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- PDB-6x61: Crystal structure of the N-terminal thioredoxin domain of SasA in... -

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Basic information

Entry
Database: PDB / ID: 6x61
TitleCrystal structure of the N-terminal thioredoxin domain of SasA in complex with the N-terminal CI domain of KaiC from Thermosynchococcus elongatus
Components
  • Adaptive-response sensory-kinase SasA
  • Circadian clock protein kinase KaiC
KeywordsTRANSCRIPTION/TRANSFERASE / Transcription regulator / complex / circadian clock / TRANSCRIPTION / TRANSCRIPTION-TRANSFERASE complex
Function / homology
Function and homology information


histidine kinase / phosphorelay sensor kinase activity / protein serine/threonine/tyrosine kinase activity / Hydrolases; Acting on acid anhydrides; Acting on acid anhydrides to facilitate cellular and subcellular movement / regulation of circadian rhythm / circadian rhythm / kinase activity / protein autophosphorylation / non-specific serine/threonine protein kinase / protein serine kinase activity ...histidine kinase / phosphorelay sensor kinase activity / protein serine/threonine/tyrosine kinase activity / Hydrolases; Acting on acid anhydrides; Acting on acid anhydrides to facilitate cellular and subcellular movement / regulation of circadian rhythm / circadian rhythm / kinase activity / protein autophosphorylation / non-specific serine/threonine protein kinase / protein serine kinase activity / protein serine/threonine kinase activity / regulation of DNA-templated transcription / magnesium ion binding / ATP hydrolysis activity / DNA binding / ATP binding / identical protein binding
Similarity search - Function
Adaptive-response sensory-kinase SasA / KaiB domain / KaiB domain / KaiB / Circadian clock KaiC, bacteria / : / Circadian clock protein kinase KaiC / : / KaiC domain / KaiC domain profile. ...Adaptive-response sensory-kinase SasA / KaiB domain / KaiB domain / KaiB / Circadian clock KaiC, bacteria / : / Circadian clock protein kinase KaiC / : / KaiC domain / KaiC domain profile. / KaiC-like domain / KaiC / His Kinase A (phospho-acceptor) domain / His Kinase A (phosphoacceptor) domain / Signal transduction histidine kinase, dimerisation/phosphoacceptor domain / Signal transduction histidine kinase, dimerisation/phosphoacceptor domain superfamily / Signal transduction histidine kinase-related protein, C-terminal / Histidine kinase domain / Histidine kinase domain profile. / Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase / Histidine kinase-like ATPases / Histidine kinase/HSP90-like ATPase / Histidine kinase/HSP90-like ATPase superfamily / Thioredoxin-like superfamily / P-loop containing nucleoside triphosphate hydrolase
Similarity search - Domain/homology
PHOSPHATE ION / Circadian clock oscillator protein KaiC / Adaptive-response sensory-kinase SasA
Similarity search - Component
Biological speciesThermosynechococcus elongatus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.2 Å
AuthorsSwan, J.A. / Tripathi, S.M. / Partch, C.L.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM121507 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM107521 United States
CitationJournal: Science / Year: 2021
Title: Reconstitution of an intact clock reveals mechanisms of circadian timekeeping.
Authors: Chavan, A.G. / Swan, J.A. / Heisler, J. / Sancar, C. / Ernst, D.C. / Fang, M. / Palacios, J.G. / Spangler, R.K. / Bagshaw, C.R. / Tripathi, S. / Crosby, P. / Golden, S.S. / Partch, C.L. / LiWang, A.
