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- PDB-4jiw: c1882 PAAR-repeat protein from Escherichia coli in complex with a... -

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Basic information

Entry
Database: PDB / ID: 4jiw
Titlec1882 PAAR-repeat protein from Escherichia coli in complex with a VgrG-like beta-helix that is based on a fragment of T4 gp5
Components
  • Putative uncharacterized protein
  • Tail-associated lysozyme
KeywordsHYDROLASE/PROTEIN BINDING / PAAR-repeat motif / membrane piercing / type VI secretion system / T6SS spike / cell puncturing device / beta-helix / T4 gp5 / VgrG tip / CFT073 / VgrG protein / HYDROLASE-PROTEIN BINDING complex
Function / homology
Function and homology information


symbiont entry into host cell via disruption of host cell wall peptidoglycan / virus tail, baseplate / viral tail assembly / symbiont entry into host cell via disruption of host cell envelope / virus tail / symbiont entry into host / peptidoglycan catabolic process / cell wall macromolecule catabolic process / lysozyme / lysozyme activity ...symbiont entry into host cell via disruption of host cell wall peptidoglycan / virus tail, baseplate / viral tail assembly / symbiont entry into host cell via disruption of host cell envelope / virus tail / symbiont entry into host / peptidoglycan catabolic process / cell wall macromolecule catabolic process / lysozyme / lysozyme activity / killing of cells of another organism / defense response to bacterium / symbiont entry into host cell / identical protein binding / metal ion binding
Similarity search - Function
Tumour Suppressor Smad4 - #60 / Protein Gp5, N-terminal OB-fold domain / Gp5, C-terminal / Pre-baseplate central spike protein Gp5 / Gp5 N-terminal OB domain / Gp5 C-terminal repeat (3 copies) / PAAR motif / PAAR motif / Tumour Suppressor Smad4 / T4-type lysozyme ...Tumour Suppressor Smad4 - #60 / Protein Gp5, N-terminal OB-fold domain / Gp5, C-terminal / Pre-baseplate central spike protein Gp5 / Gp5 N-terminal OB domain / Gp5 C-terminal repeat (3 copies) / PAAR motif / PAAR motif / Tumour Suppressor Smad4 / T4-type lysozyme / Glycoside hydrolase, family 24 / Lysozyme domain superfamily / Phage lysozyme / Lysozyme-like domain superfamily / Sandwich / Mainly Beta
Similarity search - Domain/homology
Uncharacterized protein / Pre-baseplate central spike protein Gp5 / Uncharacterized protein
Similarity search - Component
Biological speciesEnterobacteria phage T4 (virus)
Escherichia coli (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.402 Å
AuthorsButh, S.A. / Leiman, P.G. / Shneider, M.M.
CitationJournal: Nature / Year: 2013
Title: PAAR-repeat proteins sharpen and diversify the type VI secretion system spike.
Authors: Shneider, M.M. / Buth, S.A. / Ho, B.T. / Basler, M. / Mekalanos, J.J. / Leiman, P.G.
History
DepositionMar 7, 2013Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Aug 14, 2013Provider: repository / Type: Initial release
Revision 1.1Jun 11, 2014Group: Database references
Revision 1.2Nov 15, 2017Group: Refinement description / Category: software
Revision 1.3Mar 20, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Tail-associated lysozyme
B: Tail-associated lysozyme
