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- PDB-6djl: Crystal structure of the Rab11 GEF SH3BP5 bound to nucleotide fre... -

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Basic information

Entry
Database: PDB / ID: 6djl
TitleCrystal structure of the Rab11 GEF SH3BP5 bound to nucleotide free Rab11A
Components
  • Ras-related protein Rab-11A
  • SH3 domain-binding protein 5
KeywordsSIGNALING PROTEIN/PROTEIN TRANSPORT / Rab GTPase / Guanine nucleotide exchange factor / membrane trafficking / PROTEIN TRANSPORT / SIGNALING PROTEIN-PROTEIN TRANSPORT complex
Function / homology
Function and homology information


regulation of early endosome to recycling endosome transport / regulation of protein localization to centrosome / regulation of endocytic recycling / early endosome to recycling endosome transport / establishment of protein localization to organelle / establishment of vesicle localization / plasma membrane to endosome transport / postsynaptic recycling endosome / positive regulation of mitotic cytokinetic process / regulation of cilium assembly ...regulation of early endosome to recycling endosome transport / regulation of protein localization to centrosome / regulation of endocytic recycling / early endosome to recycling endosome transport / establishment of protein localization to organelle / establishment of vesicle localization / plasma membrane to endosome transport / postsynaptic recycling endosome / positive regulation of mitotic cytokinetic process / regulation of cilium assembly / exosomal secretion / amyloid-beta clearance by transcytosis / astral microtubule organization / melanosome transport / neurotransmitter receptor transport, endosome to postsynaptic membrane / VxPx cargo-targeting to cilium / protein transmembrane transport / regulation of vesicle-mediated transport / myosin V binding / RAB geranylgeranylation / Golgi to plasma membrane protein transport / multivesicular body assembly / protein localization to cilium / establishment of protein localization to membrane / syntaxin binding / protein localization to cell surface / TBC/RABGAPs / dynein light intermediate chain binding / mitotic metaphase chromosome alignment / protein kinase inhibitor activity / exocytosis / cleavage furrow / positive regulation of epithelial cell migration / mitotic spindle assembly / transport vesicle / vesicle-mediated transport / phagocytic vesicle / positive regulation of G2/M transition of mitotic cell cycle / multivesicular body / centriole / Anchoring of the basal body to the plasma membrane / cytoplasmic vesicle membrane / guanyl-nucleotide exchange factor activity / regulation of cytokinesis / small monomeric GTPase / trans-Golgi network membrane / protein localization to plasma membrane / Translocation of SLC2A4 (GLUT4) to the plasma membrane / trans-Golgi network / recycling endosome / SH3 domain binding / recycling endosome membrane / spindle pole / neuron projection development / Vasopressin regulates renal water homeostasis via Aquaporins / endocytic vesicle membrane / G protein activity / microtubule binding / cytoplasmic vesicle / vesicle / intracellular signal transduction / nuclear body / Golgi membrane / GTPase activity / centrosome / GTP binding / glutamatergic synapse / Golgi apparatus / signal transduction / protein-containing complex / mitochondrion / extracellular exosome / nucleoplasm / cytosol / cytoplasm
Similarity search - Function
SH3-binding 5 / SH3 domain-binding protein 5 (SH3BP5) / : / Small GTPase Rab domain profile. / Ran (Ras-related nuclear proteins) /TC4 subfamily of small GTPases / Rho (Ras homology) subfamily of Ras-like small GTPases / Ras subfamily of RAS small GTPases / Small GTPase / Ras family / Rab subfamily of small GTPases ...SH3-binding 5 / SH3 domain-binding protein 5 (SH3BP5) / : / Small GTPase Rab domain profile. / Ran (Ras-related nuclear proteins) /TC4 subfamily of small GTPases / Rho (Ras homology) subfamily of Ras-like small GTPases / Ras subfamily of RAS small GTPases / Small GTPase / Ras family / Rab subfamily of small GTPases / Small GTP-binding protein domain / P-loop containing nucleotide triphosphate hydrolases / Rossmann fold / P-loop containing nucleoside triphosphate hydrolase / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
SH3 domain-binding protein 5 / Ras-related protein Rab-11A
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 3.10001148084 Å
AuthorsBurke, J.E. / Jenkins, M.L. / Boulanger, M.J.
Funding support Canada, 1items
OrganizationGrant numberCountry
Natural Sciences and Engineering Research Council (NSERC, Canada)05214 Canada
CitationJournal: Nat Commun / Year: 2018
Title: Structural determinants of Rab11 activation by the guanine nucleotide exchange factor SH3BP5.
Authors: Jenkins, M.L. / Margaria, J.P. / Stariha, J.T.B. / Hoffmann, R.M. / McPhail, J.A. / Hamelin, D.J. / Boulanger, M.J. / Hirsch, E. / Burke, J.E.
History
DepositionMay 25, 2018Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 26, 2018Provider: repository / Type: Initial release
Revision 1.1Jan 8, 2020Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.2Mar 13, 2024Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Ras-related protein Rab-11A
B: SH3 domain-binding protein 5
C: SH3 domain-binding protein 5
D: SH3 domain-binding protein 5
E: SH3 domain-binding protein 5
F: Ras-related protein Rab-11A
G: Ras-related protein Rab-11A
H: Ras-related protein Rab-11A