History
DepositionMay 27, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 2, 2021Provider: repository / Type: Initial release
Revision 1.1Dec 15, 2021Group: Database references / Source and taxonomy
Category: citation / citation_author ...citation / citation_author / database_2 / entity_src_gen
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity_src_gen.pdbx_gene_src_scientific_name
Revision 1.2Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Circadian clock protein kinase KaiC
B: Adaptive-response sensory-kinase SasA
C: Circadian clock protein kinase KaiC
D: Adaptive-response sensory-kinase SasA
E: Circadian clock protein kinase KaiC
F: Adaptive-response sensory-kinase SasA
G: Circadian clock protein kinase KaiC
H: Adaptive-response sensory-kinase SasA
I: Circadian clock protein kinase KaiC
J: Adaptive-response sensory-kinase SasA
K: Circadian clock protein kinase KaiC
L: Adaptive-response sensory-kinase SasA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)242,77418
Polymers242,20412
Non-polymers5706
Water00
1
A: Circadian clock protein kinase KaiC
B: Adaptive-response sensory-kinase SasA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,4623
Polymers40,3672
Non-polymers951
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2450 Å2
ΔGint-12 kcal/mol
Surface area15070 Å2
MethodPISA
2
C: Circadian clock protein kinase KaiC
D: Adaptive-response sensory-kinase SasA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,4623
Polymers40,3672
Non-polymers951
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2430 Å2
ΔGint-12 kcal/mol
Surface area14610 Å2
MethodPISA
3
E: Circadian clock protein kinase KaiC
F: Adaptive-response sensory-kinase SasA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,4623
Polymers40,3672
Non-polymers951
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2410 Å2
ΔGint-11 kcal/mol
Surface area15180 Å2
MethodPISA
4
G: Circadian clock protein kinase KaiC
H: Adaptive-response sensory-kinase SasA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,4623
Polymers40,3672
Non-polymers951
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2300 Å2
ΔGint-12 kcal/mol
Surface area15440 Å2
MethodPISA
5
I: Circadian clock protein kinase KaiC
J: Adaptive-response sensory-kinase SasA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,4623
Polymers40,3672
Non-polymers951
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2390 Å2
ΔGint-11 kcal/mol
Surface area14900 Å2
MethodPISA
6
K: Circadian clock protein kinase KaiC
L: Adaptive-response sensory-kinase SasA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,4623
Polymers40,3672
Non-polymers951
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2480 Å2
ΔGint-12 kcal/mol
Surface area14530 Å2
MethodPISA
Unit cell
Length a, b, c (Å)107.600, 121.580, 133.590
Angle α, β, γ (deg.)90.00, 108.78, 90.00
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein
Circadian clock protein kinase KaiC


