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- PDB-5nkk: SMG8-SMG9 complex GDP bound -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 5nkk
TitleSMG8-SMG9 complex GDP bound
Components
  • Protein smg-8
  • Protein smg-9
KeywordsTRANSCRIPTION / 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 / nuclear-transcribed mRNA catabolic process, nonsense-mediated decay / molecular sequestering activity / cytoplasm
Similarity search - Function
Nonsense-mediated mRNA decay factor SMG8/SMG9 / Smg8_Smg9 / Nonsense-mediated mRNA decay factor SMG9 / P-loop containing nucleotide triphosphate hydrolases / Rossmann fold / P-loop containing nucleoside triphosphate hydrolase / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
GUANOSINE-5'-DIPHOSPHATE / PYROPHOSPHATE 2- / Nonsense-mediated mRNA decay factor SMG8 / Nonsense-mediated mRNA decay factor SMG9
Similarity search - Component
Biological speciesCaenorhabditis elegans (invertebrata)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.64 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 1.2Oct 16, 2019Group: Data collection / Category: reflns_shell
Revision 1.3May 8, 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: 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)260,48610
Polymers259,7816
Non-polymers7064
Water3,027168
1
A: Protein smg-8
B: Protein smg-9


Theoretical massNumber of molelcules
Total (without water)86,5942
Polymers86,5942
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3200 Å2
ΔGint-20 kcal/mol
Surface area26180 Å2
MethodPISA
2
C: Protein smg-8
D: Protein smg-9
hetero molecules


Theoretical massNumber of molelcules
Total (without water)86,7703
Polymers86,5942
Non-polymers1761
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3680 Å2
ΔGint-21 kcal/mol
Surface area25640 Å2
MethodPISA
3
E: Protein smg-8
F: Protein smg-9
hetero molecules


Theoretical massNumber of molelcules
Total (without water)87,1235
Polymers86,5942
Non-polymers5303
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4100 Å2
ΔGint-39 kcal/mol
Surface area27120 Å2
MethodPISA
Unit cell
Length a, b, c (Å)110.605, 110.605, 360.266
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-507-

HOH

Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 1 through 10 or (resid 11...
21(chain C and (resid 1 through 20 or (resid 21...
31(chain E and (resid 1 through 4 or (resid 5...
12(chain B and (resid 59 through 61 or (resid 62...
22(chain D and (resid 59 through 61 or (resid 62...
32(chain F and (resid 59 through 112 or (resid 113...