Theoretical massNumber of molelcules
Total (without water)222,8958
Polymers222,8958
Non-polymers00
Water00
1
A: Ras-related protein Rab-11A
C: SH3 domain-binding protein 5


Theoretical massNumber of molelcules
Total (without water)55,7242
Polymers55,7242
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2350 Å2
ΔGint-12 kcal/mol
Surface area24630 Å2
MethodPISA
2
B: SH3 domain-binding protein 5
H: Ras-related protein Rab-11A


Theoretical massNumber of molelcules
Total (without water)55,7242
Polymers55,7242
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2210 Å2
ΔGint-17 kcal/mol
Surface area24390 Å2
MethodPISA
3
D: SH3 domain-binding protein 5
G: Ras-related protein Rab-11A


Theoretical massNumber of molelcules
Total (without water)55,7242
Polymers55,7242
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2320 Å2
ΔGint-10 kcal/mol
Surface area24220 Å2
MethodPISA
4
E: SH3 domain-binding protein 5
F: Ras-related protein Rab-11A


Theoretical massNumber of molelcules
Total (without water)55,7242
Polymers55,7242
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2470 Å2
ΔGint-12 kcal/mol
Surface area24340 Å2
MethodPISA
Unit cell
Length a, b, c (Å)114.850, 197.040, 304.710
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number23
Space group name H-MI222
Space group name HallI22
Symmetry operation#1: x,y,z
#2: x,-y,-z
#3: -x,y,-z
#4: -x,-y,z
#5: x+1/2,y+1/2,z+1/2
#6: x+1/2,-y+1/2,-z+1/2
#7: -x+1/2,y+1/2,-z+1/2
#8: -x+1/2,-y+1/2,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21