C: Tail-associated lysozyme
D: Putative uncharacterized protein
E: Tail-associated lysozyme
F: Tail-associated lysozyme
G: Tail-associated lysozyme
H: Putative uncharacterized protein
I: Tail-associated lysozyme
J: Tail-associated lysozyme
K: Tail-associated lysozyme
L: Putative uncharacterized protein
M: Tail-associated lysozyme
N: Tail-associated lysozyme
O: Tail-associated lysozyme
P: Putative uncharacterized protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)157,56627
Polymers157,10116
Non-polymers46511
Water88349
1
A: Tail-associated lysozyme
B: Tail-associated lysozyme
C: Tail-associated lysozyme
D: Putative uncharacterized protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)39,4007
Polymers39,2754
Non-polymers1253
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area22570 Å2
ΔGint-78 kcal/mol
Surface area15480 Å2
MethodPISA
2
E: Tail-associated lysozyme
F: Tail-associated lysozyme
G: Tail-associated lysozyme
H: Putative uncharacterized protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)39,4007
Polymers39,2754
Non-polymers1253
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area22580 Å2
ΔGint-73 kcal/mol
Surface area15570 Å2
MethodPISA
3
I: Tail-associated lysozyme
J: Tail-associated lysozyme
K: Tail-associated lysozyme
L: Putative uncharacterized protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)39,3656
Polymers39,2754
Non-polymers902
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area22550 Å2
ΔGint-72 kcal/mol
Surface area15610 Å2
MethodPISA
4
M: Tail-associated lysozyme
N: Tail-associated lysozyme
O: Tail-associated lysozyme
P: Putative uncharacterized protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)39,4007
Polymers39,2754
Non-polymers1253
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area22630 Å2
ΔGint-72 kcal/mol
Surface area15860 Å2
MethodPISA
Unit cell
Length a, b, c (Å)184.157, 184.157, 238.893
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number178
Space group name H-MP6122
Components on special symmetry positions
IDModelComponents
11D-102-

CL

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Components

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Protein , 2 types, 16 molecules ABCEFGIJKMNODHLP

#1: Protein
Tail-associated lysozyme / Protein Gp5 / Gp5* / Gp5C


Mass: 9896.807 Da / Num. of mol.: 12 / Fragment: gp5G484, UNP RESIDUES 484-575 / Mutation: T566D, D568K, S570A, R571K, D573N, I574L, G575N
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Enterobacteria phage T4 (virus) / Gene: 5 / Plasmid: pEEva2, pET-23a derivative / Production host: Escherichia coli (E. coli) / Strain (production host): B834 / References: UniProt: P16009, lysozyme
#2: Protein
Putative uncharacterized protein / c1882


Mass: 9584.735 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Strain: CFT073 / Gene: c1882 / Plasmid: pEEva2, pET-23a derivative / Production host: Escherichia coli (E. coli) / Strain (production host): B834 / References: UniProt: Q8FHJ9, UniProt: A0A0H2V7J1*PLUS

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Non-polymers , 4 types, 60 molecules

#3: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#4: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn
