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- PDB-5nkm: SMG8-SMG9 complex -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 5nkm
TitleSMG8-SMG9 complex
Components
  • (Protein smg-8) x 2
  • (Protein smg-9) x 2
KeywordsRNA BINDING PROTEIN / SMG8-SMG9 complex NMD effector proteins
Function / homology
Function and homology information


Nonsense Mediated Decay (NMD) enhanced by the Exon Junction Complex (EJC) / striated muscle dense body / molecular sequestering activity / nuclear-transcribed mRNA catabolic process, nonsense-mediated decay / cytoplasm
Similarity search - Function
Nonsense-mediated mRNA decay factor SMG8 / Nonsense-mediated mRNA decay factor SMG8/SMG9 / Smg8_Smg9 / Nonsense-mediated mRNA decay factor SMG9 / P-loop containing nucleoside triphosphate hydrolase
Similarity search - Domain/homology
DI(HYDROXYETHYL)ETHER / Nonsense-mediated mRNA decay factor SMG8 / Nonsense-mediated mRNA decay factor SMG9
Similarity search - Component
Biological speciesCaenorhabditis elegans (invertebrata)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.493 Å
AuthorsLi, L. / Basquin, J. / Conti, E.
CitationJournal: RNA / Year: 2017
Title: Structure of a SMG8-SMG9 complex identifies a G-domain heterodimer in the NMD effector proteins.
Authors: Li, L. / Lingaraju, M. / Basquin, C. / Basquin, J. / Conti, E.
History
DepositionMar 31, 2017Deposition site: PDBE / Processing site: PDBE
Revision 1.0Apr 19, 2017Provider: repository / Type: Initial release
Revision 1.1Jun 28, 2017Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 2.0Nov 15, 2023Group: Atomic model / Data collection ...Atomic model / Data collection / Database references / Refinement description
Category: atom_site / chem_comp_atom ...atom_site / chem_comp_atom / chem_comp_bond / database_2 / struct_ncs_dom_lim
Item: _atom_site.Cartn_x / _atom_site.Cartn_y ..._atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_atom_id / _atom_site.label_atom_id / _atom_site.occupancy / _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: Protein smg-8
B: Protein smg-9
C: Protein smg-8
D: Protein smg-9
E: Protein smg-8
F: Protein smg-9
hetero molecules


Theoretical massNumber of molelcules
Total (without water)259,87621
Polymers258,7376
Non-polymers1,13915
Water3,063170
1
A: Protein smg-8
B: Protein smg-9
hetero molecules


Theoretical massNumber of molelcules
Total (without water)87,7494
Polymers87,6252
Non-polymers1242
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3980 Å2
ΔGint-10 kcal/mol
Surface area26960 Å2
MethodPISA
2
C: Protein smg-8
D: Protein smg-9
hetero molecules


Theoretical massNumber of molelcules
Total (without water)86,8219
Polymers86,2392
Non-polymers5837
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5420 Å2
ΔGint6 kcal/mol
Surface area27210 Å2
MethodPISA
3
E: Protein smg-8
F: Protein smg-9
hetero molecules


Theoretical massNumber of molelcules
Total (without water)85,3058
Polymers84,8732
Non-polymers4326
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4310 Å2
ΔGint-6 kcal/mol
Surface area27140 Å2
MethodPISA
Unit cell
Length a, b, c (Å)111.085, 111.085, 374.474
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number154
Space group name H-MP3221
Components on special symmetry positions
IDModelComponents
11A-612-

