09507628742570.0709957236608-0.3021762844550.501992872013-0.04840358356720.203814860842-0.117356692995-0.05132363073460.2235612930690.08485620707330.25588091274616.535049557.8350008625238.7878836109
120.04956915123620.05029309955820.1436709246780.05039102499590.1432175742250.420788309892-0.170195443635-0.180953996243-0.2631984987070.0169448014314-0.0326196437160.1280018806960.3252541447740.43802438423-0.08201688026430.1848571504520.07704219029910.03988604288880.2972511051990.09082721745470.29200314934917.4130287654-1.8247397131149.1977442401
130.2289264518520.00901618146781-0.2084202907540.012791428575-0.003778655272420.192486137-0.160106040931-0.24157351109-0.08462668325630.0721682165460.0104361644492-0.009637800699920.2201787691860.323583851164-0.1589835399130.3076104105650.2229058740890.1397354147570.2965875561520.1286961839880.36046616444621.1402208082-10.847332975849.1060006829
140.426641522788-0.002967640075020.05841988665620.1206071165390.1600837517170.569689161163-0.2007902837120.0827261688-0.346770745864-0.07359195181970.148360899089-0.2192184272430.4196069333740.6552790873480.05136897227150.305092561220.1272250723150.07025454612050.4758535367140.04951780021860.33171936349726.7448849218-8.1094182406536.7752757669
150.119061661657-0.1071496646910.1482207041890.241659223473-0.08793404108040.192307610703-0.0759211279606-0.15679702423-0.0744051710373-0.117522613633-0.0710335085115-0.1761219187860.1760483889930.524496292373-0.002728826834330.296160401512-0.01520634071110.04303372061770.654442899826-0.0008999914857620.34498052267228.7317004483-3.1802309904631.0564293215
160.357935461477-0.1881796671110.4781963494550.100126504215-0.2500232319810.633919505219-0.03606939969750.2073328578660.115023561929-0.0762446888608-0.216102247715-0.05099545093380.01003834938730.716725658302-0.1258484035870.247646983419-0.1398553301750.02702261644560.6855957887390.0655391610640.38585908689335.13363521735.8083658312833.7944361208
170.01219106126720.0196280526519-0.003451563234540.04539691356520.01495863196410.03505808552590.0273527816037-0.1890314375470.3198429192490.107581134399-0.0241193028146-0.249490541456-0.3186897938330.4134505083992.15682878565E-50.410938049681-0.141613477217-0.03747007011430.3853569241690.03874648286340.36223042507720.340736040719.719441878856.1629907879
180.380339408230.00800969175189-0.3689371054840.00343499130019-0.008267868360190.358015273622-0.0889619209415-0.5773450614080.4717860807260.1553126439470.03231763314750.169606751149-0.5053652820680.09697585652010.03285844272610.274419452042-0.00250523237201-0.03637818953980.3272943300320.04248951655410.32491667519610.64945532111.957924574654.1590348564
190.09325090981130.0404010285234-0.061093226650.032253067849-0.01176300977380.06306414631480.0672600414654-0.01812852154790.03959235185650.1556439096870.04160263982330.0437995646372-0.2040290301390.08224370782710.4770386912150.623972877527-0.377904169611-0.1829366338780.8506770990190.4958994975960.53596690139392.2024685734-19.43172531223.8856987348
200.687148916226-0.676278553323-0.4106847472481.002874527720.5077504260620.295148116443-0.1547104108220.3949265076420.211350553758-0.170038371278-0.09365575377720.145424252898-0.4414750520580.22494947079-0.3194950047070.414725568575-0.146649773017-0.1016588466980.5636872034970.1907034151790.38575440521382.1995108322-29.76049387234.5090001176
210.2004147556930.0493988533459-0.02010633263960.0420893784816-0.03263804138350.025054532684-0.104466229810.196912894526-0.0581621563355-0.05724417694280.07738881466520.0147911260793-0.1130728661960.1996612418570.331524243450.275497181901-0.391715621015-0.1165899375930.908967763760.3192223070430.42033355219993.0862956221-32.101390160928.6024285244
220.710036832035-0.374374280348-0.2193565760430.516279497864-0.3310417022510.723762050676-0.1850850276370.1921859533980.1271562113960.1569861129280.05516362432790.112710169584-0.5144375393150.236011259591-0.0431976201250.43300920977-0.154913779832-0.0833749300730.5474675888060.2289648082990.4145586889985.9920315511-30.002027371540.2775026816