Mass: 27738.166 Da / Num. of mol.: 6 / Fragment: N-terminal CI domain / Mutation: R41A, K173A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermosynechococcus elongatus (bacteria)
Strain: BP-1 / Gene: kaiC, tlr0483 / Production host: Escherichia coli (E. coli)
References: UniProt: Q79V60, non-specific serine/threonine protein kinase
#2: Protein
Adaptive-response sensory-kinase SasA


Mass: 12629.217 Da / Num. of mol.: 6 / Fragment: N-terminal thioredoxin domain / Mutation: P16A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermosynechococcus elongatus (bacteria)
Strain: BP-1 / Gene: sasA, tlr0029 / Production host: Escherichia coli (E. coli) / References: UniProt: Q8DMT2, histidine kinase
#3: Chemical
ChemComp-PO4 / PHOSPHATE ION


Mass: 94.971 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: PO4
Has ligand of interestN

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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: 3.77 Å3/Da / Density % sol: 67.41 % / Description: flat plates
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop
Details: 1.26 M NaH2PO4, 0.54 M K2HPO4 (pH unadjusted), 0.1 M Glycine pH 10.5, 0.2 M Li2SO4, 22 degrees C

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.0331 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Mar 11, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0331 Å / Relative weight: 1
ReflectionResolution: 3.2→49.05 Å / Num. obs: 53267 / % possible obs: 98.8 % / Redundancy: 2.9 % / CC1/2: 0.95 / Rmerge(I) obs: 0.16 / Net I/σ(I): 5.5
Reflection shellResolution: 3.2→3.3 Å / Rmerge(I) obs: 0.75 / Mean I/σ(I) obs: 1.5 / Num. unique obs: 4635 / CC1/2: 0.58

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Processing

Software
NameVersionClassification
PHENIX1.15.2_3472refinement
iMOSFLMdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5JWO

5jwo


Resolution: 3.2→49.049 Å / SU ML: 0.45 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 27.69 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2653 2634 4.95 %
Rwork0.2217 --
obs0.2239 53220 98.71 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.2→49.049 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15469 0 30 0 15499
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00315818
X-RAY DIFFRACTIONf_angle_d0.77821460
X-RAY DIFFRACTIONf_dihedral_angle_d5.0599460
X-RAY DIFFRACTIONf_chiral_restr0.0472422
X-RAY DIFFRACTIONf_plane_restr0.0042774
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.2-3.25820.35391350.30092692X-RAY DIFFRACTION99
3.2582-3.32090.31451410.28912637X-RAY DIFFRACTION99
3.3209-3.38860.29891360.28742679X-RAY DIFFRACTION99
3.3886-3.46230.3471430.2782671X-RAY DIFFRACTION99
3.4623-3.54280.31671220.272657X-RAY DIFFRACTION99
3.5428-3.63140.3421410.25442638X-RAY DIFFRACTION99
3.6314-3.72950.3011370.23892671X-RAY DIFFRACTION99
3.7295-3.83930.25981330.23572701X-RAY DIFFRACTION100
3.8393-3.96310.28331610.2282625X-RAY DIFFRACTION99
3.9631-4.10470.28621410.22152638X-RAY DIFFRACTION99
4.1047-4.2690.24741480.20272680X-RAY DIFFRACTION99
4.269-4.46310.26031520.18812659X-RAY DIFFRACTION99
