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- PDB-6yb3: Crystal structure of a native BcsRQ complex purified and crystall... -

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Basic information

Entry
Database: PDB / ID: 6yb3
TitleCrystal structure of a native BcsRQ complex purified and crystallized in the absence of nucleotide
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 / negative regulation of cell division / cytoplasmic side of plasma membrane / cell division / ATP hydrolysis activity / ATP binding / cytosol / cytoplasm
Similarity search - Function
Protein YhjR / Cellulose biosynthesis protein BcsR-like / Cellulose synthase operon protein BcsQ / Cellulose biosynthesis protein BcsQ / : / P-loop containing nucleotide triphosphate hydrolases / P-loop containing nucleoside triphosphate hydrolase / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
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 / MOLECULAR REPLACEMENT / Resolution: 1.59 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 15, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Feb 24, 2021Provider: repository / Type: Initial release
Revision 1.1Jan 24, 2024Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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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)73,5998
Polymers72,5364
Non-polymers1,0634
Water3,891216
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 area12580 Å2
ΔGint-90 kcal/mol
Surface area20620 Å2
MethodPISA
Unit cell
Length a, b, c (Å)57.000, 78.990, 66.820
Angle α, β, γ (deg.)90.000, 99.258, 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: 29245.209 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Details: Bacterial cellulose synthesis subunit Q. The coding region corresponding to the BcsRQ tandem was cloned into the pET21b expression vector with a C-terminal hexahistidine tag on BcsQ. The ...Details: Bacterial cellulose synthesis subunit Q. The coding region corresponding to the BcsRQ tandem was cloned into the pET21b expression vector with a C-terminal hexahistidine tag on BcsQ. The protein complex was purified and crystallised in absence of nucleotide
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: 7022.876 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Details: Bacterial cellulose synthesis subunit R / 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.: 216 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY

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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: 2.05 Å3/Da / Density % sol: 39.91 %
Crystal growTemperature: 277.15 K / Method: vapor diffusion, hanging drop
Details: 15-22% PEG 2000, 100 mM MES or Bis-Tris with pH 5.5-6.5 and 0-7% glycerol or xylitol

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 1 / Wavelength: 0.97934 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Apr 1, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97934 Å / Relative weight: 1
ReflectionResolution: 1.59→50 Å / Num. obs: 74677 / % possible obs: 95.7 % / Redundancy: 3.84 % / Biso Wilson estimate: 26.41 Å2 / CC1/2: 0.998 / Net I/σ(I): 11.46
Reflection shellResolution: 1.59→1.69 Å / Redundancy: 2.7 % / Mean I/σ(I) obs: 0.87 / Num. unique obs: 10322 / CC1/2: 0.534 / % possible all: 82.4

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Processing

Software
NameVersionClassification
PHENIX1.17rc2_3619refinement
PHASERphasing
XDSdata reduction
XDSdata scaling
XDSdata processing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6YAR