#5: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Cl
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 49 / 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: 3.72 Å3/Da / Density % sol: 66.95 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5
Details: 100-150mM CaCl2, 13-15% PEG 3350, 100mM MES pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Sep 22, 2012 / Details: dynamically bendable mirror
RadiationMonochromator: Si(111) monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.4→48.6 Å / Num. all: 62214 / Num. obs: 62072 / % possible obs: 99.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 2 / Redundancy: 7 % / Biso Wilson estimate: 79.75 Å2 / Rmerge(I) obs: 0.15 / Net I/σ(I): 12.56
Reflection shellResolution: 3.4→3.61 Å / Redundancy: 6.7 % / Rmerge(I) obs: 1.011 / Mean I/σ(I) obs: 2.09 / % possible all: 98.9

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Processing

Software
NameVersionClassification
PHASERphasing
PHENIX(phenix.refine: 1.8.1_1168)refinement
XDSdata reduction
XDSdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.402→48.568 Å / SU ML: 0.51 / σ(F): 1.99 / Phase error: 25.48 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.243 3148 5.07 %
Rwork0.184 --
obs0.1869 62066 99.79 %
all-62214 -
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.402→48.568 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10848 0 11 49 10908
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00211025
X-RAY DIFFRACTIONf_angle_d1.03915100
X-RAY DIFFRACTIONf_dihedral_angle_d9.4343876
X-RAY DIFFRACTIONf_chiral_restr0.0311772
X-RAY DIFFRACTIONf_plane_restr0.0021944
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.4025-3.45560.411770.33832537X-RAY DIFFRACTION96
3.4556-3.51230.38011540.30142675X-RAY DIFFRACTION100
3.5123-3.57280.33171180.2822674X-RAY DIFFRACTION100
3.5728-3.63770.3411580.25732704X-RAY DIFFRACTION100
3.6377-3.70770.31811460.25212662X-RAY DIFFRACTION100
3.7077-3.78330.28371470.23972670X-RAY DIFFRACTION100
3.7833-3.86560.28241210.21632712X-RAY DIFFRACTION100
3.8656-3.95550.28531430.22622684X-RAY DIFFRACTION100
3.9555-4.05430.30111330.2382687X-RAY DIFFRACTION100
4.0543-4.16390.26561600.2182672X-RAY DIFFRACTION100
4.1639-4.28630.23121450.17732694X-RAY DIFFRACTION100
4.2863-4.42460.1891550.15472672X-RAY DIFFRACTION100
4.4246-4.58260.19931450.12512689X-RAY DIFFRACTION100
4.5826-4.7660.15311740.11062633X-RAY DIFFRACTION100
4.766-4.98270.18991170.1312738X-RAY DIFFRACTION100
4.9827-5.24510.25361270.16442680X-RAY DIFFRACTION100
5.2451-5.57330.2221430.14932686X-RAY DIFFRACTION100
5.5733-6.00290.20431470.15072658X-RAY DIFFRACTION100
6.0029-6.60560.23291170.1622729X-RAY DIFFRACTION100
6.6056-7.55840.23831350.18092683X-RAY DIFFRACTION100
7.5584-9.5110.2221540.20242677X-RAY DIFFRACTION100
9.511-48.57340.2371320.17282702X-RAY DIFFRACTION100
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)
10.0153-0.0147-0.04850.02740.03110.0676-1.64640.18711.6741-0.3051-1.4325-1.33890.00840.0564-0.00393.0846-0.11010.58841.943-0.06572.559637.92318.08738.5133
20.7691-0.0067-0.64870.33620.03110.5531-1.38750.7944-1.39610.3745-0.0560.91180.3945-0.5712-0.07831.9295-0.15780.79981.1341-0.13592.122741.59810.7125-7.1946