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
111METMETALAALA(chain A and (resid 1 through 10 or (resid 11...AA1 - 101 - 10
121ARGARGARGARG(chain A and (resid 1 through 10 or (resid 11...AA1111
131METMETGLNGLN(chain A and (resid 1 through 10 or (resid 11...AA1 - 4191 - 419
141METMETGLNGLN(chain A and (resid 1 through 10 or (resid 11...AA1 - 4191 - 419
151METMETGLNGLN(chain A and (resid 1 through 10 or (resid 11...AA1 - 4191 - 419
161METMETGLNGLN(chain A and (resid 1 through 10 or (resid 11...AA1 - 4191 - 419
211METMETTHRTHR(chain C and (resid 1 through 20 or (resid 21...CC1 - 201 - 20
221LYSLYSLYSLYS(chain C and (resid 1 through 20 or (resid 21...CC2121
231METMETMETMET(chain C and (resid 1 through 20 or (resid 21...CC1 - 4171 - 417
241METMETMETMET(chain C and (resid 1 through 20 or (resid 21...CC1 - 4171 - 417
251METMETMETMET(chain C and (resid 1 through 20 or (resid 21...CC1 - 4171 - 417
261METMETMETMET(chain C and (resid 1 through 20 or (resid 21...CC1 - 4171 - 417
311METMETALAALA(chain E and (resid 1 through 4 or (resid 5...EE1 - 41 - 4
321LYSLYSLYSLYS(chain E and (resid 1 through 4 or (resid 5...EE55
331METMETASPASP(chain E and (resid 1 through 4 or (resid 5...EE1 - 4211 - 421
341METMETASPASP(chain E and (resid 1 through 4 or (resid 5...EE1 - 4211 - 421
351METMETASPASP(chain E and (resid 1 through 4 or (resid 5...EE1 - 4211 - 421
361METMETASPASP(chain E and (resid 1 through 4 or (resid 5...EE1 - 4211 - 421
112METMETGLUGLU(chain B and (resid 59 through 61 or (resid 62...BB59 - 611 - 3
122SERSERSERSER(chain B and (resid 59 through 61 or (resid 62...BB624
132METMETTHRTHR(chain B and (resid 59 through 61 or (resid 62...BB59 - 3631 - 305
142METMETTHRTHR(chain B and (resid 59 through 61 or (resid 62...BB59 - 3631 - 305
152METMETTHRTHR(chain B and (resid 59 through 61 or (resid 62...BB59 - 3631 - 305
162METMETTHRTHR(chain B and (resid 59 through 61 or (resid 62...BB59 - 3631 - 305
212METMETGLUGLU(chain D and (resid 59 through 61 or (resid 62...DD59 - 611 - 3
222SERSERSERSER(chain D and (resid 59 through 61 or (resid 62...DD624
232METMETASPASP(chain D and (resid 59 through 61 or (resid 62...DD59 - 3641 - 306
242METMETASPASP(chain D and (resid 59 through 61 or (resid 62...DD59 - 3641 - 306
252METMETASPASP(chain D and (resid 59 through 61 or (resid 62...DD59 - 3641 - 306
262METMETASPASP(chain D and (resid 59 through 61 or (resid 62...DD59 - 3641 - 306
312METMETARGARG(chain F and (resid 59 through 112 or (resid 113...FF59 - 1121 - 54
322GLNGLNTYRTYR(chain F and (resid 59 through 112 or (resid 113...FF113 - 11855 - 60
332METMETASPASP(chain F and (resid 59 through 112 or (resid 113...FF59 - 3641 - 306
342METMETASPASP(chain F and (resid 59 through 112 or (resid 113...FF59 - 3641 - 306
352METMETASPASP(chain F and (resid 59 through 112 or (resid 113...FF59 - 3641 - 306
362METMETASPASP(chain F and (resid 59 through 112 or (resid 113...FF59 - 3641 - 306

NCS ensembles :
ID
1
2

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Components

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Protein , 2 types, 6 molecules ACEBDF

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


Mass: 49783.762 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Caenorhabditis elegans (invertebrata) / Gene: smg-8, K04B12.3 / Plasmid: multibac pFL / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: O62301
#2: Protein Protein smg-9 / Suppressor with morphogenetic effect on genitalia protein 9


Mass: 36809.828 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Caenorhabditis elegans (invertebrata) / Gene: smg-9, Y54E2A.2 / Plasmid: multibac pFL / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: Q9XWJ1

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Non-polymers , 5 types, 172 molecules

#3: Chemical ChemComp-POP / PYROPHOSPHATE 2-


Mass: 175.959 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: H2O7P2
#4: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C2H6O2
#5: Chemical ChemComp-GDP / GUANOSINE-5'-DIPHOSPHATE


Type: RNA linking / Mass: 443.201 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C10H15N5O11P2 / Comment: GDP, energy-carrying molecule*YM
#6: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Mg
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 168 / 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: 3.01 Å3/Da / Density % sol: 59.13 %
Crystal growTemperature: 285 K / Method: vapor diffusion, hanging drop / 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: 0.9785 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Jun 27, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9785 Å / Relative weight: 1
ReflectionResolution: 2.6→47.893 Å / Num. obs: 152344 / % possible obs: 99 % / Redundancy: 10 % / Net I/σ(I): 12.39