6yar


Resolution: 1.59→46.67 Å / SU ML: 0.2408 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 31.2219
RfactorNum. reflection% reflection
Rfree0.2092 3725 5 %
Rwork0.1854 --
obs0.1866 74483 95.66 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 45.43 Å2
Refinement stepCycle: LAST / Resolution: 1.59→46.67 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4482 0 64 216 4762
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00584765
X-RAY DIFFRACTIONf_angle_d0.8086514
X-RAY DIFFRACTIONf_chiral_restr0.0504731
X-RAY DIFFRACTIONf_plane_restr0.0045873
X-RAY DIFFRACTIONf_dihedral_angle_d12.89822854
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.59-1.610.537830.55721576X-RAY DIFFRACTION57.93
1.61-1.640.51331210.51282219X-RAY DIFFRACTION81.79
1.64-1.660.52831230.46682407X-RAY DIFFRACTION88.55
1.66-1.680.4571400.43512642X-RAY DIFFRACTION95.57
1.68-1.710.39751400.37252645X-RAY DIFFRACTION97.93
1.71-1.730.38031410.35932673X-RAY DIFFRACTION97.74
1.73-1.760.35341410.32632690X-RAY DIFFRACTION98.64
1.76-1.790.321430.30162681X-RAY DIFFRACTION98.33
1.79-1.830.28721430.29132696X-RAY DIFFRACTION98.85
1.83-1.860.33071410.26212666X-RAY DIFFRACTION98.32
1.86-1.90.27481420.23462720X-RAY DIFFRACTION98.49
1.9-1.940.24281380.21272661X-RAY DIFFRACTION98
1.94-1.980.21731420.18222711X-RAY DIFFRACTION98.72
1.98-2.030.19821430.18032689X-RAY DIFFRACTION98.3
2.03-2.090.19321420.17112686X-RAY DIFFRACTION98.26
2.09-2.150.21181410.17032668X-RAY DIFFRACTION98.32
2.15-2.220.20111420.17232702X-RAY DIFFRACTION97.97
2.22-2.30.18761410.16992689X-RAY DIFFRACTION98.16
2.3-2.390.20191420.16832710X-RAY DIFFRACTION98.72
2.39-2.50.25731420.1752672X-RAY DIFFRACTION97.95
2.5-2.630.20071430.17332713X-RAY DIFFRACTION98.82
2.63-2.80.20491430.17112699X-RAY DIFFRACTION98.24
2.8-3.010.19231430.17422687X-RAY DIFFRACTION98.26
3.01-3.320.21451420.17322716X-RAY DIFFRACTION98.48
3.32-3.80.18351400.14832709X-RAY DIFFRACTION97.87
3.8-4.780.13641400.14272696X-RAY DIFFRACTION97.19
4.78-46.670.1871430.17552735X-RAY DIFFRACTION97.1
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)
10.3365494648340.121284783128-0.2757075614280.913128231555-0.6632274670.934397978991-0.04754331725990.04854319332030.0349454384305-0.5864674108760.148637587860.2548070128490.09572370926840.001251606973110.0005234485350550.304044732624-0.0241819708905-0.0258914927670.2918933618790.008009264539180.325008990704-0.299403189342-3.86940531498-1.45244363205
20.03191118492850.000842304072959-0.01792072794660.01171706888780.009336120910550.005536134910590.532288641348-0.483136288335-0.4449989223540.05014083020630.510684080174-0.0342230851323-0.4709880859880.29173571125-0.001736946402251.265064779560.2698097675950.05096099377760.786856525912-0.1220282507411.09952274234-2.7708716107112.129719828126.6159908325
30.0541133467605-0.001426791732340.1301698687880.472061280771-0.3317195159320.133860490735-0.289310179452-0.3103530878180.3124440261770.1331021702630.3570950252470.445823650127-0.547336878555-0.3394484479110.0442783930830.613487572810.06043346163250.06453654143330.5656150391770.04267645758920.685082206097-9.516744113892.3918918935122.8264846787
40.1213380942410.1034479086710.2159642571170.0723954590560.1445387714970.477680073618-0.211249798899-0.666800089128-0.058336464144-0.426245206647-0.1463241817530.9227832883820.14868080974-0.593071951875-0.03029779691610.497494153061-0.1840977373230.05652664228670.5625397969240.04663888256830.873456082233-13.9954145145-24.480109447720.8234864704
50.03908779414080.0356203216396-0.01200124705930.0237044992357-0.003870473725720.007746599548230.106242323179-0.709156713519-0.3414748030670.8084862866790.08298855855360.6158435572820.215548357681-0.794221688819-0.001125429845980.438831017163-0.02288027755980.1104216714640.5899296209780.1320253082230.478514473071-7.53462056471-18.792862099327.9216435514
6-0.02589526879650.00489052692475-0.0219893711072-0.01288665134280.00789335607320.02465711757580.2176001273130.5048693565720.46779353957-0.0111981462007-0.3615059643880.522151975390.00963459259633-0.610846043042-0.0003117360048671.04553228881-0.0326578036087-0.369718667330.909174074611-0.1743565268971.1757330821628.24018704371.1128162612229.8204494592
70.04182836734690.0509817187152-0.08852508255290.121300581011-0.08467543178340.0597692369205-0.103032238921-0.5211279579460.009946660627530.07892641604860.0101611750351-0.6209897014520.4929025681210.291529543256-0.0001317494852920.5510061877460.008128658381340.05799519277490.802651622536-0.03220082318241.0183759407131.1334502935-8.600771737346.78091304545
80.862040995534-0.1277984169810.6116572003790.3674044692710.1303918171140.591491032397-0.2841276570980.6611856095680.412835710139-0.5729674517170.0796923034202-0.434356008420.06702133868190.0341311995075-0.1327475604130.35404050340.006890566173490.1912859031570.4898632661110.002868658677450.40598469444823.1130451872-7.85830827997-3.43970418729
90.8178223447110.05966984229130.4241113689421.15048895991-0.01561474175180.7912037757390.0851797775671-0.0677920491304-0.05851283620070.6506701847810.0256724418575-0.252864124274-0.100955420813-0.14996759140.002127098244750.504224108260.0256037145519-0.04523188560020.3266737179830.02889568454640.2671415545110.7737281908-13.960086058232.3730789543