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
11VALVALILEILE(chain 'B' and (resid 41 through 45 or resid 47...BB41 - 4542 - 46
12GLYGLYASNASN(chain 'B' and (resid 41 through 45 or resid 47...BB47 - 5348 - 54
13SERSERARGARG(chain 'B' and (resid 41 through 45 or resid 47...BB55 - 6156 - 62
14GLUGLUVALVAL(chain 'B' and (resid 41 through 45 or resid 47...BB63 - 8864 - 89
15LYSLYSILEILE(chain 'B' and (resid 41 through 45 or resid 47...BB90 - 9191 - 92
16ALAALAVALVAL(chain 'B' and (resid 41 through 45 or resid 47...BB94 - 9595 - 96
17ASPASPTYRTYR(chain 'B' and (resid 41 through 45 or resid 47...BB97 - 10198 - 102
18GLUGLUGLNGLN(chain 'B' and (resid 41 through 45 or resid 47...BB103 - 116104 - 117
19ALAALAGLNGLN(chain 'B' and (resid 41 through 45 or resid 47...BB118 - 123119 - 124
110ALAALAMETMET(chain 'B' and (resid 41 through 45 or resid 47...BB125 - 191126 - 192
111METMETLEULEU(chain 'B' and (resid 41 through 45 or resid 47...BB194 - 201195 - 202
112ARGARGSERSER(chain 'B' and (resid 41 through 45 or resid 47...BB203 - 208204 - 209
113PROPROLYSLYS(chain 'B' and (resid 41 through 45 or resid 47...BB210 - 215211 - 216
114TYRTYRLEULEU(chain 'B' and (resid 41 through 45 or resid 47...BB218 - 222219 - 223
115GLNGLNLEULEU(chain 'B' and (resid 41 through 45 or resid 47...BB224 - 225225 - 226
116LYSLYSLEULEU(chain 'B' and (resid 41 through 45 or resid 47...BB227 - 238228 - 239
117GLYGLYTYRTYR(chain 'B' and (resid 41 through 45 or resid 47...BB241 - 243242 - 244
118METMETGLUGLU(chain 'B' and (resid 41 through 45 or resid 47...BB245 - 251246 - 252
119ILEILEGLUGLU(chain 'B' and (resid 41 through 45 or resid 47...BB253 - 259254 - 260
21VALVALILEILE(chain 'E' and (resid 41 through 45 or resid 47...EE41 - 4542 - 46
22GLYGLYASNASN(chain 'E' and (resid 41 through 45 or resid 47...EE47 - 5348 - 54
23SERSERARGARG(chain 'E' and (resid 41 through 45 or resid 47...EE55 - 6156 - 62
24GLUGLUVALVAL(chain 'E' and (resid 41 through 45 or resid 47...EE63 - 8864 - 89
25LYSLYSILEILE(chain 'E' and (resid 41 through 45 or resid 47...EE90 - 9191 - 92
26ALAALAVALVAL(chain 'E' and (resid 41 through 45 or resid 47...EE94 - 9595 - 96
27ASPASPTYRTYR(chain 'E' and (resid 41 through 45 or resid 47...EE97 - 10198 - 102
28GLUGLUGLNGLN(chain 'E' and (resid 41 through 45 or resid 47...EE103 - 116104 - 117
29ALAALAGLNGLN(chain 'E' and (resid 41 through 45 or resid 47...EE118 - 123119 - 124
210ALAALAMETMET(chain 'E' and (resid 41 through 45 or resid 47...EE125 - 191126 - 192
211METMETLEULEU(chain 'E' and (resid 41 through 45 or resid 47...EE194 - 201195 - 202
212ARGARGSERSER(chain 'E' and (resid 41 through 45 or resid 47...EE203 - 208204 - 209
213PROPROLYSLYS(chain 'E' and (resid 41 through 45 or resid 47...EE210 - 215211 - 216
214TYRTYRLEULEU(chain 'E' and (resid 41 through 45 or resid 47...EE218 - 222219 - 223
215GLNGLNLEULEU(chain 'E' and (resid 41 through 45 or resid 47...EE224 - 225225 - 226
216LYSLYSLEULEU(chain 'E' and (resid 41 through 45 or resid 47...EE227 - 238228 - 239
217GLYGLYTYRTYR(chain 'E' and (resid 41 through 45 or resid 47...EE241 - 243242 - 244
218METMETGLUGLU(chain 'E' and (resid 41 through 45 or resid 47...EE245 - 251246 - 252
219ILEILEGLUGLU(chain 'E' and (resid 41 through 45 or resid 47...EE253 - 259254 - 260

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Components

#1: Protein
Ras-related protein Rab-11A / Rab-11 / YL8


Mass: 24691.818 Da / Num. of mol.: 4 / Mutation: Q70L
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: RAB11A, RAB11 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: P62491
#2: Protein
SH3 domain-binding protein 5 / SH3BP-5 / SH3 domain-binding protein that preferentially associates with BTK


Mass: 31032.000 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: SH3BP5, SAB / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: O60239

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Experimental details

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Experiment

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

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Sample preparation

CrystalDensity Matthews: 3.87 Å3/Da / Density % sol: 73.7 %
Crystal growTemperature: 289 K / Method: vapor diffusion, hanging drop / pH: 6.5 / Details: 23% PEG-3350, 200 mM NaCl, 100 mM Bis Tris pH-6.5

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CLSI / Beamline: 08ID-1 / Wavelength: 0.97949 Å
DetectorType: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Dec 17, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97949 Å / Relative weight: 1
ReflectionResolution: 3.1→50 Å / Num. obs: 62902 / % possible obs: 99.74 % / Redundancy: 4.9 % / Biso Wilson estimate: 114.717887746 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.1363 / Rpim(I) all: 0.06845 / Rrim(I) all: 0.1531 / Net I/σ(I): 8.26
Reflection shellResolution: 3.1→3.21 Å / Redundancy: 5.1 % / Rmerge(I) obs: 2.189 / Mean I/σ(I) obs: 0.75 / Num. unique obs: 6236 / CC1/2: 0.281 / Rpim(I) all: 1.072 / % possible all: 99.79

