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- PDB-6cp9: Contact-dependent growth inhibition toxin - immunity protein comp... -

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Open data


ID or keywords:

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Basic information

Entry
Database: PDB / ID: 6cp9
TitleContact-dependent growth inhibition toxin - immunity protein complex from Klebsiella pneumoniae 342
Components
  • CdiA
  • CdiI
KeywordsTOXIN/ANTITOXIN / toxin / RNase / Structural Genomics / PSI-Biology / Midwest Center for Structural Genomics / MCSG / Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes / UC4CDI / TOXIN-ANTITOXIN complex / Protein Structure Initiative
Function / homology
Function and homology information


catalytic activity / toxin activity / cytoplasm
Similarity search - Function
VENN motif-containing domain / Pre-toxin domain with VENN motif / Hemagglutinin repeat / Hemagglutinin repeat / Filamentous haemagglutinin FhaB/tRNA nuclease CdiA-like, TPS domain / TPS secretion domain / haemagglutination activity domain / Pectin lyase fold / Pectin lyase fold/virulence factor
Similarity search - Domain/homology
Filamentous haemagglutinin family protein
Similarity search - Component
Biological speciesKlebsiella pneumoniae (bacteria)
Klebsiella pneumoniae 342 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.55 Å
AuthorsMichalska, K. / Stols, L. / Eschenfeldt, W. / Hayes, C.S. / Goulding, C.W. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG) / Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI)
Funding support United States, 3items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM094585 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM102318 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM115586 United States
Citation
Journal: Structure / Year: 2019
Title: Convergent Evolution of the Barnase/EndoU/Colicin/RelE (BECR) Fold in Antibacterial tRNase Toxins.
Authors: Gucinski, G.C. / Michalska, K. / Garza-Sanchez, F. / Eschenfeldt, W.H. / Stols, L. / Nguyen, J.Y. / Goulding, C.W. / Joachimiak, A. / Hayes, C.S.
#1: Journal: Proteins / Year: 2019
Title: Target highlights in CASP13: Experimental target structures through the eyes of their authors.
Authors: Lepore, R. / Kryshtafovych, A. / Alahuhta, M. / Veraszto, H.A. / Bomble, Y.J. / Bufton, J.C. / Bullock, A.N. / Caba, C. / Cao, H. / Davies, O.R. / Desfosses, A. / Dunne, M. / Fidelis, K. / ...Authors: Lepore, R. / Kryshtafovych, A. / Alahuhta, M. / Veraszto, H.A. / Bomble, Y.J. / Bufton, J.C. / Bullock, A.N. / Caba, C. / Cao, H. / Davies, O.R. / Desfosses, A. / Dunne, M. / Fidelis, K. / Goulding, C.W. / Gurusaran, M. / Gutsche, I. / Harding, C.J. / Hartmann, M.D. / Hayes, C.S. / Joachimiak, A. / Leiman, P.G. / Loppnau, P. / Lovering, A.L. / Lunin, V.V. / Michalska, K. / Mir-Sanchis, I. / Mitra, A. / Moult, J. / Phillips Jr., G.N. / Pinkas, D.M. / Rice, P.A. / Tong, Y. / Topf, M. / Walton, J.D. / Schwede, T.
History
DepositionMar 13, 2018Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 13, 2019Provider: repository / Type: Initial release
Revision 1.1Apr 10, 2019Group: Author supporting evidence / Data collection / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.2Oct 23, 2019Group: Data collection / Database references / Category: citation / citation_author
Revision 1.3Nov 20, 2019Group: Database references / Category: citation / Item: _citation.journal_volume / _citation.page_first
Revision 1.4Jan 1, 2020Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5Nov 13, 2024Group: Data collection / Database references / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: CdiA
B: CdiI
C: CdiA
D: CdiI
E: CdiA
F: CdiI
G: CdiA
H: CdiI


Theoretical massNumber of molelcules
Total (without water)110,0588
Polymers110,0588
Non-polymers00
Water41423
1
A: CdiA
B: CdiI