HOH

Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain B and (resid 59 through 82 or (resid 83...
21(chain D and (resid 59 through 80 or (resid 81...
31(chain F and (resid 59 through 80 or (resid 81...
12(chain A and (resid 1 through 127 or (resid 128...
22(chain C and (resid 1 through 7 or (resid 8...
32(chain E and (resid 1 through 4 or (resid 5...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111MSEMSESERSER(chain B and (resid 59 through 82 or (resid 83...BB59 - 821 - 24
121SERSERSERSER(chain B and (resid 59 through 82 or (resid 83...BB8325
131MSEMSEASPASP(chain B and (resid 59 through 82 or (resid 83...BB59 - 3641 - 306
141MSEMSEASPASP(chain B and (resid 59 through 82 or (resid 83...BB59 - 3641 - 306
151MSEMSEASPASP(chain B and (resid 59 through 82 or (resid 83...BB59 - 3641 - 306
161MSEMSEASPASP(chain B and (resid 59 through 82 or (resid 83...BB59 - 3641 - 306
211MSEMSELEULEU(chain D and (resid 59 through 80 or (resid 81...DD59 - 801 - 22
221THRTHRTHRTHR(chain D and (resid 59 through 80 or (resid 81...DD8123
231MSEMSETHRTHR(chain D and (resid 59 through 80 or (resid 81...DD59 - 3631 - 305
241MSEMSETHRTHR(chain D and (resid 59 through 80 or (resid 81...DD59 - 3631 - 305
251MSEMSETHRTHR(chain D and (resid 59 through 80 or (resid 81...DD59 - 3631 - 305
261MSEMSETHRTHR(chain D and (resid 59 through 80 or (resid 81...DD59 - 3631 - 305
311MSEMSELEULEU(chain F and (resid 59 through 80 or (resid 81...FF59 - 801 - 22
321THRTHRTHRTHR(chain F and (resid 59 through 80 or (resid 81...FF8123
331MSEMSETHRTHR(chain F and (resid 59 through 80 or (resid 81...FF59 - 3631 - 305
341MSEMSETHRTHR(chain F and (resid 59 through 80 or (resid 81...FF59 - 3631 - 305
351MSEMSETHRTHR(chain F and (resid 59 through 80 or (resid 81...FF59 - 3631 - 305
361MSEMSETHRTHR(chain F and (resid 59 through 80 or (resid 81...FF59 - 3631 - 305
112MSEMSEGLUGLU(chain A and (resid 1 through 127 or (resid 128...AA1 - 1271 - 127
122GLNGLNGLNGLN(chain A and (resid 1 through 127 or (resid 128...AA128128
132MSEMSESERSER(chain A and (resid 1 through 127 or (resid 128...AA1 - 4201 - 420
142MSEMSESERSER(chain A and (resid 1 through 127 or (resid 128...AA1 - 4201 - 420
152MSEMSESERSER(chain A and (resid 1 through 127 or (resid 128...AA1 - 4201 - 420
162MSEMSESERSER(chain A and (resid 1 through 127 or (resid 128...AA1 - 4201 - 420
212MSEMSEVALVAL(chain C and (resid 1 through 7 or (resid 8...CC1 - 71 - 7
222GLUGLUGLUGLU(chain C and (resid 1 through 7 or (resid 8...CC88
232MSEMSESERSER(chain C and (resid 1 through 7 or (resid 8...CC1 - 4201 - 420
242MSEMSESERSER(chain C and (resid 1 through 7 or (resid 8...CC1 - 4201 - 420
252MSEMSESERSER(chain C and (resid 1 through 7 or (resid 8...CC1 - 4201 - 420
262MSEMSESERSER(chain C and (resid 1 through 7 or (resid 8...CC1 - 4201 - 420
312MSEMSEALAALA(chain E and (resid 1 through 4 or (resid 5...EE1 - 41 - 4
322LYSLYSLYSLYS(chain E and (resid 1 through 4 or (resid 5...EE55
332MSEMSEGLNGLN(chain E and (resid 1 through 4 or (resid 5...EE1 - 4191 - 419
342MSEMSEGLNGLN(chain E and (resid 1 through 4 or (resid 5...EE1 - 4191 - 419
352MSEMSEGLNGLN(chain E and (resid 1 through 4 or (resid 5...EE1 - 4191 - 419
362MSEMSEGLNGLN(chain E and (resid 1 through 4 or (resid 5...EE1 - 4191 - 419