4.4631-4.69820.20421410.18152655X-RAY DIFFRACTION99
4.6982-4.99230.24681420.17852637X-RAY DIFFRACTION99
4.9923-5.37740.23681600.19412644X-RAY DIFFRACTION98
5.3774-5.91770.24921220.21452656X-RAY DIFFRACTION98
5.9177-6.77210.23511180.22012702X-RAY DIFFRACTION98
6.7721-8.52480.24511360.21112660X-RAY DIFFRACTION97
8.5248-490.21471250.20412684X-RAY DIFFRACTION96
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)
16.2888-0.24020.22250.9934-0.48230.2559-0.1614-0.28060.63780.12240.1745-0.29120.31190.35350.11171.14370.0255-0.29730.5603-0.01230.382872.28590.348126.004
22.72580.10330.88940.00710.06110.7674-0.1232-0.15160.4190.32370.0693-0.3554-0.12340.16070.06081.01840.2464-0.79970.7423-0.19350.179776.45784.501128.817
35.8874-2.41224.99893.7108-3.41948.9160.08520.4423-0.25820.32660.4194-0.1768-0.24080.7828-0.44930.6550.1263-0.05740.4052-0.02530.240267.11682.076111.503
43.18240.29892.80350.0995-0.30428.2424-0.29590.15630.1481.14110.284-0.0305-0.59650.09530.16680.8654-0.0224-0.03040.3726-0.0140.118358.66184.495116.379
52.1673-2.5891.12043.5598-1.70171.03470.26540.0535-0.0430.4262-0.50650.4343-0.2697-0.39590.11871.06350.1712-0.1480.5746-0.05160.366954.18994.761122.503
63.5668-0.1476-1.8270.6811-0.18625.9718-0.146-0.1530.0256-0.4576-0.66210.72160.1108-0.77850.71810.74030.1114-0.02270.412-0.12560.204952.2596.102127.542
78.0102-3.7456-3.76073.6209-1.33166.9937-0.1693-0.3685-0.37360.7547-0.5009-0.0557-0.2442-0.06190.69830.7970.0801-0.09220.40570.00480.289851.88896.985135.415
81.5438-0.4620.46191.6988-2.11663.1611-0.0453-0.291-0.03260.16540.05640.1364-0.0838-0.2078-0.10961.89310.0958-0.4140.23930.28260.170759.11898.626140.796
97.82334.8295-0.12115.6563-1.99191.48570.1103-0.319-0.94750.3153-0.3328-0.5962-0.1401-0.24670.24540.32590.0252-0.09950.1893-0.0540.258970.23576.70699.523
103.83642.6665-0.52623.5876-3.34775.2025-0.17250.7896-0.54440.32530.1494-0.3599-0.31-1.1818-0.14990.28890.0413-0.12470.4783-0.04510.31965.17273.9893.412
114.44790.0126-1.4292.13373.48916.172-0.4355-0.2164-0.22630.4894-0.2744-0.5694-0.17260.61320.46710.34720.0094-0.16550.33120.17420.372175.39776.49398.902
124.7831-0.6319-3.23695.5138-2.30783.54320.26350.08060.04740.41140.0628-0.458-0.0239-0.0797-0.27590.4028-0.0331-0.08650.2145-0.01570.280971.29786.30696.611
136.09690.419-3.31993.4155-1.50056.2904-0.30830.2725-0.24710.23580.2126-0.68250.5627-0.09720.25670.55190.0536-0.25130.3396-0.13260.539442.36548.46471.801
142.8218-0.5991-1.2552.7602-2.13682.92130.08570.0099-0.07670.0330.03460.24790.0122-0.1068-0.08950.2964-0.0912-0.1560.3584-0.03710.451632.79159.45778.167
157.88856.1645.60217.84236.69768.17820.5872-0.45440.13750.3407-0.7380.42290.1646-0.69740.10910.30510.005-0.00660.2964-0.02110.211432.4764.7789.216
168.18055.1636-1.10255.1435-1.06824.76620.4238-0.23240.02470.5712-0.08050.2006-0.08730.0172-0.2820.41040.0237-0.10730.1969-0.0160.30543.60261.76689.547
177.2114.6422-0.01355.38753.125.1613-0.08250.54040.3547-0.4399-0.012-0.396-0.7140.42340.21920.3276-0.0579-0.02530.3951-0.05280.410446.89165.41572.991
