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- PDB-6yar: Crystal structure of a Selenium-derivatized complex of the bacter... -

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Basic information

Entry
Database: PDB / ID: 6yar
TitleCrystal structure of a Selenium-derivatized complex of the bacterial cellulose secretion regulators BcsR and BcsQ, crystallized in the presence of AppCp
Components
  • Bacterial cellulose secretion regulator BcsQ
  • Bacterial cellulose secretion regulator BcsR
KeywordsSIGNALING PROTEIN / Bacterial biofilms / Bacterial cellulose / Bacterial secretion system / ATP binding protein
Function / homology
Function and homology information


bacterial cellulose biosynthetic process / cell division / ATP binding / cytoplasm
Similarity search - Function
Protein YhjR / Cellulose biosynthesis protein BcsR-like / Cellulose synthase operon protein BcsQ / Cellulose biosynthesis protein BcsQ / : / P-loop containing nucleoside triphosphate hydrolase
Similarity search - Domain/homology
ADENOSINE-5'-TRIPHOSPHATE / Cell division protein / Cellulose biosynthesis protein BcsR / Protein YhjR / Cellulose biosynthesis protein BcsQ
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.9 Å
AuthorsCaleechurn, M. / Abidi, W. / Zouhir, S. / Roche, S. / Krasteva, P.V.
Funding support5items
OrganizationGrant numberCountry
ATIP-Avenir
European Research Council (ERC)BioMatrix, ERC StG #757507
Centre National de la Recherche Scientifique (CNRS)
Institute for Integrative Biology of the Cell (I2BC)
European Institute of Chemistry and Biology (IECB)
CitationJournal: Sci Adv / Year: 2021
Title: Architecture and regulation of an enterobacterial cellulose secretion system.
Authors: Wiem Abidi / Samira Zouhir / Meryem Caleechurn / Stéphane Roche / Petya Violinova Krasteva /
Abstract: Many free-living and pathogenic enterobacteria secrete biofilm-promoting cellulose using a multicomponent, envelope-embedded Bcs secretion system under the control of intracellular second messenger c- ...Many free-living and pathogenic enterobacteria secrete biofilm-promoting cellulose using a multicomponent, envelope-embedded Bcs secretion system under the control of intracellular second messenger c-di-GMP. The molecular understanding of system assembly and cellulose secretion has been largely limited to the crystallographic studies of a distantly homologous BcsAB synthase tandem and a low-resolution reconstruction of an assembled macrocomplex that encompasses most of the inner membrane and cytosolic subunits and features an atypical layered architecture. Here, we present cryo-EM structures of the assembled Bcs macrocomplex, as well as multiple crystallographic snapshots of regulatory Bcs subcomplexes. The structural and functional data uncover the mechanism of asymmetric secretion system assembly and periplasmic crown polymerization and reveal unexpected subunit stoichiometry, multisite c-di-GMP recognition, and ATP-dependent regulation.
History
DepositionMar 12, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Feb 24, 2021Provider: repository / Type: Initial release
Revision 1.1Oct 16, 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 / _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Bacterial cellulose secretion regulator BcsQ
B: Bacterial cellulose secretion regulator BcsQ
C: Bacterial cellulose secretion regulator BcsR
D: Bacterial cellulose secretion regulator BcsR
hetero molecules


Theoretical massNumber of molelcules
Total (without water)74,1628
Polymers73,0994
Non-polymers1,0634
Water1,928107
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: light scattering, SEC-MALS measurements confirmed the existence of a stable and monodisperse BcsR2Q2 heterotetramer in solution.
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10560 Å2
ΔGint-80 kcal/mol
Surface area19880 Å2
MethodPISA
Unit cell
Length a, b, c (Å)56.120, 78.430, 65.220
Angle α, β, γ (deg.)90.000, 97.409, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z

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Components

#1: Protein Bacterial cellulose secretion regulator BcsQ / Cellulose biosynthesis protein BcsQ / Cellulose synthase operon protein YhjQ / Cellulose synthase / putative


