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- PDB-7po7: Phosphoglycolate phosphatase from Mus musculus -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 7po7
TitlePhosphoglycolate phosphatase from Mus musculus
ComponentsGlycerol-3-phosphate phosphatase
KeywordsHYDROLASE / PGP / Glycerol-3-phosphate phosphatase / AUM / Apo-enzyme
Function / homology
Function and homology information


glycerol-1-phosphatase / sn-glycerol 3-phosphatase activity / sn-glycerol 1-phosphatase activity / glycerophospholipid metabolic process / ADP phosphatase activity / phosphoglycolate phosphatase activity / glycerol biosynthetic process / negative regulation of gluconeogenesis / protein-tyrosine-phosphatase / protein tyrosine phosphatase activity / magnesium ion binding
Similarity search - Function
2-phosphoglycolate phosphatase, eukaryotic / HAD-superfamily hydrolase, subfamily IIA / Haloacid dehalogenase-like hydrolase / HAD-hyrolase-like / HAD superfamily/HAD-like / HAD superfamily / HAD-like superfamily / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
ACETATE ION / Glycerol-3-phosphate phosphatase
Similarity search - Component
Biological speciesMus musculus (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.31 Å
AuthorsSchloetzer, J. / Schindelin, H. / Fratz, S.
Funding support1items
OrganizationGrant numberCountry
Not funded
CitationJournal: Nat Commun / Year: 2022
Title: Glycolytic flux control by drugging phosphoglycolate phosphatase.
Authors: Jeanclos, E. / Schlotzer, J. / Hadamek, K. / Yuan-Chen, N. / Alwahsh, M. / Hollmann, R. / Fratz, S. / Yesilyurt-Gerhards, D. / Frankenbach, T. / Engelmann, D. / Keller, A. / Kaestner, A. / ...Authors: Jeanclos, E. / Schlotzer, J. / Hadamek, K. / Yuan-Chen, N. / Alwahsh, M. / Hollmann, R. / Fratz, S. / Yesilyurt-Gerhards, D. / Frankenbach, T. / Engelmann, D. / Keller, A. / Kaestner, A. / Schmitz, W. / Neuenschwander, M. / Hergenroder, R. / Sotriffer, C. / von Kries, J.P. / Schindelin, H. / Gohla, A.
History
DepositionSep 8, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Dec 21, 2022Provider: repository / Type: Initial release
Revision 1.1Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id
Revision 1.2Jul 3, 2024Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.3Oct 23, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Glycerol-3-phosphate phosphatase
B: Glycerol-3-phosphate phosphatase
C: Glycerol-3-phosphate phosphatase
D: Glycerol-3-phosphate phosphatase
E: Glycerol-3-phosphate phosphatase
F: Glycerol-3-phosphate phosphatase
G: Glycerol-3-phosphate phosphatase
H: Glycerol-3-phosphate phosphatase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)279,14740
Polymers276,4848
Non-polymers2,66232
Water5,170287
1
A: Glycerol-3-phosphate phosphatase
B: Glycerol-3-phosphate phosphatase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)69,6168
Polymers69,1212
Non-polymers4946
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4500 Å2
ΔGint-45 kcal/mol
Surface area25150 Å2
MethodPISA
2
C: Glycerol-3-phosphate phosphatase
D: Glycerol-3-phosphate phosphatase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)69,89211
Polymers69,1212
Non-polymers7719
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5250 Å2
ΔGint-41 kcal/mol
Surface area25540 Å2
MethodPISA
3
E: Glycerol-3-phosphate phosphatase
F: Glycerol-3-phosphate phosphatase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)69,80410
Polymers69,1212
Non-polymers6838
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4730 Å2
ΔGint-49 kcal/mol
Surface area26190 Å2
MethodPISA
4
G: Glycerol-3-phosphate phosphatase
H: Glycerol-3-phosphate phosphatase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)69,83611
Polymers69,1212
Non-polymers7159
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4860 Å2
ΔGint-50 kcal/mol
Surface area22880 Å2
MethodPISA
Unit cell
Length a, b, c (Å)84.262, 91.197, 101.317
Angle α, β, γ (deg.)103.457, 89.980, 104.632
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
41
51
61
71