Theoretical massNumber of molelcules
Total (without water)27,5152
Polymers27,5152
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1820 Å2
ΔGint-4 kcal/mol
Surface area12380 Å2
MethodPISA
2
C: CdiA
D: CdiI


Theoretical massNumber of molelcules
Total (without water)27,5152
Polymers27,5152
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1830 Å2
ΔGint-3 kcal/mol
Surface area12330 Å2
MethodPISA
3
E: CdiA
F: CdiI


Theoretical massNumber of molelcules
Total (without water)27,5152
Polymers27,5152
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1840 Å2
ΔGint-3 kcal/mol
Surface area12660 Å2
MethodPISA
4
G: CdiA
H: CdiI


Theoretical massNumber of molelcules
Total (without water)27,5152
Polymers27,5152
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1870 Å2
ΔGint-4 kcal/mol
Surface area11830 Å2
MethodPISA
Unit cell
Length a, b, c (Å)102.643, 145.446, 84.281
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number18
Space group name H-MP21212
Components on special symmetry positions
IDModelComponents
11A-307-

HOH

21B-204-

HOH

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Components

#1: Protein
CdiA / Filamentous haemagglutinin family protein


Mass: 14030.411 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Klebsiella pneumoniae (strain 342) (bacteria)
Strain: 342 / Gene: KPK_4110 / Plasmid: pMCSG63 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: B5Y0C2
#2: Protein
CdiI


Mass: 13484.120 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Klebsiella pneumoniae 342 (bacteria) / Strain: 342 / Plasmid: pMCSG63 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3)
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 23 / Source method: isolated from a natural source / Formula: H2O
Has protein modificationY

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Experimental details

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Experiment

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

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Sample preparation

CrystalDensity Matthews: 2.87 Å3/Da / Density % sol: 57.18 %
Crystal growTemperature: 277 K / Method: vapor diffusion, sitting drop / pH: 5 / Details: 0.1 M Na citrate pH 5.0, 8% PEG8000

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9792 Å
DetectorType: DECTRIS PILATUS3 X 6M / Detector: PIXEL / Date: Mar 9, 2017 / Details: mirrors
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9792 Å / Relative weight: 1
ReflectionResolution: 2.55→30 Å / Num. obs: 41852 / % possible obs: 99.9 % / Observed criterion σ(I): -3 / Redundancy: 25.6 % / Rmerge(I) obs: 0.144 / Net I/σ(I): 34.5
Reflection shellResolution: 2.55→2.59 Å / Redundancy: 22.7 % / Rmerge(I) obs: 2.27 / Mean I/σ(I) obs: 1.8 / Num. unique obs: 2053 / CC1/2: 0.722 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX1.11.1_2575refinement
HKL-3000data reduction
HKL-3000data scaling
HKL-3000phasing
SBC-Collectdata collection
RefinementMethod to determine structure: SAD / Resolution: 2.55→29.724 Å / SU ML: 0.4 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 27.26 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2322 2035 4.87 %
Rwork0.1807 --
obs0.1833 41787 99.37 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 2.55→29.724 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7377 0 0 23 7400
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0087517
X-RAY DIFFRACTIONf_angle_d0.96510129
X-RAY DIFFRACTIONf_dihedral_angle_d16.9724495
X-RAY DIFFRACTIONf_chiral_restr0.0611133
X-RAY DIFFRACTIONf_plane_restr0.0061303
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.5458-2.6050.3751170.28822464X-RAY DIFFRACTION93
2.605-2.67010.34711530.2792582X-RAY DIFFRACTION100
2.6701-2.74220.34061410.26812626X-RAY DIFFRACTION100
2.7422-2.82290.3341250.25642634X-RAY DIFFRACTION99
2.8229-2.91390.3141330.24362631X-RAY DIFFRACTION100
2.9139-3.0180.33571430.24212637X-RAY DIFFRACTION100
3.018-3.13870.27911210.2362644X-RAY DIFFRACTION100
3.1387-3.28140.23751260.21222651X-RAY DIFFRACTION100
3.2814-3.45410.25921350.21182647X-RAY DIFFRACTION100
3.4541-3.67020.23681460.18532637X-RAY DIFFRACTION99
3.6702-3.95290.26221400.17262663X-RAY DIFFRACTION100
3.9529-4.34960.21461450.15572659X-RAY DIFFRACTION100
4.3496-4.97650.18781260.13612712X-RAY DIFFRACTION100
4.9765-6.26020.21921110.16262752X-RAY DIFFRACTION100
6.2602-29.72560.19171730.1642813X-RAY DIFFRACTION99
Refinement TLS params.