30.2207-0.2383-0.64820.63470.40782.05750.05560.34950.860.4210.60850.69870.2547-0.06150.35161.9789-0.61821.05851.4758-0.56542.522234.016824.5877-10.1223
40.15140.1832-0.25810.2082-0.29340.4069-0.789-0.7561-0.2380.6682-0.1606-0.45750.32070.3638-0.0232.0919-0.48510.77351.3092-0.34871.766143.435328.54730.9425
50.5321.66810.71355.1392.27941.0287-0.00420.8698-1.64630.5520.5359-0.76470.8997-0.67920.33341.5589-0.06330.98821.5611-0.05512.463552.463319.6772-10.9215
61.2701-0.2810.45440.36580.07760.2549-0.9352-0.0068-0.86961.0292-0.55680.74031.6212-0.2917-0.79141.8185-0.33880.77031.2424-0.45381.946547.275734.3679-12.6505
70.0629-0.01430.01420.07550.03390.0354-0.6464-0.2793-1.11490.1085-0.01460.3945-0.2170.2214-0.00382.3616-0.26790.62261.1183-0.06191.783563.195129.0643-12.7122
80.0840.2387-0.05560.5162-0.15380.04650.14690.1689-1.26221.2252-0.73960.26940.108-0.1462-0.00081.6205-0.2910.36411.4778-0.39181.516957.157940.8371-19.9936
90.71250.581-0.16630.3482-0.21170.0925-0.23181.4382-1.70410.86160.26231.3194-0.26180.2234-0.0051.5753-0.23020.12681.172-0.15011.165366.740543.8527-26.4805
100.20430.1595-0.03710.6140.40430.41850.4859-0.9627-0.61270.1497-0.7191.1864-0.35310.4484-0.32452.0076-0.57870.88681.6703-0.73663.090127.243517.1597-7.0915
112.27780.88021.67350.34950.611.25130.033-0.33150.90060.2392-0.04820.6808-0.3214-0.1661-0.78592.9410.00651.67291.2260.11432.560738.616420.78854.9065
121.33910.97890.28870.77770.29280.2090.0062-0.1417-0.706-0.16810.4497-0.85990.38070.42542.52091.9492-0.92361.91540.7616-0.07832.836647.000412.571-7.6949
130.1855-0.0902-0.14050.0280.0220.5182-0.14140.62170.6307-0.36950.88261.0296-1.2852-0.51360.11271.8724-0.46190.37021.1423-0.41841.77936.682223.9168-15.6261
143.1643-0.8666-0.83831.43090.4330.891-0.8195-0.70120.79420.56320.8317-0.4756-0.45350.0121-0.18962.1425-0.51020.60421.1276-0.37351.734346.24331.0178-1.8166
150.43710.79010.34361.65110.78460.39670.57550.4387-0.21391.1221-0.2681-0.90690.3050.2440.07242.0793-0.28991.03371.2823-0.27322.059857.003222.4457-11.395
160.7427-0.3380.45110.6105-0.0240.2363-0.07930.1186-0.58561.3309-0.10490.86530.4681-0.02320.00891.4737-0.43780.63341.4318-0.3791.794951.050635.8794-15.1159
170.48180.0964-0.46560.3739-0.26580.4479-0.64060.6062-0.79171.28360.07911.06860.0316-0.2563-0.00021.5519-0.31820.35341.4745-0.3961.479960.345540.1681-20.9692
180.0860.01330.03580.36970.1320.18480.6848-0.4139-0.5364-0.1225-0.0007-0.42910.1368-0.7175-0.00031.2598-0.31160.12691.3979-0.11671.143870.194245.321-21.2661
190.1094-0.1896-0.16640.13030.21690.3483-0.7244-0.3524-0.88430.17430.21520.50011.4821-1.31430.00081.7356-0.49380.58991.5188-0.27022.57236.48929.8644-8.4254
200.61920.6291-0.20031.1168-0.26420.06990.713-0.1649-1.0221-0.42450.47950.714-0.153-0.1197-0.07682.1979-0.26661.04431.1793-0.3142.488633.824325.05320.0754
210.3685-0.5966-0.47282.06662.83144.5495-0.0025-0.7099-0.89220.205-0.9987-0.0045-0.10970.2342-0.24142.5161-0.73150.84921.2215-0.24611.618546.668421.48241.6593
220.146-0.0378-0.14960.02360.0440.1360.02650.327-0.1760.88650.8371-0.39420.5684-0.00791.00232.7004-0.08541.30870.9257-1.07922.345550.193415.7493-10.1578
230.483-0.08360.56230.79381.35863.3583-1.16091.60950.2027-0.2074-0.09081.6722-0.9915-0.33710.05251.9518-0.39710.75051.4479-0.37562.245240.406628.406-15.1512