NCS ensembles :
ID
1
2

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Components

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Protein , 4 types, 6 molecules ACBDFE

#1: Protein Protein smg-8 / Suppressor with morphogenetic effect on genitalia protein 8


Mass: 50393.395 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Caenorhabditis elegans (invertebrata) / Gene: smg-8, K04B12.3 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: O62301
#2: Protein Protein smg-9 / Suppressor with morphogenetic effect on genitalia protein 9


Mass: 37231.883 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Caenorhabditis elegans (invertebrata) / Gene: smg-9, Y54E2A.2 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: Q9XWJ1
#3: Protein Protein smg-9 / Suppressor with morphogenetic effect on genitalia protein 9


Mass: 35845.445 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Caenorhabditis elegans (invertebrata) / Gene: smg-9, Y54E2A.2 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: Q9XWJ1
#4: Protein Protein smg-8 / Suppressor with morphogenetic effect on genitalia protein 8


Mass: 49027.074 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Caenorhabditis elegans (invertebrata) / Gene: smg-8, K04B12.3 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: O62301

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Non-polymers , 4 types, 185 molecules

#5: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C2H6O2
#6: Chemical ChemComp-TRS / 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / TRIS BUFFER


Mass: 122.143 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H12NO3 / Comment: pH buffer*YM
#7: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H10O3
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 170 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

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

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Sample preparation

CrystalDensity Matthews: 3.07 Å3/Da / Density % sol: 59.96 %
Crystal growTemperature: 285 K / Method: vapor diffusion, hanging drop / pH: 8.5 / Details: 10% PEG3350, 0.1M Tris pH 8.5

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 0.979 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: May 27, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 2.493→52.36 Å / Num. obs: 188934 / % possible obs: 98 % / Redundancy: 39 % / Rmerge(I) obs: 0.1374 / Net I/σ(I): 27.25
Reflection shellResolution: 2.493→2.583 Å / Rmerge(I) obs: 2.587