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ARGARGPROPRO(chain 'A' and (resid 12 through 103 or resid 105...AA12 - 8912 - 89
12LEULEUTYRTYR(chain 'A' and (resid 12 through 103 or resid 105...AA96 - 10396 - 103
13SERSERASNASN(chain 'A' and (resid 12 through 103 or resid 105...AA105 - 199105 - 199
14ASPASPVALVAL(chain 'A' and (resid 12 through 103 or resid 105...AA201 - 219201 - 219
15ALAALAARGARG(chain 'A' and (resid 12 through 103 or resid 105...AA221 - 238221 - 238
16ILEILEASPASP(chain 'A' and (resid 12 through 103 or resid 105...AA240 - 242240 - 242
17VALVALLEULEU(chain 'A' and (resid 12 through 103 or resid 105...AA244 - 319244 - 319
21ARGARGPROPRO(chain 'B' and (resid 12 through 89 or resid 96...BB12 - 8912 - 89
22LEULEUTYRTYR(chain 'B' and (resid 12 through 89 or resid 96...BB96 - 10396 - 103
23SERSERASNASN(chain 'B' and (resid 12 through 89 or resid 96...BB105 - 199105 - 199
24ASPASPVALVAL(chain 'B' and (resid 12 through 89 or resid 96...BB201 - 219201 - 219
25ALAALAARGARG(chain 'B' and (resid 12 through 89 or resid 96...BB221 - 238221 - 238
26ILEILEASPASP(chain 'B' and (resid 12 through 89 or resid 96...BB240 - 242240 - 242
27VALVALLEULEU(chain 'B' and (resid 12 through 89 or resid 96...BB244 - 319244 - 319
31ARGARGPROPRO(chain 'C' and (resid 12 through 89 or resid 96...CC12 - 8912 - 89
32LEULEUTYRTYR(chain 'C' and (resid 12 through 89 or resid 96...CC96 - 10396 - 103
33SERSERASNASN(chain 'C' and (resid 12 through 89 or resid 96...CC105 - 199105 - 199
34ASPASPVALVAL(chain 'C' and (resid 12 through 89 or resid 96...CC201 - 219201 - 219
35ALAALAARGARG(chain 'C' and (resid 12 through 89 or resid 96...CC221 - 238221 - 238
36ILEILEASPASP(chain 'C' and (resid 12 through 89 or resid 96...CC240 - 242240 - 242
37VALVALLEULEU(chain 'C' and (resid 12 through 89 or resid 96...CC244 - 319244 - 319
41ARGARGPROPRO(chain 'D' and (resid 12 through 89 or resid 96...DD12 - 8912 - 89
42LEULEUTYRTYR(chain 'D' and (resid 12 through 89 or resid 96...DD96 - 10396 - 103
43SERSERASNASN(chain 'D' and (resid 12 through 89 or resid 96...DD105 - 199105 - 199
44ASPASPVALVAL(chain 'D' and (resid 12 through 89 or resid 96...DD201 - 219201 - 219
45ALAALAARGARG(chain 'D' and (resid 12 through 89 or resid 96...DD221 - 238221 - 238
46ILEILEASPASP(chain 'D' and (resid 12 through 89 or resid 96...DD240 - 242240 - 242
47VALVALLEULEU(chain 'D' and (resid 12 through 89 or resid 96...DD244 - 319244 - 319
51ARGARGPROPRO(chain 'E' and (resid 12 through 89 or resid 96...EE12 - 8912 - 89
52LEULEUTYRTYR(chain 'E' and (resid 12 through 89 or resid 96...EE96 - 10396 - 103
53SERSERASNASN(chain 'E' and (resid 12 through 89 or resid 96...EE105 - 199105 - 199
54ASPASPVALVAL(chain 'E' and (resid 12 through 89 or resid 96...EE201 - 219201 - 219
55ALAALAARGARG(chain 'E' and (resid 12 through 89 or resid 96...EE221 - 238221 - 238
56ILEILEASPASP(chain 'E' and (resid 12 through 89 or resid 96...EE240 - 242240 - 242
57VALVALLEULEU(chain 'E' and (resid 12 through 89 or resid 96...EE244 - 319244 - 319
61ARGARGPROPRO(chain 'F' and (resid 12 through 89 or resid 96...FF12 - 8912 - 89
62LEULEUTYRTYR(chain 'F' and (resid 12 through 89 or resid 96...FF96 - 10396 - 103
63SERSERASNASN(chain 'F' and (resid 12 through 89 or resid 96...FF105 - 199105 - 199
64ASPASPVALVAL(chain 'F' and (resid 12 through 89 or resid 96...FF201 - 219201 - 219
65ALAALAARGARG(chain 'F' and (resid 12 through 89 or resid 96...FF221 - 238221 - 238
66ILEILEASPASP(chain 'F' and (resid 12 through 89 or resid 96...FF240 - 242240 - 242
67VALVALLEULEU(chain 'F' and (resid 12 through 89 or resid 96...FF244 - 319244 - 319
71ARGARGPROPRO(chain 'H' and (resid 12 through 89 or resid 96...HH12 - 8912 - 89
72LEULEUTYRTYR(chain 'H' and (resid 12 through 89 or resid 96...HH96 - 10396 - 103
73SERSERASNASN(chain 'H' and (resid 12 through 89 or resid 96...HH105 - 199105 - 199
74ASPASPVALVAL(chain 'H' and (resid 12 through 89 or resid 96...HH201 - 219201 - 219
75ALAALAARGARG(chain 'H' and (resid 12 through 89 or resid 96...HH221 - 238221 - 238
76ILEILEASPASP(chain 'H' and (resid 12 through 89 or resid 96...HH240 - 242240 - 242
77VALVALLEULEU(chain 'H' and (resid 12 through 89 or resid 96...HH244 - 319244 - 319