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
13.77134.417-3.57495.5991-3.08866.2152-0.58641.94161.5338-1.28920.01090.03380.8162-2.8616-0.70950.83440.1192-0.25721.39950.25181.031838.67916.9232-37.2942
28.7487-3.0804-3.75285.013-1.44283.59560.19311.60091.29621.0691-0.92950.3799-1.02910.99620.87470.5811-0.1156-0.15640.80570.10220.952431.86816.9426-27.2338
38.48437.18611.72916.1420.85061.29570.3387-0.07120.68320.2624-0.23620.3369-0.1217-0.2418-0.02890.76760.00210.09430.776-0.04480.92832.0418.1665-18.283
42.7122-4.1924-2.72198.11644.5423.46450.34051.38090.8778-1.3167-0.1059-0.3413-0.6642-0.1293-0.22820.8397-0.11020.09620.77710.14080.593742.72798.7772-29.5054
57.813-0.0465-2.05275.9183-1.03331.8334-0.21810.7823-0.5081-0.32610.07380.14640.1216-0.02020.10710.4394-0.0462-0.01190.5114-0.07270.4142.153-4.1799-23.5916
69.47791.26910.79933.3255-2.13342.5009-0.27241.8116-0.279-0.76570.26490.33850.46720.5117-0.36120.5761-0.0035-0.02830.6938-0.00710.513337.9235-3.326-27.2351
77.0477.1028-6.46457.2434-6.56255.91970.5709-1.21030.40630.0624-1.0125-0.70760.16240.91680.43320.68810.10080.08790.6362-0.10570.748531.0503-14.323-16.0065
85.2729-4.3068-3.22643.63062.4422.2289-0.38571.241-0.7255-0.0144-0.05560.16780.0196-0.42890.56920.6543-0.211-0.05370.7317-0.01910.993216.426-18.5251-15.3721
94.6806-3.1493-4.26152.42593.13564.18080.9362-0.52760.1417-0.4832-0.03870.29170.27050.5437-0.90610.583-0.1234-0.1680.61460.00340.711419.5346-9.9257-23.8028
105.22-2.9828-4.76065.48534.18144.4377-0.13621.4463-0.2550.5673-0.23450.72630.832-1.94870.48710.5187-0.1287-0.01180.87030.00830.670410.7966-8.2264-14.0292
118.9166-4.5329-6.28727.66154.30146.04450.2987-0.16110.245-0.1288-0.01850.1937-0.3278-0.429-0.29730.50810.0026-0.03890.61240.0730.513618.091-2.4606-12.1274
128.4909-0.77010.65658.73512.38226.9299-0.3422-0.9062-0.34420.45270.2368-0.33010.6526-0.03320.05320.46110.0202-0.01810.47720.03480.433123.7938-12.3694-3.9606
134.7415.07782.92835.51243.30872.49290.5279-2.4792-0.26411.12530.0558-0.1855-0.07520.3612-0.88880.6446-0.00830.02780.8943-0.00350.538624.4069-5.62931.6358
146.4328-5.09051.21516.82811.40242.17540.4413-2.6512-1.10010.34430.454-0.0564-1.346-2.0832-0.97770.7913-0.14580.10411.56270.04660.715436.4705-6.552234.3462
157.8595-7.04724.48778.9605-0.78646.34510.2298-0.4387-0.65930.2224-0.09050.72360.6736-0.2859-0.12010.79270.06030.15040.89730.11570.686726.3201-6.93719.0033
165.6658-5.73370.69945.7759-1.07062.8201-0.742-1.105-0.78830.43710.7018-0.5268-0.0241-0.0346-0.26971.02830.1074-0.04050.85120.08381.004335.0259-15.191615.1067
171.21370.3789-0.60722.06460.20944.44740.2892-1.3767-0.72131.2380.2942-0.22631.0388-0.286-0.64531.01670.173-0.13931.14170.29840.970239.3015-10.591927.8329