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Processing

Software
NameVersionClassification
PHENIX1.11.1_2575refinement
PDB_EXTRACT3.22data extraction
XDSdata reduction
XDSdata scaling
SHELXDphasing
RefinementMethod to determine structure: SAD / Resolution: 2.493→62.412 Å / SU ML: 0.37 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 32.41
RfactorNum. reflection% reflection
Rfree0.2602 8972 4.99 %
Rwork0.2247 --
obs0.2264 179816 99.76 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 264.81 Å2 / Biso mean: 96.4963 Å2 / Biso min: 49.12 Å2
Refinement stepCycle: final / Resolution: 2.493→62.412 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms14115 0 184 170 14469
Biso mean--115.86 75.87 -
Num. residues----1824
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00314373
X-RAY DIFFRACTIONf_angle_d0.56819433
X-RAY DIFFRACTIONf_chiral_restr0.042308
X-RAY DIFFRACTIONf_plane_restr0.0042500
X-RAY DIFFRACTIONf_dihedral_angle_d13.2558762
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11B4224X-RAY DIFFRACTION9.595TORSIONAL
12D4224X-RAY DIFFRACTION9.595TORSIONAL
13F4224X-RAY DIFFRACTION9.595TORSIONAL
21A5583X-RAY DIFFRACTION9.595TORSIONAL
22C5583X-RAY DIFFRACTION9.595TORSIONAL
23E5583X-RAY DIFFRACTION9.595TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.4934-2.52180.4923170.43515383570094
2.5218-2.55140.3963060.386856335939100
2.5514-2.58260.33863160.360257816097100
2.5826-2.61530.41542720.356356355907100
2.6153-2.64970.34352620.342158066068100
2.6497-2.6860.35672940.334356215915100
2.686-2.72430.32133060.323957166022100
2.7243-2.7650.35143410.329456846025100
2.765-2.80820.33483320.312456375969100
2.8082-2.85420.32683140.306157626076100
2.8542-2.90350.37212340.291357916025100
2.9035-2.95630.33632570.295456695926100
2.9563-3.01310.31273020.278957846086100
3.0131-3.07460.2843040.271256685972100
3.0746-3.14150.30343000.270856945994100
3.1415-3.21450.26542980.262456695967100
3.2145-3.29490.2773040.251356976001100
3.2949-3.3840.28242960.254457816077100
3.384-3.48360.29032740.246557386012100
3.4836-3.5960.26123140.230456735987100
3.596-3.72450.25883000.217757126012100
3.7245-3.87360.2373180.198656445962100
3.8736-4.04990.23113520.195156315983100
4.0499-4.26340.21913300.187157386068100
4.2634-4.53040.22342680.166757095977100
4.5304-4.88010.20263340.168556866020100
4.8801-5.37090.21563060.189157106016100
5.3709-6.14750.25892510.218757646015100
6.1475-7.74290.25473010.216257066007100
7.7429-62.43190.23732690.191157225991100
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
18.06460.8942-2.18043.33114.83738.56630.9057-1.68221.99470.79330.5667-2.5854-0.44961.8837-1.27380.7685-0.1358-0.20110.692-0.19921.6622100.6302196.5642421.3497
25.6357-3.0033-0.43725.8507-0.09391.9494-0.01780.0440.8172-0.0785-0.0346-1.251-0.44290.30640.01550.6707-0.08310.01540.62380.08620.94399.8085193.6927412.6272
33.1541-2.9468-4.0022.78983.61078.0077-0.3030.13910.72990.52250.1436-0.82560.27580.4560.31390.60150.0285-0.07760.70830.00410.8833102.4455171.6276420.7473
46.82860.63530.85628.3176-1.60222.397-0.02730.20680.7051-0.2234-0.1012-0.47380.25560.62270.09210.61320.07080.10740.63280.08990.6589.9864185.8831411.4945