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Components

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Protein , 1 types, 8 molecules ABCDEFGH

#1: Protein
Glycerol-3-phosphate phosphatase / G3PP / Aspartate-based ubiquitous Mg(2+)-dependent phosphatase / AUM / Phosphoglycolate phosphatase / PGP


Mass: 34560.559 Da / Num. of mol.: 8 / Mutation: D34N, C297S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Pgp / Production host: Escherichia coli (E. coli)
References: UniProt: Q8CHP8, glycerol-1-phosphatase, protein-tyrosine-phosphatase

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Non-polymers , 5 types, 319 molecules

#2: Chemical
ChemComp-ACT / ACETATE ION


Mass: 59.044 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C2H3O2
#3: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: SO4
#4: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 15 / Source method: obtained synthetically / Formula: C3H8O3
#5: Chemical ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Ca
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 287 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.75 Å3/Da / Density % sol: 55.3 % / Description: Plate
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8.5 / Details: 0.1 M Tris-HCl 0.2 M (NH4)2SO4 12% (w/v) PEG 8000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 0.972422 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Feb 11, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.972422 Å / Relative weight: 1
ReflectionResolution: 2.31→49.17 Å / Num. obs: 88859 / % possible obs: 71.32 % / Observed criterion σ(I): -3 / Redundancy: 3.1 % / Biso Wilson estimate: 49.53 Å2 / CC1/2: 0.993 / Rmerge(I) obs: 0.094 / Rpim(I) all: 0.062 / Net I/σ(I): 7.43
Reflection shellResolution: 2.31→2.54 Å / Redundancy: 3.4 % / Rmerge(I) obs: 1.078 / Mean I/σ(I) obs: 1.23 / Num. unique obs: 4443 / CC1/2: 0.281 / Rpim(I) all: 0.684 / % possible all: 14.39

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Processing

Software
NameVersionClassification
PHENIX1.14_3260refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4bkm