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Processing

Software
NameVersionClassification
XDSdata reduction
XSCALEdata scaling
PHENIXrefinement
PDB_EXTRACT3.24data extraction
CRANK2phasing
RefinementMethod to determine structure: SAD / Resolution: 3.10001148084→49.6123632974 Å / SU ML: 0.662234327786 / Cross valid method: FREE R-VALUE / σ(F): 1.3308053611 / Phase error: 33.0337293174
RfactorNum. reflection% reflection
Rfree0.277638805607 3145 5.00246544402 %
Rwork0.235203699975 --
obs0.237315729513 62869 99.7762259959 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 132.438293234 Å2
Refinement stepCycle: LAST / Resolution: 3.10001148084→49.6123632974 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12888 0 0 0 12888
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0028749846856113048
X-RAY DIFFRACTIONf_angle_d0.54650580873517531
X-RAY DIFFRACTIONf_chiral_restr0.03770223259361974
X-RAY DIFFRACTIONf_plane_restr0.002689525877582261
X-RAY DIFFRACTIONf_dihedral_angle_d13.75410301788113
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.1-3.14840.4737216965471410.4474762573332667X-RAY DIFFRACTION99.7513321492
3.1484-3.20010.4472302394921420.4361674260522698X-RAY DIFFRACTION99.8242530756
3.2001-3.25520.4245613605371420.3907484676962693X-RAY DIFFRACTION99.823943662
3.2552-3.31440.4181194349031400.3768608040692660X-RAY DIFFRACTION99.8929718159
3.3144-3.37810.3870437328781430.3416584275452703X-RAY DIFFRACTION99.9297752809
3.3781-3.44710.3418116734351410.3181589028042680X-RAY DIFFRACTION99.7172145634
3.4471-3.5220.3559047189551420.3038369324212710X-RAY DIFFRACTION99.8599439776
3.522-3.60390.3822506730311420.3130439622312682X-RAY DIFFRACTION99.5768688293
3.6039-3.6940.329263738541420.3004131717832695X-RAY DIFFRACTION99.9647639183
3.694-3.79390.3418611254741410.2926943790492686X-RAY DIFFRACTION99.8234463277
3.7939-3.90550.3442885073471420.2731662699382700X-RAY DIFFRACTION99.8594518623
3.9055-4.03150.3067793686211430.2578219515582713X-RAY DIFFRACTION99.9649982499
4.0315-4.17550.265244447511420.2387619385612691X-RAY DIFFRACTION99.8590059922
4.1755-4.34260.3110921999111420.226751263722710X-RAY DIFFRACTION99.9299229152
4.3426-4.54010.257944964121440.2177372419212734X-RAY DIFFRACTION99.9652657173
4.5401-4.77920.2112754235681430.1970788446912715X-RAY DIFFRACTION99.8602375961
4.7792-5.07840.2422030865531420.1987976600382698X-RAY DIFFRACTION99.5792426367
5.0784-5.47010.2778014923411440.2312076637952746X-RAY DIFFRACTION99.7928176796
5.4701-6.01970.3422022005881450.2673811104132740X-RAY DIFFRACTION99.8615437868
6.0197-6.88880.303827386631440.2392429147612739X-RAY DIFFRACTION99.6887966805
6.8888-8.67160.232988258791470.1913034899632792X-RAY DIFFRACTION99.6271186441
8.6716-49.61870.2029334530351510.1714070241012872X-RAY DIFFRACTION98.9849377865
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)
15.31030354459-2.05549080858-3.614050141446.26713701717-1.446669555027.573822849430.3037769129740.5319324316461.637493589550.534856856477-0.659412377186-0.03153557910190.942543976157-1.034270906330.2726797658471.50222482549-0.271221087664-0.01585222129210.836362144908-0.103978935680.945896674763-34.5602004509-38.664528572192.7861451718
21.72133414723-0.2116994044610.3730068825271.06571440032-0.2798815891690.997972233975-0.393942269505-0.5637903264580.4220275891910.541814002588-0.5045864231720.7971112299690.2892267187161.099353175640.5033796507282.33888491319-0.501460953014-0.5304902285332.65366380507-0.06754128302360.729378564018-39.6192731773-44.7880850249111.120297785
36.283356441532.842792991142.015100223153.438046384031.696162775964.622199235050.495060203194-0.2923383334630.2744298442662.360967790920.0923486805858-1.436214222-0.5470955625150.795020921138-0.6011102081422.212514583970.00315301122323-0.3661627000721.25944783526-0.07583638293361.22826324321-28.1058364583-41.6243639762105.677657528