189.17530.14350.47317.95880.60873.1659-0.6162-0.67610.63990.21980.16420.5249-0.07160.64450.48640.75430.13660.05830.8434-0.08050.660540.31639.363419.9151
197.9712-4.47470.05955.995-0.53913.46230.1636-0.9106-0.6848-0.97110.5211-0.42070.41770.9971-0.48650.63080.2406-0.00880.8788-0.00930.701943.0225-5.037720.1911
208.6813-4.7486-5.66643.81346.02949.8774-0.3428-1.5562-0.56160.28070.13450.7867-0.6680.1906-0.06660.64490.2361-0.04230.98020.02370.452239.7253-1.607919.6115
212.83981.2907-2.0492.01134.52654.3376-0.1673-0.59950.6032.24591.08011.16010.57641.5897-0.52971.32370.3808-0.0281.7492-0.30960.840236.38118.314531.1182
223.7234-3.8867-3.97254.47354.22635.76480.6665-0.45950.2282-1.13360.8171-0.47090.32721.292-1.20530.75450.25330.02920.886-0.10350.536936.9688-4.104817.6063
235.9744-6.0865.69576.4744-6.03265.51350.20180.5925-0.8352-0.368-0.19140.1617-0.51241.1477-0.07670.86360.00960.09130.8645-0.11080.691532.131711.723510.5353
242.8411-0.33892.96855.50813.81556.4309-0.6243-0.91050.68090.15730.0727-1.4149-0.8786-1.48490.75020.82260.35510.09010.7692-0.01920.997918.063417.75389.2188
256.81910.38976.01625.53560.132310.00290.6203-0.215-0.04520.0285-0.5176-0.15370.2252-0.5121-0.10390.60520.24940.13440.98350.03230.540819.53749.413317.6904
264.1215-0.26525.74434.3015-0.20128.0105-0.0008-0.6764-0.9028-0.3340.34890.6477-0.9107-1.6138-0.27210.55820.30210.03040.9630.07240.713511.3128.16367.4219
277.36811.89477.27354.56033.33228.79150.5442-0.2944-0.01050.1077-0.0650.04120.1897-0.5125-0.38030.530.14340.05240.79680.01610.494119.88523.54837.8551
284.9462-0.0585.00972.6167-0.16595.2272-0.50030.53-0.49351.35460.70031.45940.7344-0.6489-0.24440.92560.07180.08010.89060.2041.05414.3935-2.34913.6682
295.3402-5.12754.72284.7757-4.483.9092-0.06540.2712-0.08050.07210.7180.2472-0.7803-0.0009-0.13050.7089-0.06110.08250.7702-0.0480.642625.550413.64110.1724
302.7181-4.65412.42358.8448-2.10545.80781.03740.1567-0.2522-1.3177-0.0677-0.0043-0.84310.149-0.91830.64490.08920.07510.609-0.03480.505626.526411.707-1.4231
312.9482-0.3074-1.08016.87221.87648.5953-0.6962-0.1378-0.5193-0.14220.3031-0.0722-0.78560.04960.44230.533-0.0426-0.03360.52390.05110.510424.38317.2876-3.1594
323.2142-2.7522-4.5099.89844.26896.41340.4760.35091.0091-0.16580.0937-0.51420.19530.1154-0.84040.59140.06980.0340.814-0.10660.601327.56973.5913-7.2658
336.71430.4828-4.59457.34632.45864.3113-1.17041.95710.13720.9067-0.6981-1.1247-1.2112-0.7741.51881.5906-0.203-0.10381.47520.23881.5389-7.654841.19790.8449
345.1689-3.71362.41449.363-6.21857.54760.23240.32150.1159-0.5133-0.15741.0178-0.1832-0.247-0.10360.95120.08310.02710.69010.02130.9545-3.744830.592116.2061