100.3173447475790.334589937969-0.2395916145310.3248188718510.01213924862140.323807155664-0.122684490658-0.4513344682270.1266754332591.124969636660.0486752579338-0.398125395946-0.13861709066-0.2936348204380.0001593439093770.7430702683890.0408257092095-0.09430935363670.382559132920.03841751507270.3362314654819.71751259572-14.579461260639.7710867102
110.0665855590339-0.0153326224088-0.003877440427420.07065140437870.05098862470380.0347956664133-0.4542179245020.04457726628570.4624240821530.6817587733070.129967563006-0.0748424530162-0.6435991395850.045419651142-1.78275915952E-50.8881391373020.0367438747109-0.06967124854640.47840666398-0.02689937014460.5318144519696.473373573864.6666881367133.0012409524
120.8415216058020.336134285746-0.4077194892080.279634839896-0.3250228755180.501139682878-0.303119082016-0.2745597255870.09427509163751.19103795360.362135673656-0.359998300103-0.310491199003-0.07975957714510.09505916510.8221221524060.0896521718177-0.2891540868610.3290776336660.0002806077129840.44516569391721.2050299853-12.021873622339.1598337865
130.198444349361-0.237599795970.2928771353021.38447102985-1.469478756961.327346803560.06608752990520.153078246972-0.03717366556520.248640839377-0.0725973152506-0.5017439146550.2180124403080.255916064302-0.003172156652650.2781906011830.0344289219181-0.02292326486060.335878415657-0.005520199880690.40022879426420.4197348871-10.160467988815.3856679862
140.116095191141-0.1530253100240.1160903363590.174552648128-0.06939748777670.2753390932670.0844504935288-0.04806742076890.1955400315350.0869938644540.0167414228803-0.08126720338850.2204262898390.148635319885-0.0001650359920130.3596712574080.0742695954095-0.01645258523960.403153470545-0.03835296041240.52884527916121.8860989443-19.289376659213.9858604748
150.641882845545-0.4825245355970.4123824081540.595142959266-0.6145597018841.744402452140.2280993664560.0145258741354-0.1975171075980.469629765585-0.022914765997-0.2508012750410.52764488735-0.0115943467891-0.09521819459760.3913218765890.0539008241416-0.1269693975310.264434923219-0.01974022805390.43025965860915.4502548785-24.741950934124.1306602513
160.726180021047-0.2186508565830.3810527959541.45654099248-0.1864639247611.23810879992-0.1450936759250.0232609700070.1379988618940.03614446802550.0141083906973-0.0268474210035-0.3217842036450.0804244981532-7.02679194819E-50.277263997585-0.0162863672143-0.009155208397220.274916346640.01693947222710.2900846695218.440320539996.013108049925.56362718567
170.3745822208650.4064503843220.1661787276890.933408212806-0.1101956621290.473398459847-0.2582874453480.06975069944520.2015645536980.174564227661-0.0553875179881-0.293653566266-0.6371517654030.227111163323-0.0002570636129670.408848000227-0.031271481146-0.08395054266360.3145043931660.01159540663520.34126840504913.441364541511.76967571519.53536817585
180.528279012682-0.442479600466-0.3325313640730.363900586385-0.1098714644710.295218604926-0.1257528875760.08475031829210.1115920273090.3469159752710.1245319279350.0110163665765-0.2966429311220.100382095998-4.76028005637E-50.4309652367080.0247681276143-0.002658891354890.2910590839830.01929948487750.3397814906810.61825955028116.13965790397.812671453
190.6221651247390.2402235971440.0252058341430.330913695593-0.49210247920.520757464387-0.0605805457162-0.1582229055250.1067241227670.285116250527-0.01279473831960.128977404787-0.32239163018-0.160949388561-3.66895359796E-60.3617268497590.0347753554730.04459321228010.3424623757630.00125428415210.319787922409-0.8835466574450.37619981844618.9660942839
200.23124098676-0.05959862881560.2608841904070.432074619793-0.6883431378771.050841950830.08356939038440.0381921775473-0.0257532330529-0.1777082026130.1162481819940.2136002222020.24385177615-0.2968088344760.1190043051950.212339097542-0.05067789002560.03941091660340.3395060761550.0420783565880.337588572281-6.28716363737-13.620790776211.5825266033
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'B' and (resid 203 through 241 )
2X-RAY DIFFRACTION2chain 'C' and (resid 15 through 20 )
3X-RAY DIFFRACTION3chain 'C' and (resid 21 through 38 )
4X-RAY DIFFRACTION4chain 'C' and (resid 39 through 51 )
5X-RAY DIFFRACTION5chain 'C' and (resid 52 through 61 )
6X-RAY DIFFRACTION6chain 'D' and (resid 15 through 29 )
7X-RAY DIFFRACTION7chain 'D' and (resid 30 through 44 )
8X-RAY DIFFRACTION8chain 'D' and (resid 45 through 60 )
9X-RAY DIFFRACTION9chain 'A' and (resid 2 through 67 )
10X-RAY DIFFRACTION10chain 'A' and (resid 68 through 88 )
11X-RAY DIFFRACTION11chain 'A' and (resid 89 through 102 )
12X-RAY DIFFRACTION12chain 'A' and (resid 103 through 125 )
13X-RAY DIFFRACTION13chain 'A' and (resid 126 through 190 )
14X-RAY DIFFRACTION14chain 'A' and (resid 191 through 202 )
15X-RAY DIFFRACTION15chain 'A' and (resid 203 through 243 )
16X-RAY DIFFRACTION16chain 'B' and (resid 2 through 67 )
17X-RAY DIFFRACTION17chain 'B' and (resid 68 through 102 )
18X-RAY DIFFRACTION18chain 'B' and (resid 103 through 125 )
19X-RAY DIFFRACTION19chain 'B' and (resid 126 through 166 )
20X-RAY DIFFRACTION20chain 'B' and (resid 167 through 202 )

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