Mass: 29479.682 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Details: The coding region corresponding to the BcsRQ tandem was cloned into the pET21b expression vector with a C-terminal hexahistidine Tag on BcsQ. The purified selenium derivated BcsRQ complex ...Details: The coding region corresponding to the BcsRQ tandem was cloned into the pET21b expression vector with a C-terminal hexahistidine Tag on BcsQ. The purified selenium derivated BcsRQ complex was treated with EDTA and incubated with AppCp and MgCl2 prior to crystallization.
Source: (gene. exp.) Escherichia coli (E. coli)
Gene: bcsQ, yhjQ, A8C65_00290, ACU57_05335, BMT91_17060, BON75_10030, BvCmsHHP019_01723, BvCmsSINP011_05061, C2U48_15650, D3O91_11725, D9H68_14440, D9I18_15755, D9I97_13990, DAH34_22885, DAH37_19450, ...Gene: bcsQ, yhjQ, A8C65_00290, ACU57_05335, BMT91_17060, BON75_10030, BvCmsHHP019_01723, BvCmsSINP011_05061, C2U48_15650, D3O91_11725, D9H68_14440, D9I18_15755, D9I97_13990, DAH34_22885, DAH37_19450, E2127_16420, E2128_18010, E2129_18145, E2134_17810, EAI42_04085, EC1094V2_71, NCTC10429_00778, NCTC11022_03734, NCTC9058_01652
Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A0B1KWQ0, UniProt: P0DP92*PLUS
#2: Protein Bacterial cellulose secretion regulator BcsR / FIG004405: Putative cytoplasmic protein / Protein YhjR / Protein of uncharacterized function (DUF2629)