230.192866177845-0.04063843717820.1801236334320.1006695725830.1418384057980.434779886636-0.20823062216-0.0580509048634-0.1341715361740.1071009751190.1491497744410.3236200714820.04412330133950.297193844745-4.66846236059E-50.2277617650610.06968759597360.05550173331070.4589977646340.198058607540.43522720113388.8828038719-43.836665151250.7054064014
240.795416522230.21971137179-0.0475569872531.21990689197-0.5345511269760.249335620776-0.1844204277950.587518216793-0.23076973488-0.3135223045910.250644303977-0.1070709458150.1110061817520.46206156766-0.1265222418030.23922818919-0.0753304647366-0.02055269252720.8453874859530.1624981895140.37759772274495.9751712488-44.98306336135.7214088216
250.2748883616270.007401858184680.1712204510990.196138760741-0.2085184813980.309456475012-0.08233210912250.358817135410.1609037909870.359027918066-0.0701861596951-0.218906590072-0.3123169693140.2428526284130.0003118074622540.696429453725-0.214789783346-0.08733198493850.8534130452040.1718210062750.45705119522899.4631712948-27.576661500442.5273226976
260.04819096513180.0360189198946-0.04362758198440.06630121273970.007154100834550.0770497568018-0.0495463393436-0.1977475044590.359167957172-0.0194215896872-0.1592953306180.0130151156036-0.6389170985130.222792670761-4.00933653796E-50.614764456190.0285406249211-0.1095457083630.5167296299360.09466552608730.46566016001881.0989058037-25.327172198355.9575370747
270.5539576892660.436360624479-0.1539229718090.604993159817-0.1231432698510.777826885090.110167713636-0.1077995136230.183085303627-0.11774283234-0.132670210552-0.1040342450810.157456870416-0.470016600315-0.006016774055980.474988900108-0.1822094389990.1584705517720.45879576007-0.1113052220840.39333439447949.8861713826-51.534724136810.4717421123
280.7591816446920.1350347421890.7077951439060.6411798951640.1866178030191.38655074378-0.0396228157415-0.1818088512980.0877176993529-0.413875495941-0.0702529634878-0.1990023705730.412537311168-0.336121221488-0.04116676149080.67443412496-0.07056190278460.2521834791380.310259136783-0.02615361791380.42612723314556.8502404087-53.5642434777-3.50673126698
292.49625390310.350505851955-0.4968010629630.9620990754220.3372353724990.959937528760.22117909925-0.183848445733-0.0255336345197-0.0947733487595-0.0654877759206-0.3393007102740.5008874112640.005246474003460.1729441061490.869373686779-0.1372259693770.2451709454230.249690837836-0.01975282722350.49215786834360.7599792678-66.3480466884.18245235045
300.1219587520860.0179478061453-0.06384630517020.1849599794310.1001206712270.1166957295440.07369122676810.39755670711-0.374563649623-0.352780438070.0481856218420.02260320698780.497267721024-0.1345106224950.0004773190078650.898787779015-0.2673838512250.08372882706280.617160940705-0.04184326038240.46291997785546.2230411867-67.5472192265.79840394398
310.0567087250507-0.04393197676060.02908246828650.0326779946162-0.0212076567440.01828603107040.09374838940050.0697684196768-0.101481174101-0.1452029316480.1294549981820.3183526743460.19468335971-0.2742459509670.001318459987690.591615264658-0.0956604044739-0.02464352933050.832921000402-0.1061344900320.415001975641.1399986524-47.3006191815-17.0202604393
320.0550316449736-0.020249549724-0.01993694659410.0440127884508-0.04676174343760.08263459295520.03148839655140.1462327229840.384982067465-0.359452758855-0.1161798996110.2351181278950.014687608232-0.2364117898980.0002437387714550.629579841005-0.02148535652320.009303614767950.447327703736-0.1194921215740.42946766242753.134844154-42.4130857782-14.6720652736
330.215438823332-0.0603989779525-0.1359550543510.2409622105780.127540385640.142083595997-0.165476754776-0.3765724132360.2616574771310.05819885119250.0715274585513-0.128526284421-0.242360421851-0.221502807792-0.3485547621760.4005497437350.303282301398-0.128344966760.715571957111-0.3377272229870.48927252842851.7728184019-26.960868797649.4320940899
340.0217705241460.01535851316350.0278383377780.00973252869350.004020138597680.0630642936633-0.216860778017-0.3618284196660.03714749682330.09606374261990.079606754321-0.167535420744-0.0326621443035-0.2665057901110.1030636266760.2820900368820.299503940958-0.04775425017860.781520323616-0.3619757264690.42844491291647.9999490291-31.628145116748.9567010187