4bkm


Resolution: 2.31→19.97 Å / SU ML: 0.2856 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 30.4273 / Stereochemistry target values: CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2296 2230 2.52 %
Rwork0.2079 86432 -
obs0.2085 88662 71.26 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 70.62 Å2
Refinement stepCycle: LAST / Resolution: 2.31→19.97 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms18013 0 163 287 18463
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003318534
X-RAY DIFFRACTIONf_angle_d0.78925132
X-RAY DIFFRACTIONf_chiral_restr0.04932890
X-RAY DIFFRACTIONf_plane_restr0.00453265
X-RAY DIFFRACTIONf_dihedral_angle_d15.855511260
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.31-2.360.227430.319266X-RAY DIFFRACTION0.89
2.36-2.410.3315120.2916361X-RAY DIFFRACTION4.81
2.41-2.470.3277370.30851292X-RAY DIFFRACTION17.23
2.47-2.540.3558820.30132707X-RAY DIFFRACTION35.82
2.54-2.610.3267950.30054126X-RAY DIFFRACTION54.34
2.61-2.70.29461270.30745281X-RAY DIFFRACTION69.52
2.7-2.790.32791940.29986229X-RAY DIFFRACTION82.85
2.79-2.910.31241570.28047111X-RAY DIFFRACTION93.71
2.91-3.040.27771860.26547456X-RAY DIFFRACTION98.18
3.04-3.20.30071850.2487427X-RAY DIFFRACTION98.33
3.2-3.40.24962040.21997504X-RAY DIFFRACTION98.3
3.4-3.660.21991750.19627455X-RAY DIFFRACTION97.98
3.66-4.020.20062200.18247337X-RAY DIFFRACTION97.8
4.02-4.60.18531820.16247394X-RAY DIFFRACTION97.28
4.6-5.770.1851860.17457409X-RAY DIFFRACTION97.62
5.77-19.970.21971850.19647277X-RAY DIFFRACTION96.05
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)
13.425318779720.6807882852292.171579861392.374444820660.003062099501592.71895301068-0.2409005526820.248862961024-0.393467049613-0.2693964683020.08533776736490.482592705640.51726666223-0.664858540853-0.1972519208970.822839475836-0.0291363574110.1439092912561.20216445262-0.2399878596530.901691348177-7.54250243544-17.6929025235-30.9109687354
21.81703527341-1.1436659935-0.5517422693042.434982660971.544087774463.28039271463-0.1599107434120.405283542251-0.2987275078460.138105806071-0.016909717719-0.01845290188860.5122047680560.2473234050720.1216278964890.519562340604-0.09987386870530.1658821385770.667939182233-0.07022780194480.3115457486513.63148275786-3.96555814243-12.8651476717
34.179443234780.02774851553740.465289035163.48951043074-0.4664812127683.11183123062-0.1990375537060.671089061806-0.431332410021-0.387893152374-0.3008900800050.100534656760.378598641392-0.06025443372130.131746122730.839415446162-0.1357000840540.02498709540961.33727141467-0.227548425730.799140852365-9.96945338873-7.37541832652-32.4133048148
41.613805708960.841705052595-0.6577175193442.74766069087-0.3977899466641.254710898610.2373695794461.12887213718-0.500368730727-0.73993364728-0.144653492786-0.733578006515-0.5744724314290.187996650683-0.4246689474811.10736808712-0.388384543869-0.06737993723841.067841570250.4579075200791.00110554532-7.9777184711550.322829079-7.38952079976
54.803568243030.73144326579-0.2105006703656.835397814910.2595390297763.96252484972-0.484358032538-0.009362014809250.001120857271850.3547325508390.295228231635-1.09991995257-0.18283787551.32513504203-0.1938837923820.822497999225-0.359506834852-0.03911220264531.01795184224-0.1568098478610.887217292256-2.9122458025235.07990286325.02785507307
63.196779855170.278491817596-0.9407544225222.7880483529-0.0251465546774.049065182660.009318843907620.1578496435570.633436615023-0.09755208676440.395315044862-0.343822734202-0.4611037077420.232726747101-0.146883323940.690513524917-0.268504867032-0.1337441640830.5250283188520.1561373002690.575284946023-12.434423936640.15214476184.56986148802
74.524556352761.05096652254-0.3138670030362.69321056870.2845117375754.10265985141-0.103394604564-0.1323021361441.067318116430.7393496207240.147239483035-0.13172709351-0.350386835276-0.0933035188872-0.0641796274110.609271459734-0.140880951581-0.1688528063060.429683330453-0.07837234182150.459662646446-16.534763348235.96153431649.78595927971