Mass: 7069.771 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Details: The coding region corresponding to the BcsRQ tandem was cloned into the pET21b expression vector with a C-terminal hexahistidine Tag on BcsQ. The purified selenium derivated BcsRQ complex ...Details: The coding region corresponding to the BcsRQ tandem was cloned into the pET21b expression vector with a C-terminal hexahistidine Tag on BcsQ. The purified selenium derivated BcsRQ complex was treated with EDTA and incubated with AppCp and MgCl2 prior to crystallization.
Source: (gene. exp.) Escherichia coli (E. coli)
Gene: yhjR, A6V01_14365, A8C65_00295, A9R57_18690, AC789_1c39040, ACN002_3620, ACN68_06780, ACN81_08775, ACU57_05330, ACU90_15155, AM270_16530, AM464_10395, AMK83_17075, AML07_15400, APZ14_14840, ...Gene: yhjR, A6V01_14365, A8C65_00295, A9R57_18690, AC789_1c39040, ACN002_3620, ACN68_06780, ACN81_08775, ACU57_05330, ACU90_15155, AM270_16530, AM464_10395, AMK83_17075, AML07_15400, APZ14_14840, AUQ13_21010, AUS26_05355, AW106_19925, BANRA_02188, BANRA_03431, BANRA_04333, BANRA_04566, BB545_03705, BHS81_21135, BHS87_19835, BJJ90_00965, BK292_24575, BMT91_17065, BN17_34711, BOH76_20305, BON63_23095, BON69_12460, BON71_17720, BON72_13310, BON76_21180, BON94_21140, BON95_21275, BTQ06_14355, BUE81_10045, BvCms12BK_03867, BvCms2454_00062, BvCms28BK_00015, BvCmsHHP001_04915, BvCmsHHP019_01722, BvCmsHHP056_04702, BvCmsKKP036_02918, BvCmsKKP061_02263, BvCmsKSNP073_03410, BvCmsKSNP081_04400, BvCmsKSP011_02716, BvCmsKSP024_02867, BvCmsKSP026_02341, BvCmsKSP045_00352, BvCmsKSP067_01939, BvCmsNSNP036_04602, BvCmsNSP006_05307, BvCmsNSP047_03956, BvCmsNSP072_04054, BvCmsOUP014_03413, BvCmsSINP011_05062, BvCmsSIP019_02407, BvCmsSIP044_03516, BVL39_08345, BW690_01625, BZL31_14290, C2U48_15645, C5N07_21610, C5P01_24180, C6669_10230, C7235_01450, C7B02_19840, C9098_17010, C9114_22000, C9141_22075, C9160_22970, C9162_26275, C9182_22470, C9201_19395, C9306_17625, C9E25_16190, C9Z03_00095, C9Z28_19620, C9Z37_15395, C9Z39_13945, C9Z69_16745, C9Z89_13935, CA593_08480, CI641_010930, COD30_23820, COD46_13475, CR538_01230, CRD98_22705, CRM83_21580, CWS33_18425, D0X26_22825, D2184_20785, D2185_17650, D3821_09240, D3Y67_04435, D6T60_22230, D9D20_19605, D9E35_13135, D9H68_14435, D9I18_15750, D9I97_13985, D9J11_18915, D9J44_18935, D9K48_10615, D9K54_10550, DAH18_11545, DAH30_06135, DAH32_17855, DAH34_22880, DAH37_19445, DBQ99_02170, DEN89_25155, DEN97_17470, DEO04_20390, DEO19_17140, DIV22_07035, DJ503_16110, DL545_01700, DL800_25095, DP277_20930, DQF57_09495, DQO13_19235, DS732_25515, DTL43_22125, DXT69_13975, DXT71_18500, DXT73_16115, E0I42_16815, E0J34_09730, E0K84_22700, E2119_10885, E2127_16425, E2128_18015, E2129_18150, E2134_17815, E2135_13675, E2855_04489, E2863_04566, E3B71_14240, E5P22_13630, E5P28_15170, E5P37_17785, E5S35_16770, E5S47_16125, EAI42_04080, EC1094V2_70, EC3234A_62c00180, EC3426_04694, EC95NR1_02922, ED600_16775, EEP23_03690, EHH55_25990, EJC75_16880, EKI52_16535, EL75_0168, EL79_0179, EL80_0171, ELT20_13340, ELV08_08625, EPT01_13645, EQ825_24275, ERS085365_03384, ERS085374_03939, ERS085379_03461, ERS085416_01810, ERS139211_03246, EXX13_15900, EXX71_20125, EXX78_22145, EYD11_00910, EYY78_10840, F0312_08835, F1E03_18480, F1E19_10145, F7F23_20655, F7F29_18335, FORC82_0211, FQ915_11140, FQR64_01380, FRV13_18835, FTV90_03830, FTV92_19380, FV293_20875, FWK02_16270, FY127_16255, HW43_22525, NCTC10090_03288, NCTC10418_00365, NCTC10429_00777, NCTC10865_00350, NCTC11022_03735, NCTC11126_00353, NCTC11181_02507, NCTC11341_02195, NCTC13148_03788, NCTC8009_01140, NCTC8179_05669, NCTC8500_00017, NCTC8960_02842, NCTC8985_04684, NCTC9045_00297, NCTC9055_02150, NCTC9058_01653, NCTC9062_02927, NCTC9111_00632, NCTC9703_04725, NCTC9706_02488, PGD_04560, PU06_03455, RG28_22775, RK56_020175, RX35_03299, SAMEA3472043_03895, SAMEA3472055_04880, SAMEA3472070_03765, SAMEA3472114_02155, SAMEA3484427_00198, SAMEA3484429_02974, SAMEA3752553_00829, SAMEA3752557_03916, SAMEA3752559_00583, SAMEA3753064_01978, SAMEA3753290_02280, SAMEA3753300_03978, SK85_03853, UN86_19365, WQ89_12680, WR15_14750
Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: J7QAC9, UniProt: P0ADJ3*PLUS
#3: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical ChemComp-ATP / ADENOSINE-5'-TRIPHOSPHATE


Mass: 507.181 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C10H16N5O13P3 / Feature type: SUBJECT OF INVESTIGATION / Comment: ATP, energy-carrying molecule*YM
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 107 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY
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: 1.95 Å3/Da / Density % sol: 36.83 %
Crystal growTemperature: 277.15 K / Method: vapor diffusion, hanging drop / Details: PEG 2000, MES pH6.5, glycerol

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID30B / Wavelength: 0.97931 Å
DetectorType: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Mar 6, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97931 Å / Relative weight: 1
ReflectionResolution: 1.9→50 Å / Num. obs: 81355 / % possible obs: 93.3 % / Redundancy: 5.16 % / Biso Wilson estimate: 33.98 Å2 / CC1/2: 0.999 / Net I/σ(I): 10.34
Reflection shellResolution: 1.9→2.01 Å / Redundancy: 3.6 % / Mean I/σ(I) obs: 0.99 / Num. unique obs: 10020 / CC1/2: 0.652 / % possible all: 71