186.4676-4.32724.82724.0545-4.96498.5584-0.44270.17090.133-0.88240.1867-0.25130.0787-0.29310.07210.5275-0.1395-0.02730.3826-0.14680.484245.25158.97563.761
196.983-0.50923.57496.464-0.01533.6151-0.28740.4243-0.04040.0603-0.21860.1672-0.8122-0.18670.50220.95080.0189-0.15880.3959-0.08030.420436.56556.54861.6
203.9901-2.3482.37033.753-2.72842.1689-1.0416-1.54630.42730.25731.0377-0.33430.50590.3459-0.04340.7871-0.0485-0.00570.5201-0.18650.455643.04568.541106.967
214.18631.0922.12988.78752.90092.63630.2079-0.93170.18240.6724-0.5450.67770.4932-1.15360.40780.6318-0.07790.02710.6224-0.08450.428839.08174.628107.682
225.09234.0363-2.00213.547-1.64841.33430.277-0.17150.24940.9859-0.37271.4877-0.2724-1.02550.17940.7050.27890.39181.37340.06430.724328.8785.652112.571
231.0764-1.58950.95143.3169-0.46441.9962-0.35690.19260.4015-0.37720.19821.397-0.1913-0.25690.1560.4094-0.0687-0.32140.52430.00440.69523.23488.49162.726
244.9546-0.36590.11274.93371.38843.0929-0.19370.1358-0.1759-0.59550.2505-0.14530.3291-0.1206-0.08450.5885-0.1445-0.23930.66770.10310.309836.34988.9955.133
255.16820.91652.0792.2413-2.25454.1326-0.03231.0912-0.3803-0.3789-0.3942-0.73270.35711.21620.460.37030.00360.09570.64060.02390.532350.5787.61874.883
264.51620.6693-1.15933.0791-0.27374.0178-0.1237-0.01540.1563-0.54070.01650.48960.09340.03380.05190.29720.0157-0.17870.2830.00270.341135.75891.22371.896
277.7865-1.96345.65230.8825-1.73224.353-0.0185-0.8268-0.59220.88070.14290.2997-0.4941-0.7353-0.05480.4921-0.0564-0.04080.87280.0280.299229.59586.20479.315
284.5459-2.3151-0.62574.3349-3.31354.3013-0.1057-0.20160.0137-0.9698-0.17961.15320.4767-0.21320.33730.2767-0.1384-0.17520.31490.00470.626621.36773.23866.874
296.6182-3.6375-3.32192.74053.42375.35370.36860.111-0.0052-0.4138-0.36250.5009-0.1869-0.560.13210.7217-0.0598-0.22880.28460.07950.658615.5381.34163.854
308.2382-6.5218-5.49535.19684.33436.82070.76370.52121.1328-0.4288-0.2611-0.4043-0.1989-0.5267-0.53560.3295-0.01780.03670.44320.08050.163657.46699.70374.594
315.6099-5.2271-2.87364.99472.92467.6809-0.0524-0.3715-0.43470.7926-0.28270.0147-0.63170.13950.22610.3807-0.1324-0.03640.29640.07030.240859.383102.36782.244
321.9580.29630.98415.9522-1.5825.66350.4531-0.1147-0.8806-1.1388-0.4177-0.3845-0.18230.1959-0.08420.52660.16330.00960.50640.13470.310672.20597.00776.134
337.112-2.85122.29088.2429-1.28884.16250.14860.30370.0694-0.4819-0.1341-0.1814-0.02280.21470.00180.2935-0.0136-0.02320.2448-0.01410.157159.76792.56273.044
343.93381.9275-0.36513.70870.29082.9020.16160.8198-0.6351-0.9817-0.32520.0927-0.1633-0.3060.26270.5810.2068-0.09920.4627-0.1740.409573.84158.40271.767
356.723-0.5956-2.02067.54270.86058.49070.29760.1853-1.2459-0.3496-0.6560.36740.6021-0.29850.43520.25620.0442-0.03650.3081-0.080.480182.23549.94779.034
366.1532-0.669-0.71075.72991.97741.9463-0.23440.5128-1.1862-0.4110.4253-0.38870.25110.794-0.00110.46040.24490.17360.6319-0.10850.413788.95350.99977.75
378.00453.5243-6.0068.76631.20496.5781-0.732-0.9731-0.61671.0663-0.1351-1.56311.0730.61240.57790.38010.0674-0.1560.65660.0040.358378.04554.549101.324