83.755683323830.0332740014542-0.8278729668273.429739573470.1329142983522.34229927578-0.4492768509520.255034107371-0.210958893422-0.08526712171080.2552467409880.1382417243970.228444416488-0.02001876464930.247589540980.378464386939-0.1589823170080.04490960790060.44576062146-0.03855127271240.205848478387-19.96611673849.90439477666-0.319491390479
94.24077527504-0.9992691933820.1626252788882.91058450838-0.205944216252.34580758485-0.08390154304990.3606568837560.381045797031-0.2163755402520.0573524998981-0.170070716197-0.359406573813-0.02449520083180.2086276283760.430538917442-0.1413712757370.02070699045940.6065326539430.1081875522630.231917349887-9.2071161915615.971819103-6.73534095189
101.92759017521-0.272877904201-0.1835021174951.996677446132.276518803882.63238187013-0.07281530856160.6766414223290.584754213294-0.9612680577580.1256089211380.0278008219569-0.6141558768270.00520008056771-0.09286117415660.773053396875-0.32901695574-0.07383736254891.084361261660.3247385977070.473518134954-15.091325979733.7954981033-9.32119256134
114.246995655340.3874099503870.2750345664053.214824984420.3389287141252.433826897140.3173347117150.8832833377440.514036747591-0.7844765855310.577017459976-0.858687951901-1.49189766040.972409704273-0.326864929131.07593637966-0.4970635330430.2052211204351.4025240020.2545720453360.914576308936-0.98908702118140.4946312041-11.4330023341
123.227497700270.5389920532271.058014317965.018619187970.3152250437363.722362421330.00340769146814-0.07552983124-0.1357539509080.0383535147265-0.07335874764910.2531509253420.209705491225-0.1805096312380.1398411259330.2272324690650.009343261767410.06002300703460.178765141620.008174272745910.36736989384414.0948293812-31.663045545536.6234392765
132.459308517740.2553099346180.6381171330312.81119911096-0.6060808529571.68933678929-0.19317452164-0.04459357837480.2209655472030.225377188230.0971747921324-0.173912647019-0.2646244639580.1232379349750.06073813971430.2860010594280.0048960857559-0.08612009174430.2159600739290.02072292958850.2821387722123.6499363586-3.594880705348.9150531206
140.991960258289-0.781421513256-0.1028521135913.944548334960.5208186066491.388805010530.04699681980780.1151669188620.0964915917942-0.491829155195-0.0407149087281-0.199649479183-0.195960546930.00740782767860.04177870400870.274919630265-0.0641842223833-0.04779656289150.2407342995250.04949581392490.25412354999417.3799684069-12.036965081936.0008542467
157.361693693571.83437209919-0.3007196209067.33486138119-1.336629452513.777344163790.375841933453-0.1363312367710.388906294484-1.00609505775-0.2363714577780.58317911546-0.0671234945574-0.1811336989110.002798804143190.4726138811770.000189295631036-0.1079306357750.2692622048440.03847385425470.32672950288312.0271613196-21.229280489126.9507834297
164.70403570598-0.37811976417-0.9420899487984.11110062916-0.85854880673.050633241330.2299117859290.6238737894360.580488193925-0.877492989267-0.1525866400220.95410502033-0.26249242111-0.210593225072-0.08531531187450.5639578868170.0589821462746-0.245377184950.485951820767-0.001161504253440.6233069029174.37233976624-23.872645719524.1540590466
175.760193216-0.055616592199-1.031323555055.90453405062-0.4760031720873.638301726510.2712888519-0.3602052369180.722365055871-0.300787991566-0.117068956972-0.0669275126358-0.21660071430.370674284151-0.07353972959670.3881642990850.06148764572440.01358535583650.309689701227-0.06427930586160.5173166256966.8066262668133.629853756436.6450364985
182.11508348216-1.620763207160.3591964519143.72275845942-1.024662319831.58612552152-0.115355680134-0.211832459168-0.01372815929180.3220730601650.2054469460040.315084869569-0.1688740072-0.314297647516-0.049866671550.2793928943940.0351774242496-0.0170431498910.3018243486830.05892318232840.311652740618-1.008717055057.5372373171944.6406331436