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Processing

Software
NameVersionClassification
PHENIX1.11.1_2575refinement
PDB_EXTRACT3.22data extraction
XDSdata reduction
XDSdata scaling
SHELXDphasing
RefinementResolution: 2.64→47.893 Å / SU ML: 0.41 / Cross valid method: FREE R-VALUE / σ(F): 1.14 / Phase error: 30.8
RfactorNum. reflection% reflection
Rfree0.2741 7231 5 %
Rwork0.232 --
obs0.2341 144590 99.83 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 191.86 Å2 / Biso mean: 81.4195 Å2 / Biso min: 30 Å2
Refinement stepCycle: final / Resolution: 2.64→47.893 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13529 0 42 168 13739
Biso mean--124.72 64.93 -
Num. residues----1784
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00313755
X-RAY DIFFRACTIONf_angle_d0.70718662
X-RAY DIFFRACTIONf_chiral_restr0.0462259
X-RAY DIFFRACTIONf_plane_restr0.0042393
X-RAY DIFFRACTIONf_dihedral_angle_d5.0478348
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A4343X-RAY DIFFRACTION12.662TORSIONAL
12C4343X-RAY DIFFRACTION12.662TORSIONAL
13E4343X-RAY DIFFRACTION12.662TORSIONAL
21B3168X-RAY DIFFRACTION12.662TORSIONAL
22D3168X-RAY DIFFRACTION12.662TORSIONAL
23F3168X-RAY DIFFRACTION12.662TORSIONAL
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 (%)
2.6398-2.66980.37252320.36814348458096
2.6698-2.70120.3982470.353246474894100
2.7012-2.73420.39152350.347445354770100
2.7342-2.76880.34492470.324146574904100
2.7688-2.80520.32742400.309344614701100
2.8052-2.84360.34582460.302946544900100
2.8436-2.88420.35692410.298445204761100
2.8842-2.92730.342430.302646264869100
2.9273-2.9730.34542450.305546244869100
2.973-3.02180.3422360.289745424778100
3.0218-3.07390.34882460.28946544900100
3.0739-3.12970.33192330.293845154748100
3.1297-3.18990.34132400.29546354875100
3.1899-3.2550.32432370.282146334870100
3.255-3.32580.34542390.272445254764100
3.3258-3.40310.29682390.255146004839100
3.4031-3.48820.27372430.252846084851100
3.4882-3.58250.26352400.236245764816100
3.5825-3.68790.26292420.224146084850100
3.6879-3.80690.26572430.222845764819100
3.8069-3.94290.26632340.212245564790100
3.9429-4.10070.28012450.204246234868100
4.1007-4.28720.2452370.201545714808100
4.2872-4.5130.24652420.196245444786100
4.513-4.79550.20732460.192446354881100
4.7955-5.16540.25452480.204945414789100
5.1654-5.68450.24862460.218645704816100
5.6845-6.50530.29332410.235746244865100
6.5053-8.18930.2652400.216145624802100
8.1893-47.90120.2172380.184745894827100
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)
14.7949-1.83850.10835.811.79152.33610.02550.25930.6513-0.3767-0.0181-0.9247-0.48380.4389-0.05830.5218-0.17290.11360.54060.02690.6728155.6445288.9502396.7562
22.78710.5196-2.43182.88913.73737.3022-0.11680.1733-0.18190.2780.3204-0.39680.43590.724-0.07440.4687-0.0208-0.08330.5903-0.14080.5334159.2792266.8311404.3371
33.87730.50120.76564.2946-3.83767.0126-0.23750.38450.0477-0.17410.1962-0.04310.4330.29310.03730.4542-0.07690.01540.3904-0.02870.5386145.9149280.6835394.9567
41.9556-1.8482-0.57266.05524.78617.0886-0.17550.0581-0.28080.418-0.22450.82130.2566-0.24250.50550.3423-0.07330.07320.376-0.02540.4563140.4676278.3226406.676