51.8252-1.2901-0.2844.4640.26796.593-0.0903-0.1688-0.12590.47850.05810.9302-0.21320.05190.00050.5251-0.03320.09410.6330.01570.829981.811187.8307420.3169
69.2445-0.52133.64497.9157-2.6512.19380.49080.31420.6032-1.2648-0.34750.50240.7366-1.31040.05871.0082-0.0516-0.00321.2461-0.1040.99883.3114183.3283393.4271
72.4884-0.93971.29811.89140.263.175-0.0460.11770.359-0.0067-0.04460.1324-0.37030.00860.13360.6102-0.00370.10660.62410.0580.803184.7553190.8435412.1427
84.5113-3.70293.31775.727-5.48855.2216-0.0294-0.9875-0.24440.63030.58621.15220.2779-0.045-0.4850.86530.06690.02240.84460.18830.599597.4957152.8172428.5623
98.79824.05672.7695.43370.57448.17281.2195-0.7468-0.89711.1584-0.3447-1.08930.99380.068-0.83690.90540.0521-0.15190.86150.18590.816105.5002149.9783427.204
100.73981.405-1.51794.3926-2.32733.2892-0.6426-0.40560.11890.87670.60850.0821-0.3613-0.4194-0.22051.91-0.5189-0.52132.13230.72630.8241103.6895142.8782440.6336
114.60395.3318-4.72876.1786-5.45194.8862-0.31971.0561-0.4676-1.0265-0.0021-0.50842.1714-0.8160.54660.8139-0.02670.06730.8548-0.15490.836293.7466147.5236390.1926
121.9880.3332-0.35862.4628-0.66681.27520.11720.49220.089-0.24460.1637-0.38160.53510.1069-0.14130.68060.03310.0060.697-0.25321.154793.9126140.8491396.7455
131.5649-2.2562.5434.8054-2.33837.211-0.18160.8418-0.0007-0.49030.008-0.7770.05160.48160.17120.5408-0.03280.17690.87320.05010.7232101.9956157.1964389.5318
149.3282-0.5308-0.41035.47040.87325.9867-0.14410.4048-0.5685-0.40730.12080.2235-0.18190.8053-0.0730.6257-0.07010.02140.8344-0.0370.813295.9897153.385393.2517
153.92013.4914-1.85358.4224-2.54364.03690.07840.1991-0.07450.0066-0.1292-0.27850.1651-0.04720.05010.39620.0469-0.01920.66990.00120.5001100.8534158.4546406.5789
168.695.0347-0.79125.8707-3.64938.5634-0.08560.6129-0.06080.24930.6892-0.6797-0.33750.3795-0.5590.62660.0468-0.00510.7720.08870.9488113.7033175.22402.2659
174.6958-0.73040.77543.2854-1.63516.71950.1770.1343-0.0526-0.1293-0.2462-1.1408-0.05781.00590.19160.53770.09240.09060.70730.05820.9667111.0812164.9524403.7883
183.5838-2.9966-3.99073.5164.13375.86070.38242.1298-0.1449-2.3376-1.0653-1.18330.02170.76570.22170.93680.19940.2141.4332-0.08790.8482112.501159.6323389.1354
193.3967-0.4618-1.25886.75021.3454.9867-0.02270.1671-0.7227-0.3843-0.0362-0.33790.4130.37090.03460.52380.0356-0.03790.5796-0.01390.9139100.731144.6257408.0397
206.8832-1.46874.65312.3273-1.76813.55150.6271-0.31672.0655-0.3815-0.1905-1.3661-0.9751-1.1223-0.30480.9723-0.00050.15311.16820.15121.900985.3529162.3669419.1383
218.43391.9131.16143.9010.49781.92960.20010.0157-1.2672-0.01730.0992-0.33290.25910.1539-0.36570.61670.1126-0.01070.4617-0.12390.792469.6149123.6651405.5877
224.1982-4.2437-1.48444.3372.01265.9316-0.4052-0.0884-2.75840.57720.13351.55860.8124-0.25120.10630.68660.0790.08930.64130.10331.162744.9713127.0148413.9481
238.4334-1.2738-2.36136.2024-1.9721.8306-0.2405-0.0975-0.13520.16920.24370.49590.2-0.48110.0390.56960.0853-0.05560.522-0.13960.461162.2922138.4461408.1219