353.6265-4.61043.39227.5911-1.77087.68910.39120.43320.5051-0.8436-0.45580.90460.0886-0.51840.16160.83380.0457-0.12280.75290.02221.2457-12.781437.943221.1028
362.25673.36312.04885.05342.24817.4712-0.32550.93891.1859-1.44080.12550.2261-1.32310.00860.29061.27160.0531-0.05710.74610.38460.9923-5.04644.077710.6498
377.4795-1.59142.06072.99362.29323.2209-0.80980.71380.2757-1.0159-0.3222-1.8734-0.59331.30960.55840.9356-0.0940.33960.99190.33451.565413.161140.945418.3387
382.3172-2.6176-0.174.98840.03515.59-0.43950.25120.2657-1.0204-0.2310.2027-0.18020.48070.43860.79410.06080.09710.52730.15490.86220.075143.835319.1945
399.69283.26192.82635.4095-2.51573.6776-0.96351.1117-0.47460.05872.30521.683-0.6217-0.1247-1.80771.9469-0.01340.28661.25750.17550.865911.111738.92036.8191
409.72190.5545-2.94948.3014-0.45636.31210.5263-0.82560.297-0.1055-0.00240.0178-0.84990.5568-1.00730.8323-0.05060.11690.61070.17750.8261-0.55838.863520.9868
415.3109-5.36077.09185.4676-7.20529.481-0.5194-0.20520.11651.39150.35421.9478-0.93880.96950.1790.7263-0.03260.36240.93390.07191.277214.788531.997626.9824
429.52184.3221-6.36812.6482-3.64765.169-0.2181-0.74450.6907-1.4072-0.2359-0.58280.70471.15080.34290.91670.34180.00340.88630.00620.976119.52717.392826.9306
436.67071.94650.73658.6716-6.75279.51110.67821.15260.5134-0.05640.13980.4783-0.70720.6021-0.79440.87350.21470.24120.73710.01240.645511.203720.481318.6455
449.1274-2.89160.39760.9768-0.65413.7581-0.2497-0.3871-0.7987-0.3293-0.1823-0.81671.58240.55340.36741.26960.24720.12610.5850.04210.79679.335511.334328.0955
459.00447.5445-4.43519.119-6.2518.3732-0.28230.65390.4461-0.59960.5951-0.28760.50930.0078-0.180.64220.09440.1230.45750.02950.5235.50720.34528.5689
465.13072.8897-1.35983.7407-4.46746.58430.88950.3654-0.70331.2324-0.58730.15860.9134-0.2002-0.40260.92570.0608-0.03580.65060.03440.8792-0.813815.18132.344
479.2159-2.24271.12786.564-1.51387.39630.53280.27210.88170.4576-0.66640.24310.08041.1350.11750.5876-0.00030.11340.5832-0.05580.688115.33324.623337.395
485.45521.81741.15792.2227-1.43926.14260.4491-0.37691.27820.4555-0.365-0.1691-0.72590.8194-0.02890.7257-0.01130.23480.5876-0.05160.69049.898423.442140.0099
492.92392.44352.37254.35456.179.34540.1025-0.03760.94072.01350.6591.0347-0.86150.7202-0.65641.0866-0.03710.24020.52020.06060.9066.396826.525444.4636
503.58715.25015.12248.9996.38568.78430.18640.5078-0.1313-0.110.4941-1.17791.0961.2861-0.86221.0723-0.44460.10941.4352-0.46421.24097.218529.49968.281
514.26845.73170.91798.5694-1.03244.57031.6105-1.77281.70041.2806-1.3365-0.3906-0.59631.7092-0.47190.8777-0.20180.24911.3139-0.41411.370611.304629.026757.5793