240.4749-0.3608-0.42970.37140.54290.7779-0.87880.3615-1.25060.9362-0.2061.00751.3156-0.93350.00092.2283-0.34440.73471.3198-0.31642.01653.80830.1706-12.6177
250.153-0.10690.03140.09150.02520.00111.01211.3824-0.31960.9882-1.0307-0.03720.84150.73-0.00141.2633-0.19090.36681.1452-0.39481.494652.909442.8664-14.763
261.1809-0.07720.01670.0873-0.05640.2734-0.50220.83460.0960.3059-1.8423-0.04240.8577-0.2639-0.02621.3135-0.25880.3561.0991-0.19181.463864.525838.203-22.2438
270.25330.2008-0.17570.2774-0.19910.2440.88950.5787-0.98160.143-0.7068-0.0699-0.1172-1.0681-0.00031.1248-0.18030.13471.1709-0.27371.019163.511750.9768-21.9395
280.10330.0740.0870.2322-0.18270.28730.07571.31180.1346-0.70920.04620.70720.3744-1.3470.00051.3649-0.11580.01171.44840.04360.882377.269358.3213-37.06
293.41961.75662.33760.8721.15481.54960.79632.4566-0.2038-0.4743-0.2646-0.761-0.27230.24230.09651.75580.02270.12181.70410.06210.894784.961863.1846-38.54
300.76280.3640.10590.22240.08530.024-0.40351.1043-0.64690.56980.8456-1.2063-0.79450.06810.0011.2919-0.35790.12371.3179-0.21490.846277.325950.5331-26.9269
311.119-0.7435-1.07011.17071.21361.4334-1.1140.0168-0.02981.9351-1.5442-1.31860.63730.2198-0.13461.115-0.2401-0.17181.24710.15280.952284.421361.1641-29.9374
321.59390.98660.91980.61430.57710.52930.8644-0.0721-0.5011-0.5175-0.1926-0.66240.4792-0.30320.19431.7803-0.03110.52381.58590.37521.205691.842570.923-42.0676
335.4707-0.6966-1.82413.79182.20654.42050.7104-0.09730.32371.3213-0.2184-0.4114-0.11620.39914.66380.9487-0.01410.00891.59220.40411.013984.833768.203-32.6857
340.1598-0.0062-0.1460.08740.12490.2403-0.02022.02251.06211.41-0.7449-0.54141.2383-1.3625-0.02361.1567-0.2519-0.01721.18220.08340.918470.455258.125-22.6526
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1230.099-0.0987-0.01130.08170.0096-0.00710.06060.6703-0.0514-0.4309-0.3076-0.3543-0.7209-1.5540.00061.26970.27190.27871.57220.0711.376776.603417.7994-75.3592
1241.64391.16810.65360.77480.42890.25340.88581.6097-0.8022-1.30280.50120.0204-0.7358-0.12060.41012.93991.5248-0.13162.3693-0.21252.153238.091851.4418-66.1158
1250.7525-0.35570.88440.1811-0.41661.03270.2705-0.1291-0.2872-0.48860.78550.6169-0.0984-0.36790.03821.70810.54970.64713.17570.53412.029433.044335.4705-62.825
1260.05380.01660.08610.20490.00220.1659-0.5948-0.2044-0.22410.0865-0.1402-0.0064-0.325-1.27290.00071.8530.6058-0.10082.56370.54093.460539.658636.8767-77.0812
1270.0122-0.0124-0.00410.0519-0.01150.08150.0222-0.83970.38160.10360.1545-0.1910.07380.180702.89181.4970.77643.30640.33962.115350.644544.0155-69.2109
1280.80010.5285-0.1130.3593-0.01130.1571.7933-0.3384-0.39860.1613-0.0871-0.0807-0.90341.0533-0.02022.65270.73170.29151.94220.08712.302748.396733.6475-59.2306
1292.58851.47250.1630.95520.58231.6295-0.4970.56520.18461.5181.00322.4968-0.5477-0.8493-0.10271.98530.72820.53221.88240.2812.9255.461930.5266-70.9607
1300.1140.1409-0.02840.1139-0.08370.14760.3203-1.3691-0.02510.8840.10771.9845-1.5521-1.7426-0.00171.40030.40210.39262.27370.2242.04160.021619.707-69.1359
1310.1447-0.1319-0.06380.13230.08290.0390.7066-0.37761.20410.39850.60590.7019-0.9940.47270.00332.02330.39270.331.78370.15171.94373.909626.0228-67.7436