243.51570.75820.50211.4576-0.60796.8238-0.0267-0.61930.14820.46130.1428-0.522-0.08710.2228-0.11620.67170.1337-0.07480.6563-0.14050.820275.6249141.0865416.2759
253.1429-0.8553-0.17190.7861-1.92327.0810.32551.4356-0.16490.00580.1735-1.2346-0.9718-0.7957-0.70650.7557-0.02630.01760.8590.10850.780365.3475145.3505389.6864
264.7384-0.53460.55164.0845-0.86633.0672-0.1460.02170.11720.03230.216-0.4308-0.090.0056-0.09970.58160.0297-0.010.5403-0.15590.59172.4221138.3324406.1325
271.20630.5677-0.91183.69572.30342.86080.0474-1.50180.34011.01540.9075-0.2554-0.7702-0.3647-0.22971.11850.44640.69081.33130.35120.626933.2019143.2907424.5675
283.31112.97681.72983.01192.56483.899-0.0739-0.60770.31540.7094-0.82311.2135-0.1567-2.37070.35631.11770.44911.08361.71820.48981.887117.2145140.6057424.2406
297.2713-3.4192.56883.66572.60947.9630.1628-2.1984-0.98551.83781.09862.53360.4362-1.1335-0.96020.98760.01380.37651.05970.36711.404329.2768137.1656419.2416
304.73942.99835.00354.59426.51939.4495-0.9106-1.7792-1.35910.896-1.636-0.71412.1809-0.90952.02151.84450.40860.51051.65210.50571.138823.5429138.0675433.6554
318.00170.5179-0.23257.09863.07888.530.16410.538-0.4488-1.3097-0.44541.1246-0.2331-0.51480.19990.71760.1347-0.19140.723-0.00610.891628.3029156.4268392.195
323.7457-1.5375-4.93595.42430.12559.0226-0.33881.5985-0.392-1.2224-00.84860.4947-0.69590.30950.75250.0066-0.16950.7882-0.21670.794932.5914141.915388.7292
332.00226.83792.42996.37584.30694.59820.0412.8525-1.0223-3.76992.40890.89571.98960.5066-2.08082.41720.3859-0.60941.3569-0.24051.284237.9219145.0691374.5828
342.93030.21640.34742.89531.07313.42880.07920.5072-0.1451-1.3384-0.21860.5849-0.2074-0.2530.00880.87310.0628-0.13510.6321-0.08230.760334.4209149.8621390.6865
356.15330.05020.67374.3642-4.33674.701-0.87590.0767-0.5171-0.5471-0.4512-0.506-2.82640.86161.40891.30970.0523-0.23940.94410.06790.88550.0481151.1718404.2112
362.9448-2.17841.549.0799-0.5474.72880.0784-0.141-0.60870.1346-0.06080.42840.06810.07950.04660.4798-0.06340.00820.4792-0.00350.578938.2286141.2741403.3231
374.6143-2.6424-1.82065.68551.98154.59410.07710.2515-1.437-0.3298-0.12391.45490.0334-0.13120.16650.5794-0.0704-0.13460.5925-0.10431.139935.919130.4872398.7074
385.18662.86012.0053.1358-0.65552.93751.34990.6479-1.2263-1.1931-0.91210.52451.4552-1.1359-0.10491.45820.1491-0.40081.1385-0.16191.197331.4028131.4157382.6019
394.70572.2484-1.00196.88044.66784.5427-0.06540.4813-1.3358-0.0142-0.55171.95790.1579-0.89920.54990.62520.042-0.07450.792-0.02531.494821.3381145.762402.352
403.72851.91793.79439.33133.88744.31350.33650.0565-0.90490.21180.9283-2.30960.23590.1854-1.2770.81820.1467-0.08320.8343-0.02741.044541.7328149.9251414.3332
416.35230.79510.86028.88330.14041.7932-0.00190.03990.48420.2283-0.07760.9097-0.1042-0.45460.06210.43560.12450.00220.610.04460.676220.8155183.5236407.9236
428.49767.88652.76419.69783.94893.4930.01470.05850.18360.20.21940.3691-0.1927-0.2905-0.19490.59490.08890.0470.66170.12310.748527.2514189.8737410.4214
435.30224.53062.49754.23562.96422.8524-0.0183-0.33480.3362-0.028-0.24070.4826-0.2982-0.17830.29930.56340.111-0.02320.5870.03460.558335.5375187.9881414.7307