522.02191.3552-0.98754.14990.42915.8476-0.7828-1.3460.97621.2709-1.7231.0168-0.62190.4929-3.08211.1185-1.0198-0.27021.3951-1.99671.686911.361538.026970.3395
539.45926.6219-2.95996.0083-5.21048.0183-0.1125-1.0344-0.6786-0.1489-0.0555-1.0189-0.94740.37490.211.2052-0.03350.35480.9162-0.31531.506-8.908339.31862.5656
543.87330.56152.58591.58070.28571.61431.4898-1.11182.93011.0849-0.7071-0.338-0.67580.7275-0.51.1413-0.45980.34831.2367-0.63671.87794.688140.94262.2988
558.4225-1.551-4.31235.9483-1.29865.1128-0.5181-1.3643-0.47481.05710.1922-0.6486-0.18780.8659-0.06381.1598-0.28880.26121.0409-0.47941.1417-1.795934.844166.9543
565.08546.08295.47957.43716.54165.9-1.04530.66380.5806-1.39111.2713-1.058-1.2842-0.1027-0.38281.0817-0.06460.46280.8519-0.18331.3534-11.17731.256853.1324
574.2873-2.4282-4.51765.45882.66424.8087-0.0618-0.22681.28560.7998-0.52220.91870.9455-0.70690.48491.0193-0.32430.12730.6504-0.03230.9151-16.762616.913951.1716
584.26213.41183.7413.64823.91684.37750.2555-1.63120.1386-1.34040.2417-0.6049-0.7594-1.0023-0.58860.8444-0.22030.14580.954-0.1670.8262-8.494618.332759.8516
593.6989-1.9218-1.74784.85524.25463.70470.35780.0629-0.485-0.779-0.21940.01080.5804-0.67990.2081.0532-0.21160.09550.655-0.08130.7152-7.378510.501249.2472
604.94690.6162-0.37627.21293.86947.59220.3754-0.61240.13420.79630.28-0.06990.52740.8649-0.62270.7449-0.02310.03410.5413-0.09330.5753-0.767417.437848.2982
618.02492.6438-1.03953.34451.29095.8410.5261-0.03511.3406-0.2388-0.16020.3631-0.2876-0.9274-0.28180.69510.02760.20850.5141-0.0070.7866-9.871224.845840.6346
622.3872.2408-3.74953.5092-5.53058.59950.9182-0.01110.7421-0.0245-0.9317-0.4604-0.29030.1766-0.45920.60670.06770.16080.5858-0.09370.864-3.625123.398935.6002
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 144 through 154 )
2X-RAY DIFFRACTION2chain 'A' and (resid 155 through 161 )
3X-RAY DIFFRACTION3chain 'A' and (resid 162 through 185 )
4X-RAY DIFFRACTION4chain 'A' and (resid 186 through 206 )
5X-RAY DIFFRACTION5chain 'A' and (resid 207 through 244 )
6X-RAY DIFFRACTION6chain 'A' and (resid 245 through 261 )
7X-RAY DIFFRACTION7chain 'B' and (resid 1 through 8 )
8X-RAY DIFFRACTION8chain 'B' and (resid 9 through 16 )
9X-RAY DIFFRACTION9chain 'B' and (resid 17 through 28 )
10X-RAY DIFFRACTION10chain 'B' and (resid 29 through 39 )
11X-RAY DIFFRACTION11chain 'B' and (resid 40 through 69 )
12X-RAY DIFFRACTION12chain 'B' and (resid 70 through 107 )
13X-RAY DIFFRACTION13chain 'B' and (resid 108 through 116 )
14X-RAY DIFFRACTION14chain 'C' and (resid 145 through 154 )
15X-RAY DIFFRACTION15chain 'C' and (resid 155 through 174 )
16X-RAY DIFFRACTION16chain 'C' and (resid 175 through 185 )
17X-RAY DIFFRACTION17chain 'C' and (resid 186 through 206 )
18X-RAY DIFFRACTION18chain 'C' and (resid 207 through 219 )