42.58468298224-0.1284291070440.3892567235570.167297563581-0.4130488482123.83366689482-0.0271371205977-1.055809316930.08638738740371.41108048408-0.4751338571230.887982872411.96880865123-0.3492614866140.3054038127451.71727340171-0.5606978599090.4379074000581.35722635075-0.1339868478141.2009508712-39.3273641853-37.6445054689102.818880179
52.720045391770.927141293893-1.968172006561.208131083140.5174048439098.000404436210.1823453097290.2327999023440.3016656113220.55408704713-0.1353407111630.364319231659-0.844250754202-1.805604822560.0460180467841.66671586731-0.4028798978710.5616639502791.56051549879-0.5039198635571.61816490611-52.2289715662-39.7583805141104.22298179
62.803598389490.760585451702-2.426388675763.389199304261.011506437163.739419850430.151923946475-0.152412952551-0.007465548617991.20645994506-0.3209632393573.6293889271.48571754878-0.2888632366120.4450653733051.98145355452-0.6060206919980.7748242274951.70109396746-0.2909561014552.59404633353-53.2811250682-54.3093686879108.114173395
73.08730874454-0.281702343385-0.5720568371252.02372504547-0.6612964937463.331215410290.4452196301420.519514038722-0.944918674020.726479767671-0.7738661141853.126407044950.0939548294595-1.99422658046-0.102586679691.59918085792-1.147836011670.6987880088520.89153093849-0.396058088262.25891055567-45.5634170798-53.0933290609103.255370293
83.4582656997-2.236667645750.7328580358463.95597711042-1.123017785215.710931893470.8631554945740.0519637089939-0.9647944761670.468236380567-0.671513715450.09009077285691.40652281351-0.0796738058638-0.1852722180131.36627185129-0.468508371081-0.000163888944761.12005101899-0.02353176425811.76342039029-42.4345387282-45.75554852587.8777008763
93.884890327-0.910030334703-5.039956785051.475755938511.476635146587.272938415210.05308531056691.76239864077-0.949627992057-1.02160326511-0.622906318940.354557124316-0.707240563612-1.968251686130.6827017453350.998193146457-0.1309560426-0.03938021023751.07029841943-0.2355074865871.20896163846-23.1578967194-14.949464644949.4401174263
107.33024403947-4.245281532860.6799045457181.9971493748-0.642576253338-0.0137579939446-0.282153341785-0.633372417386-0.195311978660.2494550522790.3208890871790.0962805071750.0868538541315-0.121911985471-0.005171272919960.9235105512740.1115507203160.1380178878910.858821196561-0.1069047052421.05580029797-5.90206917011-32.777686221788.6812381717
114.017789324240.632120596803-4.479283327880.195624948316-0.3519281918475.91475368832-0.551369944754-0.297333131484-0.466392854727-0.350024981948-0.02017864705470.3351757672840.8208124752870.5467160621730.4729725841661.081974923070.005646345647530.1659572009750.8934869079250.02000743245851.12390899579-17.755879596-17.009115897455.8251517321
120.7640734198980.270621577832-0.9483827503181.692002467641.027679786835.94492647436-0.2199390669210.1499354666970.349744456779-0.357406456458-0.3434387233880.545487691517-0.681619557627-1.290498037380.3028846134860.812626772023-0.0168348336459-0.03874029895880.781602860196-0.2095714664111.09275917563-31.5809410226-33.202661905576.7828509314
134.1704953735.293160407282.258213018744.114581749690.9209981041311.30944508213-0.09635164540440.125324899363-0.833865470133-0.2143105198330.0392929695131-1.059660691380.3406806379910.3621751731450.1637056066750.973133192260.008097601451960.09188149833221.00994091688-0.07030992296841.461204267976.13851904204-12.493063476555.9707582355
141.22537094749-0.506358045851-2.551937057221.268232023981.967105097277.63995394944-0.0800501068893-0.3384054958270.0161537666130.116054655761-0.1777160199110.376286876308-0.6600361182471.185226771790.2213581951731.00089665395-0.235043752882-0.008322569733650.910744520281-0.08724817676240.89304077523-23.7094943005-29.907716888579.0130330822
150.559437589546-0.60786801999-0.4887314273545.87947614189-4.317727923666.71187783615-0.640113692011-0.02715822332230.121075529986-0.32708044499-0.301852866418-1.574540499250.472572183120.3308354110510.9103641150730.784093153943-0.00647198399265-0.01647186446530.728750898825-0.02431445846861.0909907120525.4813294739-33.249708777481.5565763434