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Processing

Software
NameVersionClassification
PHENIX1.17rc2_3619refinement
Cootmodel building
PHASERphasing
SHELXDEphasing
XDSdata scaling
XDSdata processing
XDSdata reduction
RefinementMethod to determine structure: SAD / Resolution: 1.9→45.16 Å / SU ML: 0.2495 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 31.8249
RfactorNum. reflection% reflection
Rfree0.2176 2030 4.88 %
Rwork0.1779 --
obs0.1798 41620 93.76 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 51.68 Å2
Refinement stepCycle: LAST / Resolution: 1.9→45.16 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4277 0 64 107 4448
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00634485
X-RAY DIFFRACTIONf_angle_d0.78416119
X-RAY DIFFRACTIONf_chiral_restr0.0458685
X-RAY DIFFRACTIONf_plane_restr0.0043818
X-RAY DIFFRACTIONf_dihedral_angle_d12.82132687
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.9-1.940.4425880.46391839X-RAY DIFFRACTION65.63
1.94-1.990.45691060.37462122X-RAY DIFFRACTION75.42
1.99-2.040.34621220.30712373X-RAY DIFFRACTION84.43
2.04-2.10.31371390.26012623X-RAY DIFFRACTION93.41
2.1-2.170.23931260.23522774X-RAY DIFFRACTION98.41
2.17-2.250.32091470.21472761X-RAY DIFFRACTION98.78
2.25-2.340.25961540.20212759X-RAY DIFFRACTION98.71
2.34-2.450.1971610.1762739X-RAY DIFFRACTION98.57
2.45-2.580.22771570.16532735X-RAY DIFFRACTION99.04
2.58-2.740.20651320.16412814X-RAY DIFFRACTION99.06
2.74-2.950.22711380.15982793X-RAY DIFFRACTION98.79
2.95-3.250.26481440.16892785X-RAY DIFFRACTION99.09
3.25-3.710.20681490.1572800X-RAY DIFFRACTION99.03
3.72-4.680.16681480.1482806X-RAY DIFFRACTION99.13
4.68-45.160.17361190.16562867X-RAY DIFFRACTION98.65
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)
10.8168026558840.285123555687-0.2876751365940.707362948488-0.001910120592780.447853253277-0.0355605213844-0.182589539073-0.07904402923840.5198007799560.136432248095-0.265838311991-0.0212821207728-0.1098961837425.9085696597E-50.5638159492190.0311596041735-0.07047297622790.4493441941310.05466796415640.388800804037-12.18873501-18.7079172088-1.52411762196
20.6870694180310.341843019201-0.6141411984670.212457360299-0.2601433257960.55211852268-0.0501400369051-0.5992176934910.1120287789281.42754499049-0.0737289181047-0.43629272024-0.270034285226-0.4695721094840.0007404982479311.118441083780.0359820377033-0.1459023321340.697675436584-0.04178924291150.438526294855-14.4374520517-12.242069843511.1060503059
30.633873195674-0.0326617083362-0.06964822012230.09328858465060.2717367274710.741729881659-0.208897628419-0.1492971787020.1104052364260.654369158640.09342359560230.172539713074-0.363688550062-0.0489246412132-0.0001444660090680.9367431352190.0395534195014-0.1330078275170.5275482167390.001809204009030.523826400968-16.4933303191-5.251833206152.58105063202
40.8273580702110.301870049249-0.5175077994050.169816003255-0.2637676134370.405909194666-0.0561975209683-0.291595889221-0.07250885714921.015624389040.142786526113-0.290729490846-0.169980400242-0.0447703300372-3.07721210336E-50.819848801660.0439040957542-0.2478746854270.4545015927420.01416017256950.501001537458-2.48792891836-14.35725906126.5995534446
50.290850095932-0.0728962791349-0.2623138677150.163785262913-0.00789797819740.2242033334680.138473134238-0.4981233416490.1259160792520.530677079957-0.0291660959408-0.282755647371-0.6440491013620.0842056598763-0.0004456327257490.8732766737970.0157595275819-0.2182105218850.4336947030160.008946731769130.612961646232-4.58094108606-4.14163423619-2.97884444231