57.26395.268-1.08877.9047-4.04247.2630.2234-0.25840.69310.22840.43041.6795-0.7165-0.8605-0.56560.43570.10140.00090.6464-0.11610.9494132.2435289.5046405.4008
63.7251-0.5651-1.5195.6228-1.32294.14660.12920.6313-0.1283-0.65030.02590.5738-0.0509-0.4543-0.11720.4496-0.0565-0.08650.4622-0.04840.5775136.6861279.7798388.1581
76.57962.30542.89685.3558-4.30077.7994-0.6448-0.02590.632-1.1289-0.0010.57540.14380.00910.17840.9222-0.09330.11870.60540.18730.7673146.2576289.9654379.9368
82.27381.6870.34566.8706-0.28625.4067-0.11950.01430.61190.5823-0.0576-0.2499-0.87960.36530.17850.3213-0.01850.13460.4443-0.06150.5488144.2389290.7599404.6914
97.1281-2.47520.29117.6918-1.78413.58470.151-1.0461-0.89590.92070.0939-0.69980.240.2726-0.23830.58990.01-0.11790.66650.07950.6223155.7415247.7454410.2136
102.23571.9043-3.07637.096-0.28225.22111.0388-1.46860.12141.2286-0.745-0.1398-0.25931.5422-0.44571.2204-0.0408-0.24381.14110.13460.8107160.5332241.974421.2407
116.8394-2.1289-5.6936.24694.5526.8725-0.04750.3187-0.7849-0.43470.1936-0.284-1.0870.1659-0.08710.5969-0.00770.11520.8348-0.25370.8626146.3224240.2998378.4062
123.68430.281.16966.28481.64284.0929-0.4280.7484-0.6471-0.5210.42870.04920.30850.7387-0.00440.4415-0.04550.15990.6168-0.09290.5858158.1702246.421377.3171
139.1772.508-3.26965.3821-3.5582.9871-0.0840.3937-0.2173-1.39710.05690.23840.20380.7403-0.26380.8235-0.15680.03680.7102-0.22970.7879150.4881250.7915370.6781
147.85353.63050.40516.0111-2.78762.8438-0.13660.2269-0.4364-0.85640.3975-0.3536-0.47111.3609-0.41670.6327-0.11280.09450.747-0.14480.5307153.1727248.2442379.3579
153.01891.3936-1.07766.5616-0.85853.1306-0.05460.2448-0.5778-0.0165-0.0966-0.50790.24550.06110.20150.3020.02510.02810.5555-0.14170.6567157.4046253.3526389.8911
164.95615.1166-5.16725.6397-5.41465.29470.10370.0683-0.32080.1767-0.3096-0.3708-0.09060.7340.16340.4629-0.04050.14470.736-0.04390.9631168.7131269.2289387.0079
174.11473.0317-1.24145.2165-2.75513.0737-0.5130.3625-0.1883-0.184-0.0271-1.23220.1515-0.04240.62630.43050.04720.02970.8057-0.11041.2714168.1967257.4428392.7604
186.7366-2.2907-4.77753.45794.42257.09570.01880.6241-1.3964-1.25310.4521-1.4268-0.531.2328-0.30290.6582-0.13640.18781.0701-0.28761.0404167.4064257.0203375.0154
192.5941-2.94360.79663.6820.65236.3348-0.26860.24830.19470.28-0.0103-1.09370.65630.96450.21330.67280.18110.00250.6396-0.10691.3866163.0733237.0069387.3568
201.82430.819-2.38537.41652.39975.19680.2156-0.04540.1272-0.1465-0.39871.00470.3994-0.32010.30140.4457-0.0211-0.0490.5594-0.10461.1651146.2364245.8184398.6456
211.35772.8778-0.37077.80551.10972.30560.5632-1.0439-2.73991.1793-0.5778-0.60230.0984-0.3448-0.36470.72550.2514-0.05010.6850.1181.1386128.0753215.0126398.793
228.25211.1659-0.80751.1139-0.18442.32520.27890.3696-1.5945-0.06140.0649-0.29790.42850.0425-0.41040.58530.1173-0.05390.3978-0.19190.9848126.6586218.4685387.2363
234.8038-1.58392.74074.7721-0.60543.18880.11840.4865-0.7950.19060.2031-0.32880.27570.3284-0.2470.54940.0802-0.00690.4025-0.17220.9521123.8374220.2307390.1257