165.23399570458-6.17593463897-0.1357304518757.09621922343-1.780407109151.212361054850.01300650531690.1732880365870.756223631901-0.5364941148380.12286183212-0.9511776444510.2277129712030.152304095444-0.05915544631720.988826560147-0.1423103316590.06514158315520.876904431794-0.1864684577120.914175349618-2.83498059776-26.1414294202106.808727914
177.218264492121.596595650511.494277867017.622144275942.064298339336.144053238970.6162993820150.89440045088-1.153719623150.537171700592-0.190584049463-1.531601288731.17736240150.375705607025-0.3874301545041.136342611160.157199037528-0.08983088250661.025748952180.04069969052061.17000986909-14.053503253611.919477801199.193566668
181.82750760824-2.922486308750.05126307436413.2588222364-0.8321110459571.941132960460.249536678950.0416753246475-0.473233884592-1.14987902855-0.324831377031.381034428830.235852510324-0.02746966521270.112458784721.20443642033-0.0741825177844-0.01708798462940.934374926974-0.02371230576311.14282705462-10.6065302806-25.254642251107.566307017
190.9980726940570.144646713347-1.59251333732.80392620409-2.135180063044.94489508625-0.0001465291544980.157449885570.228026162023-0.3822448401840.0145382685224-0.1837407939270.138318883799-0.291656728704-0.05109152050140.76404966548-0.00425856672517-0.02045503567380.760648465186-0.02239438841390.80321633855117.7297067063-29.548874004180.3076406942
205.593707778393.44809768094-6.423052726755.03239407732-6.267421565789.456684064530.29459755346-1.11945825381-0.3044485835670.64078311224-0.6971290249760.0316754468925-0.3216165768011.036068522520.4066495035310.951698386158-0.144748516276-0.06698458843350.948050871670.009568401646590.77621784899416.3256116292-26.0373804043113.009029123
216.316847198914.126310182381.750872486940.8526290175330.313128800367-0.130750152463-0.1686550262150.605205252152-0.28741835953-0.2513565177830.242680915024-0.1734111499180.09820013743810.176353424538-0.1287711554440.950325059587-0.1914815433610.06299125686670.950728885088-0.2072971199121.21732864111-1.07725485877-29.850997607669.680189893
221.91537957471.48985537268-2.417189953811.89707420586-2.618859535945.52778951378-0.513703489170.209454017435-0.249568092292-0.03846104042770.238271670665-0.2457766536830.746678321273-1.013374276190.3581065960560.95011642055-0.06565170563480.1561067970061.01938647231-0.05442587823680.7964200260519.32317885251-26.1260565217109.283515508
231.746600161641.037518811620.8375248707645.90720574134-0.7514649986811.430798579630.471612275193-1.569724959810.362889576389-1.153399687560.1557978211631.18525979256-0.5226011962370.49361836694-0.4192601776270.977397752911-0.04051420272580.2373353898371.95951916387-0.07665102829120.9084677991217.31755148196-25.4720777754136.642693163
242.730191276352.52937846116-0.2128114266544.49027018967-0.4216065171344.722646975040.0108427731883-1.745534395750.0807327464096-0.220043655269-0.455679422611-0.450524636876-0.3085938294380.7846287643920.3066647062471.161688133420.01877353285150.2852843586591.660742731350.005316538887230.8286134340654.95932046482-31.5241286477134.675697587
255.09247622688-1.827391088512.791066129725.14642098562-0.7547207526836.015107643160.152994714588-1.30423811124-2.60041451635-0.068516769756-1.44043374420.9980573300341.121007652222.205749938410.7128683567631.004900443470.2520434815870.1456519672962.79011896461-0.03575619722831.0488344827314.6007774415-36.277707402148.861437953
263.32479455158-0.0677481870287-0.148450620741.77901004154-1.86072000191.98152284612-0.408086622451-1.959502734150.337387662893-0.123479515241-0.1048583480730.120479929928-0.8734999194482.48339439491-0.1238821876460.929636458971-0.0862087160241-0.01398088660512.279226536730.1045312951160.66099517076813.5711411258-28.1615345697150.831731425