195.237978394661.07552535095-0.08008764253014.246425174750.04217222635313.495001063980.2057077834760.596383863720.0107833634128-0.919526064062-0.210824361107-0.6474800669090.1132611694790.0890141906908-0.09668201769550.5832509978880.09675189266680.1591843100770.4718306616610.0545018286080.5274277848210.696761142325.409288537525.1056913696
204.412419227-0.9310731700730.9660846555785.133018268261.386999015923.08563327853-0.0420777338211-0.107199468175-1.143929917340.3446849172160.0641166066943-1.066134355070.5313249205760.5007462631590.07613261290540.5011145984710.01888906720140.03408354258070.495657208410.112114323611.0752414229349.6169020519-31.860562438631.7547769408
213.79910002742-3.89137561588-0.6063959251874.09450678005-0.1090369488494.807410837860.1830911267971.35998125113-1.44362864039-1.992300316980.0711472264632-0.7596220198330.2640972569461.009988789380.1845164631760.675057959127-0.02086872244270.3175252748840.631613068298-0.2679384270831.0115860216743.6447018443-30.700912654918.9150332088
223.105870998410.905308604847-0.2021418392174.86170136541-1.347756626931.88337665074-0.2716584372380.101891045545-0.00927961051396-0.4650015294130.3661886989310.2428495326060.151609739158-0.356389606788-0.05759814097510.375655696262-0.0362122770.06084221638270.3920144124540.03752337804770.38672032699741.6252427687-3.3758994823719.7867954776
234.41562036976-0.628879289559-0.1245701292443.45161634589-0.7751939507664.940603743060.0300620735694-0.67334990576-0.142056461050.661240315387-0.12364707882-1.256696653810.3211848766950.6178430409280.008047130853210.426013218955-0.0182129858272-0.1310851841230.5505103541480.08631943301750.87750852075549.5418189211-23.406382837338.5563198702
243.650149417650.391601659525-0.98862938436.06870482339-0.3345557973373.00718651757-0.182209872935-0.2241643064940.747820499274-0.2088595315380.05017566200840.438502439187-0.347763065594-0.2302010180060.08526121138760.2860738771310.105555991852-0.1212367227330.283175563696-0.08831984789660.47969685095556.919985681934.235449012728.6057423547
253.46360810770.446597398206-0.808042825462.78830755807-0.4392800613852.73179257521-0.3056720022820.0195518499095-0.2003477462420.02420488992960.168291325483-0.05402799569640.23038075821-0.0254571576950.1244124236460.3071233800320.02404659908430.06936487634930.275410750193-0.01208073537980.26713076201862.63024777996.5881094522119.1317945001
261.79997984217-0.490309763394-0.09034177577313.331779549980.007964576569521.4792440833-0.0397032578721-0.4577040289050.1042158546630.275519848155-0.1197441335110.8495537063740.0224296914328-0.3984883014440.1423167690380.2772585770710.03885191803980.1009691484320.528915058195-0.05698800826960.40368332472755.137426576224.379111218937.9267906325
277.405117811841.55757680134-0.7654684620350.3309254532880.0003692234909045.5654629621-0.4759993783360.3955496469342.08296843667-0.8922741193890.1016061434421.25089989609-0.9447787981990.06110786479171.357014312070.6746740188940.288934645064-0.8821221746030.754515558311-0.2771006488641.0409331757742.856057328942.5170324051-17.317264427
282.84720511771.028086436250.9451732444023.012029897381.44609436883.41090025969-0.258642756046-0.318635653737-0.033471506237-0.17943850750.0129727062591-0.203538602917-0.5881058682850.4146564377890.1500849940320.5211470484310.0722290228114-0.1783594942370.632782401762-0.0005891690899520.33030718874746.326154493522.9442329838-25.6954276874
294.827280625012.423501044742.378743412445.235095715481.741762014772.702796033450.0299057351369-1.49791042237-0.05483134440630.615567098574-0.4675253206650.308199915837-0.295787111444-0.2710973633110.2955487425980.586457365198-0.158152453881-0.2181450139171.58887022308-0.114087936180.42532634234845.951174895932.9535047195-4.29539468189