442.69270.6568-1.17774.2674-0.51772.87180.0205-0.3229-0.42170.3125-0-0.38730.0601-0.0535-0.00950.56780.0326-0.08940.64470.10310.700936.8557173.0657414.6664
455.70360.58321.9925.3466-0.35042.8226-0.64562.21661.6101-0.98161.09810.01010.06720.0267-0.40161.7542-0.0108-0.12471.10040.09871.1238.0014185.4276384.6868
466.82770.53843.24125.64770.07766.0341-0.02070.7122-0.0409-0.81450.0733-0.5255-0.08180.38280.00420.56440.06490.12910.54960.01230.552239.0152174.9828397.751
477.47033.96093.50174.4884.02088.96630.1019-0.4575-0.03930.59410.04761.10950.3229-0.3742-0.12890.59090.0675-0.01260.66170.14910.659225.124174.0292419.2546
487.2764.17683.3712.98942.59142.2660.4414-0.4878-0.2580.9292-0.30560.55430.0444-0.2919-0.37991.08990.032-0.17630.81190.03850.656855.5511202.4723432.5111
497.3374-1.3468-0.19016.4089-2.92356.06340.6535-1.59680.42531.5173-0.135-0.4802-1.2466-0.2583-0.57991.3553-0.0923-0.0491.0909-0.16170.667254.8325211.5207432.138
509.36853.2741.24414.9102-3.06953.42230.09711.3427-2.139-3.2542-1.5622-0.06434.4532.10991.22182.02480.4969-0.19171.4816-0.43271.076957.4833212.1849446.3383
517.7405-2.27582.87554.3594-5.53016.9127-0.44650.84430.4987-0.1643-0.0946-0.4539-0.48740.43160.80660.69810.04710.07770.77540.19870.914769.9606204.0047399.7936
522.7623-2.3692-1.10783.07593.53646.9768-0.37010.90411.60180.1143-0.3472-0.2932-1.20860.81060.57340.802-0.1748-0.0820.71160.28861.555372.505214.7492402.4142
535.6861.68691.20761.71362.81837.9853-0.25020.79110.4524-0.404-0.11850.0227-0.81170.1540.54340.66740.0258-0.11470.68610.22250.783959.1452208.3655395.1402
541.56970.0395-0.33315.6475-4.9117.68830.45120.1959-2.93430.7913-0.8103-0.12232.0193-0.16070.45741.41530.1662-0.21530.8671-0.13171.280855.7492193.3775404.9792
554.58761.86431.77993.22860.70515.1336-0.31890.01520.460.10670.0448-0.0528-0.39630.04410.41040.66220.0747-0.07760.48150.02060.722950.1127206.1778408.8433
562.70133.084-0.07496.47473.24023.9375-0.2406-0.0131.73020.1390.02060.4571-0.4596-0.43560.32650.74180.0897-0.11170.5681-0.0691.047941.5545211.6088411.7377
578.50663.7525-1.89457.01-3.01731.3291-0.75151.42011.0559-0.83810.79790.57030.3016-0.039-0.051.0732-0.0918-0.15380.85160.34540.870246.2809215.083394.208
588.8089-2.8421-2.48477.10441.61443.3471-0.3947-0.41662.12370.04720.5999-0.4279-1.13750.1483-0.19631.03710.0269-0.11090.73510.06531.515263.782220.8802410.9632
599.7709-0.4854-0.81197.7037-5.2433.80920.24670.1861-0.19270.6418-0.2729-0.34620.35151.8280.23750.90430.1189-0.1920.7553-0.11061.180167.4776206.4809416.5038
603.3314.8351-3.82547.2513-5.83494.72871.41890.3242-1.167-1.6833-0.76293.611.50470.8697-0.83060.91940.1363-0.32680.7895-0.07761.506856.4472192.0732420.1106
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1(chain A and resid 1:6)A1 - 6
2X-RAY DIFFRACTION2(chain A and resid 7:92)A7 - 92
3X-RAY DIFFRACTION3(chain A and resid 93:109)A93 - 109
4X-RAY DIFFRACTION4(chain A and resid 110:133)A110 - 133
5X-RAY DIFFRACTION5(chain A and resid 134:191)A134 - 191
6X-RAY DIFFRACTION6(chain A and resid 192:221)A192 - 221
7X-RAY DIFFRACTION7(chain A and resid 222:329)A222 - 329
8X-RAY DIFFRACTION8(chain A and resid 330:388)A330 - 388