245.0458-3.34291.56222.55630.39687.35930.1368-0.898-2.64320.38390.12321.94040.8267-0.5249-0.23490.61310.04270.05960.5710.13541.181101.3454221.7169397.645
254.0174-0.3685-0.78731.843-1.63992.4048-0.074-0.3406-0.05510.24920.1622-0.12110.16090.1312-0.07540.54730.07090.00630.3834-0.17020.5923124.9896234.5712396.0658
263.9345-4.0242-0.09116.8294-4.30717.3302-0.87422.0335-0.18210.3410.03390.8249-1.0329-1.19590.63410.79440.0814-0.0061.18040.15740.6831120.1325237.6933374.5467
273.9224-0.33341.02631.5860.16971.8324-0.06130.17310.044-0.04930.3093-0.4748-0.13570.3445-0.29680.545-0.0340.01910.4194-0.11910.6647129.7713235.1798384.7935
282.814-1.95362.9522.8457-0.29065.0811-0.1366-1.61150.00820.96580.4193-0.89080.2511-0.0131-0.14450.77150.1171-0.07640.7269-0.00130.7442123.3013226.3874406.4174
298.5451-2.7331-6.10131.40752.04848.5128-0.3868-1.13460.12610.60680.620.3308-0.5819-0.4571-0.12890.82350.14580.23290.78490.18930.704189.6009237.7655406.5462
306.5196-4.6884-5.76884.17094.44035.3261-0.1502-1.4511-1.18770.86471.24250.34162.1287-0.8482-0.45130.8273-0.04360.31311.16760.55261.154384.1661231.3511408.4033
314.57390.53270.49394.717-1.50534.33060.32060.52540.0665-0.6156-0.53781.4076-0.0301-0.66750.42970.51450.0997-0.14260.6045-0.07571.050982.169248.0585376.3698
328.2332-1.67438.28866.74480.34299.499-0.7751.61821.4714-1.3041-0.1065-1.90350.08410.83620.70780.54970.14210.14060.69870.03711.198196.5335237.1663375.3094
334.2874-3.82385.50469.7134-4.70797.04090.30450.91071.1477-2.4471-0.2650.55261.1418-0.6087-0.25610.9438-0.1005-0.11660.9539-0.03860.918491.0941236.6178362.9336
349.49384.08793.89622.76643.64987.56320.31980.62441.05430.0524-0.29590.4676-0.93980.5149-0.13380.95180.1189-0.13150.6552-0.00571.023294.6843247.7607371.4209
358.54110.02392.79763.28441.74253.5365-0.0649-0.4872-0.8489-0.4070.2757-0.8833-0.83540.3619-0.19320.6805-0.0961-0.10040.6838-0.10230.962790.8569242.7465377.0821
362.66212.7732-1.2263.0998-1.8692.1765-0.2686-0.32931.68030.7509-0.2031-1.1401-1.67481.33720.66650.5594-0.07440.06040.5472-0.04020.638198.362244.6183388.6395
373.2479-0.88791.10454.98880.15542.4934-0.19720.1815-1.24450.13470.00291.08510.2743-0.27090.20220.43-0.04820.06690.4583-0.01350.902392.2042229.0293385.4011
383.5458-3.53513.2178.14210.59766.25160.12561.4137-1.5626-1.1244-0.79082.0082-0.0842-1.15860.41950.7714-0.0005-0.34630.99-0.32561.257392.1573223.5993369.4083
398.1364-1.20474.87452.39081.18614.92720.765-0.3013-1.6714-0.7534-0.17432.3829-0.0303-0.4573-0.85770.8586-0.09430.23090.7037-0.01161.751177.8433229.7022382.778
400.23320.4007-0.25313.42711.09983.3328-0.10750.0235-1.02270.6330.36361.0072-0.5209-0.4749-0.32590.61940.05670.15820.50840.01130.945185.1105244.3578391.1288
417.55130.6918-0.91196.96090.90922.7390.07880.13750.75720.0625-0.00191.2373-0.1904-0.559-0.13890.38880.1163-0.06460.4789-0.02070.714376.9179276.105391.2911
424.81463.1472.53722.46130.93573.6516-0.4171-0.25240.7758-0.15880.05530.5297-0.5555-0.69380.36040.47560.0727-0.03990.623-0.05540.935979.5983281.7607391.8947
434.1778-1.37465.05215.8338-3.38747.41080.0367-0.72040.90560.8675-0.50181.2428-0.4691-1.17290.40960.5030.1206-0.03390.6524-0.13440.897492.2923296.2088403.9141