272.390764729470.0336107809941-1.69375079044.21933948659-2.059813794823.87649586826-0.154798381314-1.639525397060.143082030882-0.209310809671-2.12312927005-0.6694384331930.559634855138-0.316059369361.448847591941.17444354112-0.0209127817378-0.1481677687953.13292749505-0.3402627639741.4776984659924.7456527409-28.4207325447152.80297318
283.34374471438-0.762070794343-2.097875642612.00463931295-0.2406242491725.065225865430.440410361845-1.307406409730.775244581021-0.3059894225350.192381074558-0.67311314831-0.9070791928291.6607992569-0.5319427061281.08507190044-0.334639708660.119421885391.84140019222-0.2523924851171.1484471665318.8877138314-22.3970042421137.639083405
293.56594815261-0.3246393384541.542148203848.12736799113-1.654878280018.85522733555-0.413052099282-0.9155386767210.0897038485718-0.4120340380620.293071773264-1.557086768110.9668959416120.5745337527160.1406737328621.08926443734-0.0309194329990.4083918075960.724063034832-0.1653218463421.3266956710929.7397673616-32.665583363264.6543593196
301.01764714049-1.289326265421.700485316881.83947639793-2.330083485793.042101643620.3180566255171.547500539081.061827990870.3633320955240.21359226145-1.35169665329-0.2402198681021.826162125780.08000007058062.934628070520.6265544198470.1628577303692.59629483560.3428282580061.199787045435.3121770995-32.049144011846.1413823974
313.170426677-2.9394861805-0.1856010113937.9394195682.072929177810.830491753651.575436778780.1800013154180.117733279054-0.754647037538-1.67141400354-0.06695555450681.89644219201-1.03831117994-0.2070984834062.55339626709-0.204638985078-0.1131276994781.160418297280.06170024526991.0890998817822.9873729319-32.337700839551.8758720143
321.95635184775-0.2995984637750.9365082206438.50101995032-1.686751614091.813146767440.9721864049060.423884178364-0.7705440178451.15681694647-0.2682222749811.58667826692-1.38517722437-0.348667357269-0.3296937549691.827409751750.08574577331560.4675067967451.14554106119-0.2083193448841.2600276518527.6884066887-28.935898378155.4194207969
333.154787377744.67178854888-0.3942490592046.32668955602-0.9242825249735.63261732074-1.138328856880.580167610547-0.881602216381-1.00485052285-0.341321724188-4.096589712962.393563819171.133692458411.144450271431.402051160150.1656450379780.665906123721.236009920490.09917361945421.5225371280532.9928916967-26.504711469457.3255339032
341.017089422340.17401657264-0.034534629231.56227431347-1.997399834012.7233371280.02570013784180.9953652240430.697886831657-1.14243680021-0.228637053922-1.435281336870.0548351976661.818624504640.1536504423291.41915776818-0.1014094839530.6741851697511.877949684010.02832231789562.4701044204544.8704893251-28.20649456852.975044312
352.835880623990.4462713022740.6350802718030.878262655754-1.563839261693.39297517730.3624441954860.00036438941659-2.56589259344-1.587152045850.0678680136047-2.78787196419-0.5642381720911.80865405662-0.03626726668591.624106545980.132444202460.9738949670971.63382700156-0.325304277761.7968158384745.5325825895-39.583741665652.0209759645
369.279697740061.28399675347-1.567697055247.32711000470.5162897166975.013877557790.9892247072-0.745246925743-0.738840034787-1.38191455537-0.665570296638-2.394105611071.598079998660.109477157449-0.1028387214491.644374324930.2571795198510.4729563592421.12219872361-0.01662977294862.1138517623736.7975878275-40.99380373866.5738666469
373.68485868034-0.7418702438760.6283751575345.68517006585-1.263113398562.79107772448-0.1656181610980.2264231038150.271627452119-0.567020686786-0.616211797094-1.29964515556-0.265221151521-0.3068734309210.8325238279271.71553442136-0.2686386645590.04198937286141.32281455113-0.07166956978561.15023694956-7.51650935268-7.4108752783827.3164025088
385.94463257492-0.565915360983-3.323273105844.18402046552.721340609129.09549277120.1687176661320.166564493478-0.488096760762-1.24503572166-0.5240938568740.530688843701-1.69471630446-0.8462157838980.2638633234911.61782409569-0.136838000195-0.1364065375921.189923044950.08940801975850.867669106672-12.8844464819-5.2648907601334.4994978277