19X-RAY DIFFRACTION19chain 'C' and (resid 220 through 235 )
20X-RAY DIFFRACTION20chain 'C' and (resid 236 through 245 )
21X-RAY DIFFRACTION21chain 'C' and (resid 246 through 251 )
22X-RAY DIFFRACTION22chain 'C' and (resid 252 through 261 )
23X-RAY DIFFRACTION23chain 'D' and (resid 1 through 8 )
24X-RAY DIFFRACTION24chain 'D' and (resid 9 through 16 )
25X-RAY DIFFRACTION25chain 'D' and (resid 17 through 28 )
26X-RAY DIFFRACTION26chain 'D' and (resid 29 through 39 )
27X-RAY DIFFRACTION27chain 'D' and (resid 40 through 59 )
28X-RAY DIFFRACTION28chain 'D' and (resid 60 through 69 )
29X-RAY DIFFRACTION29chain 'D' and (resid 70 through 82 )
30X-RAY DIFFRACTION30chain 'D' and (resid 83 through 91 )
31X-RAY DIFFRACTION31chain 'D' and (resid 92 through 107 )
32X-RAY DIFFRACTION32chain 'D' and (resid 108 through 116 )
33X-RAY DIFFRACTION33chain 'E' and (resid 143 through 149 )
34X-RAY DIFFRACTION34chain 'E' and (resid 150 through 174 )
35X-RAY DIFFRACTION35chain 'E' and (resid 175 through 190 )
36X-RAY DIFFRACTION36chain 'E' and (resid 191 through 206 )
37X-RAY DIFFRACTION37chain 'E' and (resid 207 through 219 )
38X-RAY DIFFRACTION38chain 'E' and (resid 220 through 245 )
39X-RAY DIFFRACTION39chain 'E' and (resid 246 through 251 )
40X-RAY DIFFRACTION40chain 'E' and (resid 252 through 261 )
41X-RAY DIFFRACTION41chain 'F' and (resid 1 through 8 )
42X-RAY DIFFRACTION42chain 'F' and (resid 9 through 16 )
43X-RAY DIFFRACTION43chain 'F' and (resid 17 through 28 )
44X-RAY DIFFRACTION44chain 'F' and (resid 29 through 39 )
45X-RAY DIFFRACTION45chain 'F' and (resid 40 through 59 )
46X-RAY DIFFRACTION46chain 'F' and (resid 60 through 69 )
47X-RAY DIFFRACTION47chain 'F' and (resid 70 through 91 )
48X-RAY DIFFRACTION48chain 'F' and (resid 92 through 107 )
49X-RAY DIFFRACTION49chain 'F' and (resid 108 through 116 )
50X-RAY DIFFRACTION50chain 'G' and (resid 151 through 161 )
51X-RAY DIFFRACTION51chain 'G' and (resid 162 through 185 )
52X-RAY DIFFRACTION52chain 'G' and (resid 186 through 206 )
53X-RAY DIFFRACTION53chain 'G' and (resid 207 through 219 )
54X-RAY DIFFRACTION54chain 'G' and (resid 220 through 244 )
55X-RAY DIFFRACTION55chain 'G' and (resid 245 through 259 )
56X-RAY DIFFRACTION56chain 'H' and (resid 1 through 8 )
57X-RAY DIFFRACTION57chain 'H' and (resid 9 through 16 )
58X-RAY DIFFRACTION58chain 'H' and (resid 17 through 28 )
59X-RAY DIFFRACTION59chain 'H' and (resid 29 through 39 )
60X-RAY DIFFRACTION60chain 'H' and (resid 40 through 69 )
61X-RAY DIFFRACTION61chain 'H' and (resid 70 through 107 )
62X-RAY DIFFRACTION62chain 'H' and (resid 108 through 115 )

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