388.7302-2.1279-5.79273.53061.77757.81260.1027-0.3736-0.2113-0.049-0.1164-0.5562-0.0620.42540.11010.163-0.0014-0.01930.310.08360.246178.51962.46289.357
391.2337-0.38592.35893.1361.48066.20810.75470.3092-0.45870.02120.04190.29021.0056-1.0904-0.19950.41570.1421-0.13120.3027-0.1490.499966.32558.23785.986
403.18973.5872-0.48775.38981.5393.37240.29960.253-0.7435-1.094-0.23790.3197-0.0109-0.0779-0.01120.5740.2056-0.38090.3706-0.16420.656462.11455.13576.169
418.1487-1.8118-0.63741.443-1.74083.4742-0.02381.16360.18670.4743-0.3274-0.3645-0.7341-0.8430.42740.77610.2422-0.33360.7862-0.21870.593162.43761.54468.523
426.99866.5634-0.88036.8501-3.38049.4169-0.2670.943-0.2316-1.90370.2927-0.64130.64820.8576-0.14590.69550.1033-0.07830.4707-0.2290.499768.48749.68564.1
436.2644-3.86191.79167.639-0.68492.4949-0.1487-0.5636-0.14270.2738-0.0918-0.0298-0.2152-0.36730.21680.58980.0293-0.23720.65450.24170.285887.64763.368105.277
442.165-0.8449-1.04335.2511-4.24324.9047-0.3806-1.14950.61160.78220.3115-0.927-0.9041-0.17030.05050.8164-0.138-0.25750.58750.06750.450386.0966.778112.986
455.6674-1.9510.24755.072-3.64913.56240.0275-0.58360.27890.3718-0.5692-1.12470.39462.14760.55470.6739-0.0715-0.17690.62310.18390.575393.25158.705111.958
463.54871.17460.51422.2624-0.97415.004-0.2672-0.1476-0.68750.6235-0.2953-0.95660.62290.72440.40910.54240.1857-0.06320.40950.11140.407585.67452.905108.289
473.87340.5661-0.90310.4677-0.86771.80480.4015-0.2808-0.12731.1952-0.4677-1.4099-0.89010.62440.1190.626-0.4064-0.37970.57230.27911.187482.529122.42780.736
484.32446.3215.07719.28167.41765.9632-0.55911.24251.3813-0.98880.17950.7102-0.19790.06520.41560.34290.09190.01580.65290.19740.57160.52121.56567.145
496.33921.947-2.88963.7082-0.26784.38160.37440.62910.11370.1073-0.4092-0.8955-0.2049-0.03560.00220.26890.0201-0.01840.32480.16840.365670.574113.85673.649
503.00391.0115-0.00882.51790.58480.8076-0.2953-0.00240.51190.5457-0.181-0.0678-0.82010.08280.27520.9814-0.1416-0.24630.3710.17950.409668.435120.03889.893
511.30571.10740.85281.52280.9161.96190.1427-0.5448-0.070.4707-0.1443-0.4961-0.38110.39380.24761.3872-0.5674-1.26260.81760.27060.374379.802120.63397.532
525.7665-2.11373.19859.2578-5.39253.9080.0977-0.0033-0.4685-1.2483-0.047-0.04730.70080.4608-0.11110.53020.19010.12260.43110.07740.240258.623111.43954.511
534.08431.30350.67731.90651.86231.9432-0.12740.7606-0.1307-0.7306-0.0257-0.3215-0.54250.71110.18590.33060.19070.26830.7610.3220.437865.411118.06454.055
544.7465-0.3388-0.36584.7799-0.18542.76640.2797-0.470.443-0.3387-0.7881-1.1709-0.2127-0.0880.43280.2310.0351-0.02630.66020.11790.378260.013123.60356.966
552.4543-2.6193.03418.0651-3.25729.20320.36340.84630.5193-0.2046-0.31610.2995-1.19170.0331-0.08970.39160.14650.01560.56140.22910.526552.149127.71351.984
566.5445-1.95180.83819.4001-6.19524.4126-0.53-0.1930.4114-0.17790.7391-0.4296-0.6927-0.1254-0.24071.0029-0.047-0.160.3667-0.12250.440763.768127.787113.187
571.5322-0.2667-0.6170.98871.23171.8274-0.0486-0.23780.11040.0202-0.1819-0.329-0.4261-0.05080.12151.0770.1168-0.24850.3749-0.04180.290852.856116.797117.366