350.7042083331940.3392656454720.03702325068420.353196161977-0.3181289944280.771038315392-0.1695882401310.02271285378230.007993695544790.1678909581380.0804064862079-0.0983747947981-0.19956096529-0.1635424000024.80491859211E-60.3698535577970.0594852672953-0.007234677111450.525955324175-0.1710635854110.42450797160451.7203198425-34.957414869334.349288638
360.02137162149780.06779576759120.1020037118160.212590397810.3270436251080.512481720666-0.03988882169630.0184158723268-0.1295083927890.05527441288840.158286081959-0.2377676438620.2148096523290.07183080174440.009056184735760.286065062895-0.09079719723340.07943987802280.522676624074-0.2101288924730.44274463757847.0141935746-50.11829027129.256335275
370.3292990420260.0431090381805-0.5675670101850.328285706866-0.02218175775471.00044765359-0.146748675776-0.316472026026-0.240734857090.1678123495360.277300223275-0.08186283014240.347524426041-0.3867444024280.05675359852620.2794771030230.0622683736149-0.05555264610130.663983499566-0.172613205980.39011610797342.8465279984-47.632064876841.6859461295
380.515032203471-0.1625382661730.6264614905380.7828373365550.2274663631.03304022737-0.183543655688-0.2322949431610.04491110303730.2211269623050.277406335699-0.01508817457510.213904005566-0.239993825498-0.1123758329040.2584918959760.170649780951-0.04144609621120.769467312691-0.1576735583260.40633547106240.1142518897-42.425000802547.6472278832
390.1547781027920.06216793864150.09985346773740.143782725870.1508690020030.1571123326010.106359524481-0.179462060624-0.0420645724502-0.0156573938326-0.1091842924760.1425819728250.181287264844-0.3733574837580.009343127272290.5196708910730.215537499364-0.0109910400590.873295583783-0.1585054855980.43774442627633.3675488658-33.014949294844.5890643806
400.009242273762110.00354934745361-0.004413013640180.0482669248095-0.002188364758810.03003100967590.04676768085880.06291259251270.175927727861-0.058188983701-0.04660359713510.22556024614-0.141383248034-0.02303693376343.15932349064E-50.7035732555520.113815479577-0.03123431038250.532239841464-0.1158810807010.48101348012948.5534724285-19.978751508522.4735263398
410.0535211516701-0.00338575493246-0.06988550565850.0938425234309-0.006805314631260.0911582595135-0.07110568190310.2796937545390.487517888282-0.1860733333470.0686644045188-0.053731970832-0.38864672428-0.1674212113170.0001291639485180.45716941730.0461149293011-0.1046694347710.495752038984-0.07465305080620.55932156224458.3277620848-27.817955250824.5232201589
420.0459445282664-0.1295508666230.05717903511880.400150733823-0.1346572233470.195140838380.02727539850310.03409381030330.0310900259180.01427754828170.06878539435510.2615565634850.157497991891-0.3276682538320.1600125255760.150247006834-0.1854637800750.122045997120.628227910478-0.2164452613460.37197155988107.880451721-8.7502039479614.6766909475
430.2905086766990.25392185749-0.1734085724040.406147079687-0.0642955334150.543160910069-0.0420711760287-0.2324149506750.1048854755460.0155213358578-0.169726934024-0.001099743465680.128112657864-0.364977570094-0.003927232789570.193582653405-0.03088675176820.0406541398790.276725300642-0.09105284053630.299989527678122.023774529-6.393779366324.420383718
440.7476881980.5729040073310.4264574529440.469086662280.3428906195340.2612203823950.14074466493-0.166009172912-0.2205313121310.20196552057-0.2524418901590.03551996300780.449611900249-0.329793362077-0.07482231710790.27304035253-0.1930728751860.08205087185490.351258090088-0.08053005932830.255878580646118.338412589-16.865489919510.2842086307
450.4423816795020.3951278397360.03614483068590.7438172146160.1857608305281.74342439702-0.0694809918315-0.180372475076-0.0145216012334-0.0608633302353-0.206217585083-0.05688655145560.608133885852-0.328665180959-0.1649980448940.225276539851-0.001636724373890.09391003218390.182172785839-0.01835140667750.28716410297125.291470295-15.7137782841-3.8233728287
460.0703333672109-0.0688839040696-0.0690520797690.181459866281-0.004842788886650.114945991322-0.294029352622-0.124550349482-0.2444515123120.162651989246-0.038275502664-0.1607421452120.505154332486-0.006375523845760.0004099825098890.524341899719-0.04230505627280.06338052608730.4073077279630.07286678770840.411032655043125.439262077-25.01644233627.61431281936