60.234969413327-0.4966169043460.4588196255520.838251206056-1.157996336711.595156531080.17712894840.143820674576-0.1331311020660.25931305686-0.0125873947289-0.6549672163030.3582193958240.2923486800930.004960888481070.2816116864810.04115205501210.02692584049350.41566909973-0.01613300408510.425257559549-3.28806809751-15.2038118091-20.9696204875
70.318523248824-0.306148705647-0.3370229135410.3082173811310.1275168011320.8257777150340.164377960444-0.2240555038630.1262578888050.36891093528-0.047512557508-0.2564391258670.1163594370180.125006338308-0.0003565335805020.5399395088380.0634100078473-0.1133856089120.481353798448-0.02791148316650.687596913083-1.91002477944-21.9842823269-18.0795627616
80.0359835589109-0.08039592714470.03574259506170.531089504585-0.001670801270240.7991317187060.113078618746-0.0978105988188-0.424516929760.4690664538210.0219845555784-0.1687521585020.484477174093-0.00472568514255-0.009116091879730.5573836151930.0526215651802-0.1683694777320.4064847638630.03307197532120.556103396571-8.49051455478-27.2705562199-8.10412829552
90.5310410447220.439739234399-0.1877819631751.10714420967-0.1701504510090.742691531317-0.1798321426410.008912070778160.11930013448-0.0475194864484-0.007960046866720.0934805580417-0.2449436513110.05772193157484.49229353391E-50.302800382498-0.005848127881390.0116555497460.3363475903270.01762088731270.355257477511-17.04713816161.6211338872-28.0182432555
100.786883424539-0.279850471724-0.1717213274950.7162338956110.9000004186312.04104303341-0.2924702808530.04087654904660.3794001677280.114061742319-0.262114863424-0.323644044206-0.8323542596040.030468795005-0.1082210458880.584871814979-0.103936039537-0.1160165266010.3511154912960.05696586621080.503105187832-10.656985995614.3642515607-27.2202239214
110.1903200814540.2018639237530.2806493367121.10203488436-0.0378377814180.371782579788-0.1354191326540.06088250434510.104284200780.301934136841-0.0386893324745-0.393712797968-0.349225025910.0235298198439-0.000309040911650.536894925659-0.0240857746207-0.1509885772680.363381628495-0.01041201194780.484576721289-8.499443154047.76257291755-18.3978699799
121.04138883089-0.530004548334-0.8059376311160.4065194001520.1284666891510.68719178011-0.190304095665-0.104971679860.06429102298820.3958402784650.2163411261560.0252194364389-0.207893350607-0.00939451295798-8.40778646957E-50.4315697010990.0184657264652-0.003947865084440.343013110903-0.002106789151090.400750184369-23.32659178413.1121991051-24.7750432163
130.2549230394390.0274038029222-0.1438163148770.0438808499011-0.07496235572120.149079977799-0.384648701041-0.689646216940.7299289268361.50890212127-0.0635789722974-0.100058752526-1.51274987372-0.2548225401650.001599648478460.8736201218230.0365587332893-0.04308209646610.570614555381-0.01452181186460.494554893061-20.73491799326.61248948469-12.8270041099
140.9664187892270.3419297406610.1800286931660.238241013505-0.03355874944091.1194558070.0901750273185-0.1117691050980.0281696937847-0.1602308152310.09528734249250.2588449733240.0783684966081-0.2497780843190.008477613370850.2805630303570.004839573415890.1107634375210.4181976906040.03118009659160.372003081606-26.8991006256-9.44390860619-16.4328953347
150.606133846053-0.195232109649-0.05777086588070.426084501627-0.5691678037620.6530022821640.01221910653790.004580157195180.105780088393-0.2317974962660.1812321529790.4517214997560.203312877381-0.2491949907770.0007740307075750.31294819471-0.06515308500450.06364577918030.471538127150.03727168735290.487764568867-31.7225064496-16.0926156113-19.9499519563