443.26740.7371.80886.57924.09648.70090.03480.0865-0.1655-0.677-0.3182-0.1245-0.6196-0.15890.22780.33170.06180.01380.38390.04580.574491.3849277.2899393.28
452.7770.5434-0.21472.75880.42373.9250.1574-0.4776-0.45090.4824-0.3003-0.73090.3979-0.01660.17020.4835-0.0206-0.08430.50570.1080.812992.1797266.5163399.9968
464.27794.88311.91855.9743.68546.9575-0.38260.3956-0.2901-1.58210.35380.2095-1.3589-0.0981-0.13211.15130.0278-0.03310.53480.12980.785696.7449275.4886371.957
475.49181.4782.3235.51350.71267.63480.48440.5281-0.1786-0.7237-0.095-1.05580.36120.4277-0.40010.57550.12080.12160.42520.0140.847496.1303269.924383.1823
484.49342.87531.96495.59712.19986.48110.554-0.72070.05460.6816-0.54150.23490.4448-0.4762-0.00910.4032-0.0305-0.00290.51320.10480.71282.1096268.3256400.2864
495.52034.54521.48816.31334.57525.65080.385-0.93590.33490.5653-0.30950.0623-0.41590.0567-0.00380.78960.0219-0.08860.7707-0.05240.8677111.2863301.1137416.2032
501.96030.06263.18071.291-2.00313.99531.0877-3.66190.6572-1.8737-2.7816-0.3879-0.15160.87361.28232.17390.1912-0.36651.2397-0.12751.0827113.6791306.0087432.0326
515.37150.77951.33013.0988-3.62094.7985-0.15670.17940.2896-0.27580.0913-0.3464-0.35570.30050.07430.68530.03170.11520.65150.18941.1767128.0703303.2116385.3418
528.57797.8935-1.2778.3107-1.59985.5418-0.47040.99230.8231-0.24960.4821-0.9753-0.88180.347-0.25260.78670.0388-0.03110.53460.11951.0797113.0339304.7364384.4257
537.3463.3-2.93153.3731-4.24645.5996-0.45090.93070.3248-1.2997-0.1097-0.4022-0.2365-0.25780.64091.0446-0.07130.03570.69170.12771.1339113.7633303.3678371.9696
548.54373.019-0.42247.6325-2.63088.28830.03090.43340.1457-0.46030.2190.1319-0.17520.4147-0.18470.6930.1620.02020.5450.05341.172118.3388301.1751384.9868
552.6053-0.4761-3.5271.41842.32067.0226-1.7980.1496-3.05720.72451.6919-1.94382.39171.81380.44040.772-0.0834-0.01140.48280.26631.1276114.275291.5733394.6588
565.00731.73710.96554.71411.11612.0412-0.0461-0.15931.2720.1596-0.27110.3317-0.32150.15640.34250.53340.0449-0.05850.3977-0.01940.9431110.467301.9022396.4603
573.49320.77812.42380.08320.23874.0195-0.46870.02730.9528-0.1325-0.00070.3508-0.8074-0.17020.53420.75520.1145-0.09280.44390.03281.036297.9414304.5967389.0645
586.8517-2.0292-5.19543.8917-3.05872.0209-1.1342-0.99620.07660.43941.1919-0.5954-0.65971.40970.61931.1462-0.2014-0.26950.40291.13891.8393104.5702312.4587375.8067
591.04890.90370.44352.54951.11945.957-0.5025-0.01281.2437-0.40220.0849-0.0496-1.0889-0.16780.34280.8929-0.0754-0.09860.50130.06661.484119.2013312.6529395.0525
604.2615.14250.92627.71-1.10395.01550.1462-0.2612-1.58980.04760.3515-1.07310.258-0.3274-0.42650.67860.1233-0.1310.54660.00761.3684116.5203290.6932404.8335
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1(chain A and resid 1:90)A1 - 90
2X-RAY DIFFRACTION2(chain A and resid 91:109)A91 - 109
3X-RAY DIFFRACTION3(chain A and resid 110:133)A110 - 133
4X-RAY DIFFRACTION4(chain A and resid 134:163)A134 - 163
5X-RAY DIFFRACTION5(chain A and resid 164:181)A164 - 181
6X-RAY DIFFRACTION6(chain A and resid 182:250)A182 - 250
7X-RAY DIFFRACTION7(chain A and resid 251:296)A251 - 296