9X-RAY DIFFRACTION9(chain A and resid 389:413)A389 - 413
10X-RAY DIFFRACTION10(chain A and resid 414:420)A414 - 420
11X-RAY DIFFRACTION11(chain B and resid 59:66)B59 - 66
12X-RAY DIFFRACTION12(chain B and resid 67:84)B67 - 84
13X-RAY DIFFRACTION13(chain B and resid 85:117)B85 - 117
14X-RAY DIFFRACTION14(chain B and resid 118:155)B118 - 155
15X-RAY DIFFRACTION15(chain B and resid 172:247)B172 - 247
16X-RAY DIFFRACTION16(chain B and resid 248:257)B248 - 257
17X-RAY DIFFRACTION17(chain B and resid 258:307)B258 - 307
18X-RAY DIFFRACTION18(chain B and resid 308:320)B308 - 320
19X-RAY DIFFRACTION19(chain B and resid 321:358)B321 - 358
20X-RAY DIFFRACTION20(chain B and resid 359:364)B359 - 364
21X-RAY DIFFRACTION21(chain C and resid 1:86)C1 - 86
22X-RAY DIFFRACTION22(chain C and resid 87:105)C87 - 105
23X-RAY DIFFRACTION23(chain C and resid 106:148)C106 - 148
24X-RAY DIFFRACTION24(chain C and resid 149:191)C149 - 191
25X-RAY DIFFRACTION25(chain C and resid 192:222)C192 - 222
26X-RAY DIFFRACTION26(chain C and resid 223:329)C223 - 329
27X-RAY DIFFRACTION27(chain C and resid 330:384)C330 - 384
28X-RAY DIFFRACTION28(chain C and resid 385:393)C385 - 393
29X-RAY DIFFRACTION29(chain C and resid 394:406)C394 - 406
30X-RAY DIFFRACTION30(chain C and resid 407:420)C407 - 420
31X-RAY DIFFRACTION31(chain D and resid 59:81)D59 - 81
32X-RAY DIFFRACTION32(chain D and resid 82:109)D82 - 109
33X-RAY DIFFRACTION33(chain D and resid 110:118)D110 - 118
34X-RAY DIFFRACTION34(chain D and resid 119:154)D119 - 154
35X-RAY DIFFRACTION35(chain D and resid 155:174)D155 - 174
36X-RAY DIFFRACTION36(chain D and resid 175:219)D175 - 219
37X-RAY DIFFRACTION37(chain D and resid 220:284)D220 - 284
38X-RAY DIFFRACTION38(chain D and resid 305:320)D305 - 320
39X-RAY DIFFRACTION39(chain D and resid 321:351)D321 - 351
40X-RAY DIFFRACTION40(chain D and resid 352:363)D352 - 363
41X-RAY DIFFRACTION41(chain E and resid 1:67)E1 - 67
42X-RAY DIFFRACTION42(chain E and resid 68:92)E68 - 92
43X-RAY DIFFRACTION43(chain E and resid 93:129)E93 - 129
44X-RAY DIFFRACTION44(chain E and resid 130:191)E130 - 191
45X-RAY DIFFRACTION45(chain E and resid 192:207)E192 - 207
46X-RAY DIFFRACTION46(chain E and resid 208:302)E208 - 302
47X-RAY DIFFRACTION47(chain E and resid 303:328)E303 - 328
48X-RAY DIFFRACTION48(chain E and resid 329:386)E329 - 386
49X-RAY DIFFRACTION49(chain E and resid 387:413)E387 - 413
50X-RAY DIFFRACTION50(chain E and resid 414:419)E414 - 419
51X-RAY DIFFRACTION51(chain F and resid 59:71)F59 - 71
52X-RAY DIFFRACTION52(chain F and resid 72:84)F72 - 84
53X-RAY DIFFRACTION53(chain F and resid 85:151)F85 - 151
54X-RAY DIFFRACTION54(chain F and resid 152:173)F152 - 173
55X-RAY DIFFRACTION55(chain F and resid 174:256)F174 - 256
56X-RAY DIFFRACTION56(chain F and resid 257:277)F257 - 277
57X-RAY DIFFRACTION57(chain F and resid 278:322)F278 - 322
58X-RAY DIFFRACTION58(chain F and resid 323:339)F323 - 339
59X-RAY DIFFRACTION59(chain F and resid 340:353)F340 - 353
60X-RAY DIFFRACTION60(chain F and resid 354:363)F354 - 363

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