1320.3745-0.30330.31270.2186-0.24180.24771.3081-0.3333-0.3164-0.94530.61560.1896-2.2226-0.27670.0271.87150.25260.72971.2394-0.00952.071971.663412.0712-67.2388
1330.20590.18150.22380.18060.13750.12090.1324-0.73760.2435-0.00550.09420.81610.0630.36770.00151.57490.30650.04891.14550.10381.346192.99587.7024-66.9732
1341.3187-0.3661.4740.2256-0.21131.7576-1.0188-0.24011.2483-0.8341-0.2376-0.2553-0.75270.938-0.0841.0721-0.25650.06641.28380.07651.053899.56822.5432-70.6384
1350.0384-0.05290.04350.0963-0.1380.14060.24380.5479-0.1343-2.03340.15141.1589-0.29350.8883-0.00111.33770.13310.15271.27160.06211.198684.150113.3536-75.2851
1360.1307-0.21440.00550.31620.00870.049-1.12080.7703-1.2524-0.3871-0.38422.56610.2681-0.4635-0.00741.37520.09020.0481.7549-0.01971.42787.82121.5259-74.8597
1370.1323-0.1153-0.05190.10330.01260.0634-0.45170.6146-1.4583-0.23840.5162-1.93990.08470.57230.00111.50830.20170.17871.34820.23951.6231105.6157-2.9738-72.6236
1380.52431.92690.30527.0161.12766.89561.02060.3678-0.0018-0.12310.2574-0.22091.09010.82643.09371.41690.1704-0.06641.25540.07391.361395.7786-3.9223-72.5267
1390.14080.12920.03830.15730.08850.04410.0763-0.70980.40750.2128-0.03222.15140.5564-0.86670.00021.65520.31850.46721.6570.09991.392477.65354.6739-70.1332
1400.66370.59740.26750.46840.26040.09630.05530.0514-0.39970.31330.2073-0.2941-0.4875-0.2261-0.00011.46180.08190.12331.22360.08661.151787.82335.861-64.6601
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1(CHAIN A AND RESID 483:488)A483 - 488
2X-RAY DIFFRACTION2(CHAIN A AND RESID 489:499)A489 - 499
3X-RAY DIFFRACTION3(CHAIN A AND RESID 500:505)A500 - 505
4X-RAY DIFFRACTION4(CHAIN A AND RESID 506:512)A506 - 512
5X-RAY DIFFRACTION5(CHAIN A AND RESID 513:522)A513 - 522
6X-RAY DIFFRACTION6(CHAIN A AND RESID 523:536)A523 - 536
7X-RAY DIFFRACTION7(CHAIN A AND RESID 537:543)A537 - 543
8X-RAY DIFFRACTION8(CHAIN A AND RESID 544:561)A544 - 561
9X-RAY DIFFRACTION9(CHAIN A AND RESID 562:575)A562 - 575
10X-RAY DIFFRACTION10(CHAIN B AND RESID 483:488)B483 - 488
11X-RAY DIFFRACTION11(CHAIN B AND RESID 489:497)B489 - 497
12X-RAY DIFFRACTION12(CHAIN B AND RESID 498:505)B498 - 505
13X-RAY DIFFRACTION13(CHAIN B AND RESID 506:512)B506 - 512
14X-RAY DIFFRACTION14(CHAIN B AND RESID 513:521)B513 - 521
15X-RAY DIFFRACTION15(CHAIN B AND RESID 522:528)B522 - 528
16X-RAY DIFFRACTION16(CHAIN B AND RESID 529:545)B529 - 545
17X-RAY DIFFRACTION17(CHAIN B AND RESID 546:564)B546 - 564
18X-RAY DIFFRACTION18(CHAIN B AND RESID 565:575)B565 - 575
19X-RAY DIFFRACTION19(CHAIN C AND RESID 483:494)C483 - 494
20X-RAY DIFFRACTION20(CHAIN C AND RESID 495:500)C495 - 500
21X-RAY DIFFRACTION21(CHAIN C AND RESID 501:506)C501 - 506
22X-RAY DIFFRACTION22(CHAIN C AND RESID 507:513)C507 - 513
23X-RAY DIFFRACTION23(CHAIN C AND RESID 514:522)C514 - 522
24X-RAY DIFFRACTION24(CHAIN C AND RESID 523:541)C523 - 541
25X-RAY DIFFRACTION25(CHAIN C AND RESID 542:551)C542 - 551
26X-RAY DIFFRACTION26(CHAIN C AND RESID 552:564)C552 - 564
27X-RAY DIFFRACTION27(CHAIN C AND RESID 565:575)C565 - 575
28X-RAY DIFFRACTION28(CHAIN D AND RESID 2:14)D2 - 14
29X-RAY DIFFRACTION29(CHAIN D AND RESID 15:24)D15 - 24
30X-RAY DIFFRACTION30(CHAIN D AND RESID 25:39)D25 - 39
31X-RAY DIFFRACTION31(CHAIN D AND RESID 40:45)D40 - 45