470.00457501844562-0.0305690113849-0.02387743341340.3782334915730.2736799576470.198816912369-0.1924331299410.0402781596731-0.1891678525780.274780363732-0.2106335912110.06259488547550.608062386997-0.228488581271-0.01996359374410.574339834062-0.2085460568160.1469594676560.519857445132-0.02791640124270.480560972683113.933988544-27.15701654915.24258222323
480.0342656224101-0.0169071496713-0.03990599930940.0118301401425-0.02549376910120.548490365949-0.08310054455850.325571217783-0.0311710835274-0.234879377358-0.04220556476020.4645371700840.357029412769-0.438539686115-0.009215276990570.284732035259-0.0534863265882-0.03468860731930.654232625877-0.1606094077770.393015421991107.494533053-8.64494424189-18.3121919102
490.05804452762540.00318507004815-0.07514865162740.192264286636-0.06825338233130.130681837434-0.159017381630.1156469275490.574929327613-0.303442798887-0.07232437077980.412415071965-0.173396284769-0.4659630084910.0004075952457030.2693815432180.0195566508958-0.010334072460.291723252203-0.07416891798720.331380321475119.312302983-2.83564399032-16.579476241
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'D' and (resid 6 through 30 )DA6 - 301 - 25
22chain 'D' and (resid 31 through 98 )DA31 - 9826 - 93
33chain 'D' and (resid 99 through 214 )DA99 - 21494 - 211
44chain 'D' and (resid 215 through 238 )DA215 - 238212 - 235
55chain 'D' and (resid 239 through 270 )DA239 - 270236 - 267
66chain 'D' and (resid 271 through 289 )DA271 - 289268 - 286
77chain 'D' and (resid 290 through 330 )DA290 - 330287 - 316
88chain 'D' and (resid 331 through 364 )DA331 - 364317 - 350
99chain 'A' and (resid 6 through 30 )AD6 - 301 - 25
1010chain 'A' and (resid 31 through 98 )AD31 - 9826 - 93
1111chain 'A' and (resid 99 through 186 )AD99 - 18694 - 183
1212chain 'A' and (resid 187 through 214 )AD187 - 214184 - 211
1313chain 'A' and (resid 215 through 238 )AD215 - 238212 - 235
1414chain 'A' and (resid 239 through 270 )AD239 - 270236 - 267
1515chain 'A' and (resid 271 through 289 )AD271 - 289268 - 286
1616chain 'A' and (resid 290 through 330 )AD290 - 330287 - 316
1717chain 'A' and (resid 331 through 347 )AD331 - 347317 - 333
1818chain 'A' and (resid 348 through 364 )AD348 - 364334 - 350
1919chain 'F' and (resid 6 through 30 )FJ6 - 301 - 25
2020chain 'F' and (resid 31 through 67 )FJ31 - 6726 - 62
2121chain 'F' and (resid 68 through 98 )FJ68 - 9863 - 93
2222chain 'F' and (resid 99 through 186 )FJ99 - 18694 - 183
2323chain 'F' and (resid 187 through 238 )FJ187 - 238184 - 235
2424chain 'F' and (resid 239 through 289 )FJ239 - 289236 - 286
2525chain 'F' and (resid 290 through 347 )FJ290 - 347287 - 333
2626chain 'F' and (resid 348 through 364 )FJ348 - 364334 - 350
2727chain 'I' and (resid 5 through 98 )IN5 - 981 - 94
2828chain 'I' and (resid 99 through 237 )IN99 - 23795 - 233
2929chain 'I' and (resid 238 through 289 )IN238 - 289234 - 285
3030chain 'I' and (resid 290 through 330 )IN290 - 330286 - 317
3131chain 'I' and (resid 331 through 347 )IN331 - 347318 - 334
3232chain 'I' and (resid 348 through 364 )IN348 - 364335 - 351
3333chain 'L' and (resid 6 through 67 )LR6 - 671 - 62
3434chain 'L' and (resid 68 through 126 )LR68 - 12663 - 121
3535chain 'L' and (resid 127 through 214 )LR127 - 214122 - 209
3636chain 'L' and (resid 215 through 237 )LR215 - 237210 - 232
3737chain 'L' and (resid 238 through 270 )LR238 - 270233 - 265
3838chain 'L' and (resid 271 through 289 )LR271 - 289266 - 284
3939chain 'L' and (resid 290 through 330 )LR290 - 330285 - 314
4040chain 'L' and (resid 331 through 347 )LR331 - 347315 - 331
4141chain 'L' and (resid 348 through 364 )LR348 - 364332 - 348
4242chain 'O' and (resid 5 through 30 )OU5 - 301 - 26
4343chain 'O' and (resid 31 through 67 )OU31 - 6727 - 63
4444chain 'O' and (resid 68 through 98 )OU68 - 9864 - 94
4545chain 'O' and (resid 99 through 270 )OU99 - 27095 - 268
4646chain 'O' and (resid 271 through 289 )OU271 - 289269 - 287
4747chain 'O' and (resid 290 through 330 )OU290 - 330288 - 319
4848chain 'O' and (resid 331 through 347 )OU331 - 347320 - 336
4949chain 'O' and (resid 348 through 364 )OU348 - 364337 - 353

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