160.237769411924-0.1112682946590.1331616079081.21320926563-1.00116989520.941046252491-0.140464119668-0.0952722973414-0.0189424617474-0.3738191628830.2016273818650.2547156897980.1906753297050.06802692030578.61997919212E-60.389050209204-0.033425186783-0.03799697452760.348802068765-0.002263656110140.401686642561-23.4570727726-7.23241836879-34.1308036448
170.012964061094-0.0501535722935-0.06087979845520.1871980274250.2157843791720.2672657917320.00962541476263-1.002563107011.246971975120.145494212557-0.3561719943020.748549948713-0.791484300367-0.0211753993240.001261626204260.8204652074530.108025193219-0.03122785219040.870736448039-0.008419620098010.938625178032-34.7382445235-7.14517174385-8.30204427307
180.001727014022530.005004465164470.0084436780440.02503088349810.022114104780.018832686498-0.165126114945-0.0703532204782-0.379171102241-0.01546837896160.411650282364-0.000781006459006-0.215671607836-0.3525349186860.0007663361916351.12394758295-0.248334835487-0.1585529067261.19596084150.3264381676421.5584779673-43.4633795857-21.2613539967-11.1423374339
190.892609156751-1.044226647730.7246134933811.35271041559-0.6175258712561.3263187317-0.12973313443-0.833011300562-1.072848979130.2919831722390.1691992294270.8157379926841.05799256193-0.8032164962010.4684814376140.468548328601-0.1864638488540.2082638195150.7110685143470.06749786873040.537554870221-33.0550984642-25.3217576614-8.15813863551
200.4891471083170.447310821916-0.136170156590.965773218118-0.2515743087580.786790722962-0.1596950809240.2385884271850.6670428603450.393163511897-0.09519582423-0.9499525338390.3286497420950.838414326716-0.1325488932510.6542926425710.0885777892906-0.04518719625580.808708937883-0.1078589652430.8322353128323.56362114652-12.4891372092-29.4084132901
210.06306092957930.0222230086013-0.05631255037130.03226499458640.0233655858160.07019901456360.1163911320960.3191462169620.132572907656-0.7867259231240.0562002386785-0.672702890497-0.04103920392520.09142630294940.0004283710476910.517743622107-0.01630585933060.1418715701410.5162107086240.02217488412960.548253281711-1.31989305244-7.51008634691-33.9654470755
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 2 through 59 )
2X-RAY DIFFRACTION2chain 'A' and (resid 60 through 76 )
3X-RAY DIFFRACTION3chain 'A' and (resid 77 through 102 )
4X-RAY DIFFRACTION4chain 'A' and (resid 103 through 125 )
5X-RAY DIFFRACTION5chain 'A' and (resid 126 through 139 )
6X-RAY DIFFRACTION6chain 'A' and (resid 140 through 190 )
7X-RAY DIFFRACTION7chain 'A' and (resid 191 through 202 )
8X-RAY DIFFRACTION8chain 'A' and (resid 203 through 243 )
9X-RAY DIFFRACTION9chain 'B' and (resid 2 through 59 )
10X-RAY DIFFRACTION10chain 'B' and (resid 60 through 76 )
11X-RAY DIFFRACTION11chain 'B' and (resid 77 through 102 )
12X-RAY DIFFRACTION12chain 'B' and (resid 103 through 125 )
13X-RAY DIFFRACTION13chain 'B' and (resid 126 through 139 )
14X-RAY DIFFRACTION14chain 'B' and (resid 140 through 177 )
15X-RAY DIFFRACTION15chain 'B' and (resid 178 through 202 )
16X-RAY DIFFRACTION16chain 'B' and (resid 203 through 241 )
17X-RAY DIFFRACTION17chain 'C' and (resid 29 through 36 )
18X-RAY DIFFRACTION18chain 'C' and (resid 37 through 42 )
19X-RAY DIFFRACTION19chain 'C' and (resid 43 through 60 )
20X-RAY DIFFRACTION20chain 'D' and (resid 29 through 51 )
21X-RAY DIFFRACTION21chain 'D' and (resid 52 through 60 )

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