584.9175-1.3178-1.62453.30174.13896.8679-0.1312-0.297-0.10170.4252-0.52910.3201-0.1468-0.77640.67630.77150.1073-0.16230.2693-0.00170.27743.644111.537111.234
596.0290.124-0.69440.89111.88884.3579-0.11410.0458-0.00220.82760.034-0.1057-0.1931-0.15430.1010.7489-0.0338-0.15690.2196-0.01030.270850.02114.575102.022
605.35044.5616-0.41364.44871.36435.58360.5327-0.7223-1.6335-0.0968-0.3649-0.46390.81290.219-0.42621.1349-0.057-0.25850.461-0.04290.380463.747110.997109.424
616.88183.5195-1.96145.63351.7135.8895-0.74980.07760.26920.14940.266-0.2085-0.55670.44030.57490.7936-0.0411-0.14540.36430.00950.28666.663110.857108.543
625.8722.7463-3.24048.0655-1.13447.4298-0.0904-0.4283-0.2123-0.4648-0.169-0.57510.24430.67180.32030.7342-0.1044-0.2720.391-0.07730.577571.809117.357115.605
630.05340.4549-0.17665.85641.20287.12980.5775-0.2577-0.24130.4304-0.4242-0.227-0.46450.69080.00811.2197-0.0214-0.4050.50970.00770.624468.593119.776124.022
646.1617-4.0024-2.48875.6719-0.28688.43590.558-0.24161.24880.21420.62730.2104-0.0171-0.252-1.02340.657-0.1309-0.20310.5281-0.19260.511335.408107.70592.363
654.975.72411.11827.26861.35937.47310.1799-0.04311.52440.6249-0.20560.65870.31660.00530.1920.58190.1286-0.00810.3432-0.13510.654434.138103.81384.727
666.4832-0.0652.66762.17773.87258.9509-0.4866-0.67240.0352-0.1862-0.35660.7431-0.282-1.50030.76710.73440.0424-0.08290.5774-0.12910.549731.753103.85597.988
677.51792.6019-1.88486.7386-4.09512.50790.1959-1.6098-0.2950.0286-0.16680.62671.6053-0.86980.08170.601-0.32870.02660.70490.07240.358132.81391.49394.759
683.23681.85933.10864.58971.4994.0517-0.1066-0.87340.11810.8527-0.47690.0149-0.1988-1.06030.33061.53590.03560.05560.8230.06020.221756.06784.524138.179
690.85780.1233-0.53020.79660.4262.0759-0.2173-0.2484-0.13330.5023-0.15080.00620.08270.3802-0.18111.27390.0653-0.2620.4372-0.06740.024763.70489.943131.419
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN K AND RESID 51:73 )K51 - 73
2X-RAY DIFFRACTION2( CHAIN K AND RESID 74:90 )K74 - 90
3X-RAY DIFFRACTION3( CHAIN K AND RESID 91:120 )K91 - 120
4X-RAY DIFFRACTION4( CHAIN K AND RESID 121:157 )K121 - 157
5X-RAY DIFFRACTION5( CHAIN K AND RESID 158:180 )K158 - 180
6X-RAY DIFFRACTION6( CHAIN K AND RESID 181:195 )K181 - 195
7X-RAY DIFFRACTION7( CHAIN K AND RESID 196:216 )K196 - 216
8X-RAY DIFFRACTION8( CHAIN K AND RESID 217:231 )K217 - 231
9X-RAY DIFFRACTION9( CHAIN L AND RESID 15:21 )L15 - 21
10X-RAY DIFFRACTION10( CHAIN L AND RESID 22:34 )L22 - 34
11X-RAY DIFFRACTION11( CHAIN L AND RESID 35:58 )L35 - 58
12X-RAY DIFFRACTION12( CHAIN L AND RESID 59:94 )L59 - 94
13X-RAY DIFFRACTION13( CHAIN A AND RESID 19:23 )A19 - 23
14X-RAY DIFFRACTION14( CHAIN A AND RESID 24:73 )A24 - 73
15X-RAY DIFFRACTION15( CHAIN A AND RESID 74:106 )A74 - 106
16X-RAY DIFFRACTION16( CHAIN A AND RESID 107:157 )A107 - 157
17X-RAY DIFFRACTION17( CHAIN A AND RESID 158:195 )A158 - 195
18X-RAY DIFFRACTION18( CHAIN A AND RESID 196:216 )A196 - 216