32X-RAY DIFFRACTION32(CHAIN D AND RESID 46:50)D46 - 50
33X-RAY DIFFRACTION33(CHAIN D AND RESID 51:60)D51 - 60
34X-RAY DIFFRACTION34(CHAIN D AND RESID 61:73)D61 - 73
35X-RAY DIFFRACTION35(CHAIN D AND RESID 74:94)D74 - 94
36X-RAY DIFFRACTION36(CHAIN E AND RESID 483:489)E483 - 489
37X-RAY DIFFRACTION37(CHAIN E AND RESID 490:497)E490 - 497
38X-RAY DIFFRACTION38(CHAIN E AND RESID 498:505)E498 - 505
39X-RAY DIFFRACTION39(CHAIN E AND RESID 506:512)E506 - 512
40X-RAY DIFFRACTION40(CHAIN E AND RESID 513:522)E513 - 522
41X-RAY DIFFRACTION41(CHAIN E AND RESID 523:545)E523 - 545
42X-RAY DIFFRACTION42(CHAIN E AND RESID 546:555)E546 - 555
43X-RAY DIFFRACTION43(CHAIN E AND RESID 556:564)E556 - 564
44X-RAY DIFFRACTION44(CHAIN E AND RESID 565:575)E565 - 575
45X-RAY DIFFRACTION45(CHAIN F AND RESID 483:489)F483 - 489
46X-RAY DIFFRACTION46(CHAIN F AND RESID 490:497)F490 - 497
47X-RAY DIFFRACTION47(CHAIN F AND RESID 498:505)F498 - 505
48X-RAY DIFFRACTION48(CHAIN F AND RESID 506:512)F506 - 512
49X-RAY DIFFRACTION49(CHAIN F AND RESID 513:522)F513 - 522
50X-RAY DIFFRACTION50(CHAIN F AND RESID 523:530)F523 - 530
51X-RAY DIFFRACTION51(CHAIN F AND RESID 531:544)F531 - 544
52X-RAY DIFFRACTION52(CHAIN F AND RESID 545:564)F545 - 564
53X-RAY DIFFRACTION53(CHAIN F AND RESID 565:575)F565 - 575
54X-RAY DIFFRACTION54(CHAIN G AND RESID 483:489)G483 - 489
55X-RAY DIFFRACTION55(CHAIN G AND RESID 490:499)G490 - 499
56X-RAY DIFFRACTION56(CHAIN G AND RESID 500:505)G500 - 505
57X-RAY DIFFRACTION57(CHAIN G AND RESID 506:512)G506 - 512
58X-RAY DIFFRACTION58(CHAIN G AND RESID 513:520)G513 - 520
59X-RAY DIFFRACTION59(CHAIN G AND RESID 521:529)G521 - 529
60X-RAY DIFFRACTION60(CHAIN G AND RESID 530:545)G530 - 545
61X-RAY DIFFRACTION61(CHAIN G AND RESID 546:564)G546 - 564
62X-RAY DIFFRACTION62(CHAIN G AND RESID 565:575)G565 - 575
63X-RAY DIFFRACTION63(CHAIN H AND RESID 2:8)H2 - 8
64X-RAY DIFFRACTION64(CHAIN H AND RESID 9:21)H9 - 21
65X-RAY DIFFRACTION65(CHAIN H AND RESID 22:37)H22 - 37
66X-RAY DIFFRACTION66(CHAIN H AND RESID 38:44)H38 - 44
67X-RAY DIFFRACTION67(CHAIN H AND RESID 45:50)H45 - 50
68X-RAY DIFFRACTION68(CHAIN H AND RESID 51:57)H51 - 57
69X-RAY DIFFRACTION69(CHAIN H AND RESID 58:64)H58 - 64
70X-RAY DIFFRACTION70(CHAIN H AND RESID 65:94)H65 - 94
71X-RAY DIFFRACTION71(CHAIN I AND RESID 483:490)I483 - 490
72X-RAY DIFFRACTION72(CHAIN I AND RESID 491:497)I491 - 497
73X-RAY DIFFRACTION73(CHAIN I AND RESID 498:505)I498 - 505
74X-RAY DIFFRACTION74(CHAIN I AND RESID 506:512)I506 - 512
75X-RAY DIFFRACTION75(CHAIN I AND RESID 513:522)I513 - 522
76X-RAY DIFFRACTION76(CHAIN I AND RESID 523:536)I523 - 536
77X-RAY DIFFRACTION77(CHAIN I AND RESID 537:543)I537 - 543
78X-RAY DIFFRACTION78(CHAIN I AND RESID 544:564)I544 - 564
79X-RAY DIFFRACTION79(CHAIN I AND RESID 565:575)I565 - 575
80X-RAY DIFFRACTION80(CHAIN J AND RESID 483:493)J483 - 493
81X-RAY DIFFRACTION81(CHAIN J AND RESID 494:499)J494 - 499
82X-RAY DIFFRACTION82(CHAIN J AND RESID 500:505)J500 - 505
83X-RAY DIFFRACTION83(CHAIN J AND RESID 506:512)J506 - 512
84X-RAY DIFFRACTION84(CHAIN J AND RESID 513:522)J513 - 522
85X-RAY DIFFRACTION85(CHAIN J AND RESID 523:536)J523 - 536
86X-RAY DIFFRACTION86(CHAIN J AND RESID 537:543)J537 - 543
87X-RAY DIFFRACTION87(CHAIN J AND RESID 544:559)J544 - 559