392.85865594195-3.20143137912-2.560488408046.187303147562.801852925742.46726884920.184337917735-1.2507307876-0.275574569878-0.9337800280160.712851183758-0.127436573122-0.1745443447212.24200391463-1.343500747561.98845813321-0.441248651897-0.3647713322181.87304040994-0.07649024397051.26502995421-11.8125676734-18.66751821819.8208598616
402.96873972038-2.42639542006-0.06897590938861.992526547840.4454305994272.42748764810.4526254586511.02739608169-0.960798110911-0.8542476154840.04597029530720.9403761231540.1518865598480.252310542152-0.2115883200252.31781651065-0.528121510147-0.5010370811632.03465255702-0.1199567824621.19811630773-19.3010886965-8.2752156233714.970830805
410.417779384393-0.176362633733-0.375542670637.217277155122.360278093551.008813816550.666834095471-0.937123004918-0.735921470169-0.250181555152-0.0832454699002-2.24757364494-0.260069229737-2.346298137-0.3775921551562.070164500920.0164168751178-0.2998443072132.073907121260.6667193268111.49007413645-10.49044005416.361697618887.2410354664
421.280656138620.0957747165139-0.0009169096706081.50286085265-1.226009926390.66586610528-0.5406918083540.4733915115840.166920203791-0.9629523130790.3128588513450.820580990508-0.00380486191944-1.059577698680.1120181810521.56103614526-0.00944658866399-0.4358397654611.97088910054-0.04414596785241.31948034462-22.90632100370.099246444018624.9074559074
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 5 through 18 )
2X-RAY DIFFRACTION2chain 'A' and (resid 19 through 28 )
3X-RAY DIFFRACTION3chain 'A' and (resid 29 through 39 )
4X-RAY DIFFRACTION4chain 'A' and (resid 40 through 95 )
5X-RAY DIFFRACTION5chain 'A' and (resid 96 through 123 )
6X-RAY DIFFRACTION6chain 'A' and (resid 124 through 145 )
7X-RAY DIFFRACTION7chain 'A' and (resid 146 through 158 )
8X-RAY DIFFRACTION8chain 'A' and (resid 159 through 183 )
9X-RAY DIFFRACTION9chain 'B' and (resid 41 through 91 )
10X-RAY DIFFRACTION10chain 'B' and (resid 92 through 201 )
11X-RAY DIFFRACTION11chain 'B' and (resid 202 through 261 )
12X-RAY DIFFRACTION12chain 'C' and (resid 41 through 91 )
13X-RAY DIFFRACTION13chain 'C' and (resid 92 through 201 )
14X-RAY DIFFRACTION14chain 'C' and (resid 202 through 264 )
15X-RAY DIFFRACTION15chain 'D' and (resid 41 through 91 )
16X-RAY DIFFRACTION16chain 'D' and (resid 92 through 137 )
17X-RAY DIFFRACTION17chain 'D' and (resid 138 through 161 )
18X-RAY DIFFRACTION18chain 'D' and (resid 162 through 201 )
19X-RAY DIFFRACTION19chain 'D' and (resid 202 through 264 )
20X-RAY DIFFRACTION20chain 'E' and (resid 39 through 93 )
21X-RAY DIFFRACTION21chain 'E' and (resid 94 through 201 )
22X-RAY DIFFRACTION22chain 'E' and (resid 202 through 264 )
23X-RAY DIFFRACTION23chain 'F' and (resid 6 through 33 )
24X-RAY DIFFRACTION24chain 'F' and (resid 34 through 85 )
25X-RAY DIFFRACTION25chain 'F' and (resid 86 through 112 )
26X-RAY DIFFRACTION26chain 'F' and (resid 113 through 135 )
27X-RAY DIFFRACTION27chain 'F' and (resid 136 through 145 )
28X-RAY DIFFRACTION28chain 'F' and (resid 146 through 182 )
29X-RAY DIFFRACTION29chain 'G' and (resid 6 through 18 )
30X-RAY DIFFRACTION30chain 'G' and (resid 19 through 28 )
31X-RAY DIFFRACTION31chain 'G' and (resid 29 through 38 )
32X-RAY DIFFRACTION32chain 'G' and (resid 39 through 55 )
33X-RAY DIFFRACTION33chain 'G' and (resid 56 through 76 )
34X-RAY DIFFRACTION34chain 'G' and (resid 77 through 112 )
35X-RAY DIFFRACTION35chain 'G' and (resid 113 through 158 )
36X-RAY DIFFRACTION36chain 'G' and (resid 159 through 182 )
37X-RAY DIFFRACTION37chain 'H' and (resid 6 through 46 )
38X-RAY DIFFRACTION38chain 'H' and (resid 47 through 66 )
39X-RAY DIFFRACTION39chain 'H' and (resid 67 through 85 )
40X-RAY DIFFRACTION40chain 'H' and (resid 86 through 124 )
41X-RAY DIFFRACTION41chain 'H' and (resid 125 through 135 )
42X-RAY DIFFRACTION42chain 'H' and (resid 136 through 182 )

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