8X-RAY DIFFRACTION8(chain A and resid 297:329)A297 - 329
9X-RAY DIFFRACTION9(chain A and resid 330:407)A330 - 407
10X-RAY DIFFRACTION10(chain A and resid 408:419)A408 - 419
11X-RAY DIFFRACTION11(chain B and resid 59:76)B59 - 76
12X-RAY DIFFRACTION12(chain B and resid 77:107)B77 - 107
13X-RAY DIFFRACTION13(chain B and resid 108:138)B108 - 138
14X-RAY DIFFRACTION14(chain B and resid 139:174)B139 - 174
15X-RAY DIFFRACTION15(chain B and resid 175:247)B175 - 247
16X-RAY DIFFRACTION16(chain B and resid 248:259)B248 - 259
17X-RAY DIFFRACTION17(chain B and resid 260:277)B260 - 277
18X-RAY DIFFRACTION18(chain B and resid 278:320)B278 - 320
19X-RAY DIFFRACTION19(chain B and resid 321:342)B321 - 342
20X-RAY DIFFRACTION20(chain B and resid 343:363)B343 - 363
21X-RAY DIFFRACTION21(chain C and resid 1:9)C1 - 9
22X-RAY DIFFRACTION22(chain C and resid 10:58)C10 - 58
23X-RAY DIFFRACTION23(chain C and resid 59:85)C59 - 85
24X-RAY DIFFRACTION24(chain C and resid 86:105)C86 - 105
25X-RAY DIFFRACTION25(chain C and resid 106:190)C106 - 190
26X-RAY DIFFRACTION26(chain C and resid 191:221)C191 - 221
27X-RAY DIFFRACTION27(chain C and resid 222:312)C222 - 312
28X-RAY DIFFRACTION28(chain C and resid 313:330)C313 - 330
29X-RAY DIFFRACTION29(chain C and resid 331:394)C331 - 394
30X-RAY DIFFRACTION30(chain C and resid 395:417)C395 - 417
31X-RAY DIFFRACTION31(chain D and resid 59:88)D59 - 88
32X-RAY DIFFRACTION32(chain D and resid 89:100)D89 - 100
33X-RAY DIFFRACTION33(chain D and resid 101:117)D101 - 117
34X-RAY DIFFRACTION34(chain D and resid 118:135)D118 - 135
35X-RAY DIFFRACTION35(chain D and resid 136:174)D136 - 174
36X-RAY DIFFRACTION36(chain D and resid 175:183)D175 - 183
37X-RAY DIFFRACTION37(chain D and resid 184:274)D184 - 274
38X-RAY DIFFRACTION38(chain D and resid 275:319)D275 - 319
39X-RAY DIFFRACTION39(chain D and resid 320:328)D320 - 328
40X-RAY DIFFRACTION40(chain D and resid 329:364)D329 - 364
41X-RAY DIFFRACTION41(chain E and resid 1:46)E1 - 46
42X-RAY DIFFRACTION42(chain E and resid 47:85)E47 - 85
43X-RAY DIFFRACTION43(chain E and resid 86:105)E86 - 105
44X-RAY DIFFRACTION44(chain E and resid 106:133)E106 - 133
45X-RAY DIFFRACTION45(chain E and resid 134:189)E134 - 189
46X-RAY DIFFRACTION46(chain E and resid 190:215)E190 - 215
47X-RAY DIFFRACTION47(chain E and resid 216:297)E216 - 297
48X-RAY DIFFRACTION48(chain E and resid 298:329)E298 - 329
49X-RAY DIFFRACTION49(chain E and resid 330:413)E330 - 413
50X-RAY DIFFRACTION50(chain E and resid 414:421)E414 - 421
51X-RAY DIFFRACTION51(chain F and resid 59:82)F59 - 82
52X-RAY DIFFRACTION52(chain F and resid 83:101)F83 - 101
53X-RAY DIFFRACTION53(chain F and resid 102:124)F102 - 124
54X-RAY DIFFRACTION54(chain F and resid 135:175)F135 - 175
55X-RAY DIFFRACTION55(chain F and resid 176:184)F176 - 184
56X-RAY DIFFRACTION56(chain F and resid 185:227)F185 - 227
57X-RAY DIFFRACTION57(chain F and resid 228:309)F228 - 309
58X-RAY DIFFRACTION58(chain F and resid 310:317)F310 - 317
59X-RAY DIFFRACTION59(chain F and resid 318:346)F318 - 346
60X-RAY DIFFRACTION60(chain F and resid 347:364)F347 - 364

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