300.225784407074-0.380978102106-0.1193324857373.281002061160.1690118555150.0573813723380.453885887922-0.914272830556-0.01116923181010.821589984904-0.9547939147741.29627653212-0.6180297629190.1655373262650.3362274722641.04887766319-0.319978379025-0.04183957660921.889532909-0.3451014089940.83903623298236.185041600233.58049627172.64442261452
313.51986341518-0.5196633696030.7778271637123.13515491837-0.3990402371543.36554007076-0.0584140753965-0.113488090069-0.5443662751160.2015634740670.0189117327997-0.3207058223850.5603093955980.1531762890240.07625650219970.4988010013630.1468268635010.05010969793710.370194559290.04477233588830.41081998933530.529231735-14.5304317027-37.2580224874
324.444631207271.510970854180.8567203382752.759256942510.185518854293.26021610168-0.277085602443-0.738915877350.3418694592440.1884508474550.06185283870050.152380254415-0.270774644763-0.09186142502520.1944946329810.4045392540640.178398353753-0.05674248022130.480236344834-0.06602538621520.23837871387625.230304361513.7494178014-29.9604964844
334.692713501-0.394376512984-0.6034006425033.8873131930.6760892261643.68537284865-0.0317314260476-0.5529955812020.3190578473690.915241231570.194553529364-0.6311504240070.6188660679930.317055449603-0.2457985829910.7750103000950.252677258569-0.0813586078260.6943320143740.0977977382730.48088567196833.7773625803-13.387866359-24.1902317324
342.000005024292.00002162162.000009011351.999995431485.368768929112.00001577029-0.4931012804555.883364587765.08627197661-10.39764653435.630224732052.09199833935-12.6499936239-8.48003034159-5.100984706912.156545820990.23643910042-0.2271017695571.66062676118-0.7183050098441.1944208702535.271303215-26.707348958-43.6272637436
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 12 through 48 )
2X-RAY DIFFRACTION2chain 'A' and (resid 49 through 259 )
3X-RAY DIFFRACTION3chain 'A' and (resid 260 through 319 )
4X-RAY DIFFRACTION4chain 'B' and (resid 11 through 33 )
5X-RAY DIFFRACTION5chain 'B' and (resid 34 through 48 )
6X-RAY DIFFRACTION6chain 'B' and (resid 49 through 73 )
7X-RAY DIFFRACTION7chain 'B' and (resid 74 through 100 )
8X-RAY DIFFRACTION8chain 'B' and (resid 101 through 188 )
9X-RAY DIFFRACTION9chain 'B' and (resid 189 through 226 )
10X-RAY DIFFRACTION10chain 'B' and (resid 227 through 279 )
11X-RAY DIFFRACTION11chain 'B' and (resid 280 through 320 )
12X-RAY DIFFRACTION12chain 'C' and (resid 11 through 100 )
13X-RAY DIFFRACTION13chain 'C' and (resid 101 through 188 )
14X-RAY DIFFRACTION14chain 'C' and (resid 189 through 259 )
15X-RAY DIFFRACTION15chain 'C' and (resid 260 through 279 )
16X-RAY DIFFRACTION16chain 'C' and (resid 280 through 320 )
17X-RAY DIFFRACTION17chain 'D' and (resid 11 through 100 )
18X-RAY DIFFRACTION18chain 'D' and (resid 101 through 248 )
19X-RAY DIFFRACTION19chain 'D' and (resid 249 through 320 )
20X-RAY DIFFRACTION20chain 'E' and (resid 11 through 73 )
21X-RAY DIFFRACTION21chain 'E' and (resid 74 through 100 )
22X-RAY DIFFRACTION22chain 'E' and (resid 101 through 237 )
23X-RAY DIFFRACTION23chain 'E' and (resid 238 through 320 )
24X-RAY DIFFRACTION24chain 'F' and (resid 10 through 100 )
25X-RAY DIFFRACTION25chain 'F' and (resid 101 through 225 )
26X-RAY DIFFRACTION26chain 'F' and (resid 226 through 320 )
27X-RAY DIFFRACTION27chain 'G' and (resid 65 through 100 )
28X-RAY DIFFRACTION28chain 'G' and (resid 101 through 237 )
29X-RAY DIFFRACTION29chain 'G' and (resid 238 through 271 )
30X-RAY DIFFRACTION30chain 'G' and (resid 272 through 309 )
31X-RAY DIFFRACTION31chain 'H' and (resid 11 through 100 )
32X-RAY DIFFRACTION32chain 'H' and (resid 101 through 237 )
33X-RAY DIFFRACTION33chain 'H' and (resid 238 through 320 )
34X-RAY DIFFRACTION34chain 'H' and (resid 321 through 321 )

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