19X-RAY DIFFRACTION19( CHAIN A AND RESID 217:231 )A217 - 231
20X-RAY DIFFRACTION20( CHAIN B AND RESID 15:21 )B15 - 21
21X-RAY DIFFRACTION21( CHAIN B AND RESID 22:93 )B22 - 93
22X-RAY DIFFRACTION22( CHAIN B AND RESID 94:98 )B94 - 98
23X-RAY DIFFRACTION23( CHAIN C AND RESID 19:48 )C19 - 48
24X-RAY DIFFRACTION24( CHAIN C AND RESID 49:90 )C49 - 90
25X-RAY DIFFRACTION25( CHAIN C AND RESID 91:106 )C91 - 106
26X-RAY DIFFRACTION26( CHAIN C AND RESID 107:175 )C107 - 175
27X-RAY DIFFRACTION27( CHAIN C AND RESID 176:186 )C176 - 186
28X-RAY DIFFRACTION28( CHAIN C AND RESID 187:207 )C187 - 207
29X-RAY DIFFRACTION29( CHAIN C AND RESID 208:232 )C208 - 232
30X-RAY DIFFRACTION30( CHAIN D AND RESID 15:21 )D15 - 21
31X-RAY DIFFRACTION31( CHAIN D AND RESID 22:34 )D22 - 34
32X-RAY DIFFRACTION32( CHAIN D AND RESID 35:44 )D35 - 44
33X-RAY DIFFRACTION33( CHAIN D AND RESID 45:99 )D45 - 99
34X-RAY DIFFRACTION34( CHAIN E AND RESID 19:48 )E19 - 48
35X-RAY DIFFRACTION35( CHAIN E AND RESID 49:73 )E49 - 73
36X-RAY DIFFRACTION36( CHAIN E AND RESID 74:90 )E74 - 90
37X-RAY DIFFRACTION37( CHAIN E AND RESID 91:106 )E91 - 106
38X-RAY DIFFRACTION38( CHAIN E AND RESID 107:156 )E107 - 156
39X-RAY DIFFRACTION39( CHAIN E AND RESID 157:176 )E157 - 176
40X-RAY DIFFRACTION40( CHAIN E AND RESID 177:208 )E177 - 208
41X-RAY DIFFRACTION41( CHAIN E AND RESID 209:220 )E209 - 220
42X-RAY DIFFRACTION42( CHAIN E AND RESID 221:231 )E221 - 231
43X-RAY DIFFRACTION43( CHAIN F AND RESID 16:21 )F16 - 21
44X-RAY DIFFRACTION44( CHAIN F AND RESID 22:34 )F22 - 34
45X-RAY DIFFRACTION45( CHAIN F AND RESID 35:52 )F35 - 52
46X-RAY DIFFRACTION46( CHAIN F AND RESID 53:98 )F53 - 98
47X-RAY DIFFRACTION47( CHAIN G AND RESID 19:90 )G19 - 90
48X-RAY DIFFRACTION48( CHAIN G AND RESID 91:106 )G91 - 106
49X-RAY DIFFRACTION49( CHAIN G AND RESID 107:156 )G107 - 156
50X-RAY DIFFRACTION50( CHAIN G AND RESID 157:199 )G157 - 199
51X-RAY DIFFRACTION51( CHAIN G AND RESID 200:231 )G200 - 231
52X-RAY DIFFRACTION52( CHAIN H AND RESID 16:35 )H16 - 35
53X-RAY DIFFRACTION53( CHAIN H AND RESID 36:65 )H36 - 65
54X-RAY DIFFRACTION54( CHAIN H AND RESID 66:82 )H66 - 82
55X-RAY DIFFRACTION55( CHAIN H AND RESID 83:102 )H83 - 102
56X-RAY DIFFRACTION56( CHAIN I AND RESID 20:23 )I20 - 23
57X-RAY DIFFRACTION57( CHAIN I AND RESID 24:73 )I24 - 73
58X-RAY DIFFRACTION58( CHAIN I AND RESID 74:106 )I74 - 106
59X-RAY DIFFRACTION59( CHAIN I AND RESID 107:157 )I107 - 157
60X-RAY DIFFRACTION60( CHAIN I AND RESID 158:175 )I158 - 175
61X-RAY DIFFRACTION61( CHAIN I AND RESID 176:195 )I176 - 195
62X-RAY DIFFRACTION62( CHAIN I AND RESID 196:216 )I196 - 216
63X-RAY DIFFRACTION63( CHAIN I AND RESID 217:231 )I217 - 231
64X-RAY DIFFRACTION64( CHAIN J AND RESID 15:21 )J15 - 21
65X-RAY DIFFRACTION65( CHAIN J AND RESID 22:34 )J22 - 34
66X-RAY DIFFRACTION66( CHAIN J AND RESID 35:82 )J35 - 82
67X-RAY DIFFRACTION67( CHAIN J AND RESID 83:95 )J83 - 95
68X-RAY DIFFRACTION68( CHAIN K AND RESID 19:23 )K19 - 23
69X-RAY DIFFRACTION69( CHAIN K AND RESID 24:50 )K24 - 50

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