88X-RAY DIFFRACTION88(CHAIN J AND RESID 560:575)J560 - 575
89X-RAY DIFFRACTION89(CHAIN K AND RESID 483:490)K483 - 490
90X-RAY DIFFRACTION90(CHAIN K AND RESID 491:499)K491 - 499
91X-RAY DIFFRACTION91(CHAIN K AND RESID 500:508)K500 - 508
92X-RAY DIFFRACTION92(CHAIN K AND RESID 509:514)K509 - 514
93X-RAY DIFFRACTION93(CHAIN K AND RESID 515:522)K515 - 522
94X-RAY DIFFRACTION94(CHAIN K AND RESID 523:536)K523 - 536
95X-RAY DIFFRACTION95(CHAIN K AND RESID 537:549)K537 - 549
96X-RAY DIFFRACTION96(CHAIN K AND RESID 550:564)K550 - 564
97X-RAY DIFFRACTION97(CHAIN K AND RESID 565:575)K565 - 575
98X-RAY DIFFRACTION98(CHAIN L AND RESID 2:14)L2 - 14
99X-RAY DIFFRACTION99(CHAIN L AND RESID 15:21)L15 - 21
100X-RAY DIFFRACTION100(CHAIN L AND RESID 22:38)L22 - 38
101X-RAY DIFFRACTION101(CHAIN L AND RESID 39:44)L39 - 44
102X-RAY DIFFRACTION102(CHAIN L AND RESID 45:50)L45 - 50
103X-RAY DIFFRACTION103(CHAIN L AND RESID 51:59)L51 - 59
104X-RAY DIFFRACTION104(CHAIN L AND RESID 60:65)L60 - 65
105X-RAY DIFFRACTION105(CHAIN L AND RESID 66:94)L66 - 94
106X-RAY DIFFRACTION106(CHAIN M AND RESID 483:489)M483 - 489
107X-RAY DIFFRACTION107(CHAIN M AND RESID 490:499)M490 - 499
108X-RAY DIFFRACTION108(CHAIN M AND RESID 500:506)M500 - 506
109X-RAY DIFFRACTION109(CHAIN M AND RESID 507:514)M507 - 514
110X-RAY DIFFRACTION110(CHAIN M AND RESID 515:522)M515 - 522
111X-RAY DIFFRACTION111(CHAIN M AND RESID 523:536)M523 - 536
112X-RAY DIFFRACTION112(CHAIN M AND RESID 537:548)M537 - 548
113X-RAY DIFFRACTION113(CHAIN M AND RESID 549:565)M549 - 565
114X-RAY DIFFRACTION114(CHAIN M AND RESID 566:575)M566 - 575
115X-RAY DIFFRACTION115(CHAIN N AND RESID 483:491)N483 - 491
116X-RAY DIFFRACTION116(CHAIN N AND RESID 492:499)N492 - 499
117X-RAY DIFFRACTION117(CHAIN N AND RESID 500:506)N500 - 506
118X-RAY DIFFRACTION118(CHAIN N AND RESID 507:512)N507 - 512
119X-RAY DIFFRACTION119(CHAIN N AND RESID 513:522)N513 - 522
120X-RAY DIFFRACTION120(CHAIN N AND RESID 523:544)N523 - 544
121X-RAY DIFFRACTION121(CHAIN N AND RESID 545:555)N545 - 555
122X-RAY DIFFRACTION122(CHAIN N AND RESID 556:566)N556 - 566
123X-RAY DIFFRACTION123(CHAIN N AND RESID 567:575)N567 - 575
124X-RAY DIFFRACTION124(CHAIN O AND RESID 483:493)O483 - 493
125X-RAY DIFFRACTION125(CHAIN O AND RESID 494:499)O494 - 499
126X-RAY DIFFRACTION126(CHAIN O AND RESID 500:508)O500 - 508
127X-RAY DIFFRACTION127(CHAIN O AND RESID 509:514)O509 - 514
128X-RAY DIFFRACTION128(CHAIN O AND RESID 515:522)O515 - 522
129X-RAY DIFFRACTION129(CHAIN O AND RESID 523:541)O523 - 541
130X-RAY DIFFRACTION130(CHAIN O AND RESID 542:555)O542 - 555
131X-RAY DIFFRACTION131(CHAIN O AND RESID 556:564)O556 - 564
132X-RAY DIFFRACTION132(CHAIN O AND RESID 565:575)O565 - 575
133X-RAY DIFFRACTION133(CHAIN P AND RESID 2:14)P2 - 14
134X-RAY DIFFRACTION134(CHAIN P AND RESID 15:24)P15 - 24
135X-RAY DIFFRACTION135(CHAIN P AND RESID 25:38)P25 - 38
136X-RAY DIFFRACTION136(CHAIN P AND RESID 39:43)P39 - 43
137X-RAY DIFFRACTION137(CHAIN P AND RESID 44:50)P44 - 50
138X-RAY DIFFRACTION138(CHAIN P AND RESID 51:60)P51 - 60
139X-RAY DIFFRACTION139(CHAIN P AND RESID 61:73)P61 - 73
140X-RAY DIFFRACTION140(CHAIN P AND RESID 74:94)P74 - 94

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