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- PDB-7pmq: DEAD-box helicase DbpA in the active conformation bound to a hair... -

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Basic information

Entry
Database: PDB / ID: 7pmq
TitleDEAD-box helicase DbpA in the active conformation bound to a hairpin loop RNA and ADP/BeF3
Components
  • ATP-dependent RNA helicase DbpA
  • RNA (42-MER)
KeywordsRNA BINDING PROTEIN / DEAD-box helicase / RNA / ribosome biogenesis / ATPase
Function / homology
Function and homology information


3'-5' RNA helicase activity / ribosomal large subunit assembly / RNA helicase / hydrolase activity / RNA binding / ATP binding / cytoplasm
Similarity search - Function
ATP-dependent RNA helicase DbpA / DEAD box helicase DbpA/CsdA, RNA-binding domain / DbpA RNA binding domain / : / DEAD-box subfamily ATP-dependent helicases signature. / ATP-dependent RNA helicase DEAD-box, conserved site / DEAD/DEAH box helicase domain / DEAD/DEAH box helicase / Helicase conserved C-terminal domain / helicase superfamily c-terminal domain ...ATP-dependent RNA helicase DbpA / DEAD box helicase DbpA/CsdA, RNA-binding domain / DbpA RNA binding domain / : / DEAD-box subfamily ATP-dependent helicases signature. / ATP-dependent RNA helicase DEAD-box, conserved site / DEAD/DEAH box helicase domain / DEAD/DEAH box helicase / Helicase conserved C-terminal domain / helicase superfamily c-terminal domain / Superfamilies 1 and 2 helicase C-terminal domain profile. / Superfamilies 1 and 2 helicase ATP-binding type-1 domain profile. / DEAD-like helicases superfamily / Helicase, C-terminal / Helicase superfamily 1/2, ATP-binding domain / Nucleotide-binding alpha-beta plait domain superfamily / P-loop containing nucleoside triphosphate hydrolase
Similarity search - Domain/homology
ADENOSINE-5'-DIPHOSPHATE / BERYLLIUM TRIFLUORIDE ION / PHOSPHATE ION / RNA / RNA (> 10) / ATP-dependent RNA helicase DbpA
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.22 Å
AuthorsWurm, J.P.
Funding support1items
OrganizationGrant numberCountry
Other governmentWU 988/1-1
CitationJournal: Rna / Year: 2023
Title: Structural basis for RNA-duplex unwinding by the DEAD-box helicase DbpA.
Authors: Wurm, J.P.
History
DepositionSep 2, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Sep 14, 2022Provider: repository / Type: Initial release
Revision 1.1Sep 20, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / struct_ncs_dom_lim
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 / _struct_ncs_dom_lim.beg_auth_asym_id / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_auth_seq_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_asym_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_auth_seq_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_seq_id
Revision 1.2Jan 31, 2024Group: Refinement description / Category: pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
C: ATP-dependent RNA helicase DbpA
A: ATP-dependent RNA helicase DbpA
B: ATP-dependent RNA helicase DbpA
D: ATP-dependent RNA helicase DbpA
E: RNA (42-MER)
F: RNA (42-MER)
G: RNA (42-MER)
H: RNA (42-MER)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)253,46124
Polymers251,0118
Non-polymers2,45016
Water00
1
C: ATP-dependent RNA helicase DbpA
D: ATP-dependent RNA helicase DbpA
E: RNA (42-MER)
H: RNA (42-MER)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)126,73012
Polymers125,5054
Non-polymers1,2258
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
A: ATP-dependent RNA helicase DbpA
B: ATP-dependent RNA helicase DbpA
F: RNA (42-MER)
G: RNA (42-MER)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)126,73012
Polymers125,5054
Non-polymers1,2258
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)159.644, 159.644, 204.682
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number96
Space group name H-MP43212
Space group name HallP4nw2abw
Symmetry operation#1: x,y,z
#2: -y+1/2,x+1/2,z+3/4
#3: y+1/2,-x+1/2,z+1/4
#4: x+1/2,-y+1/2,-z+1/4
#5: -x+1/2,y+1/2,-z+3/4
#6: -x,-y,z+1/2
#7: y,x,-z
#8: -y,-x,-z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 10 through 60 or resid 75...
d_2ens_1(chain "A" and (resid 10 through 60 or resid 75...
d_3ens_1(chain "B" and (resid 10 through 60 or resid 75...
d_4ens_1(chain "D" and (resid 10 through 60 or resid 75...

NCS domain segments:

Ens-ID: ens_1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11LEULEUGLYGLYCA10 - 6012 - 62
d_12LEULEUGLYGLYCA75 - 8977 - 91
d_13LEULEUGLNGLNCA98 - 110100 - 112
d_14GLNGLNASPASPCA120 - 153122 - 155
d_15PHEPHEPHEPHECA173 - 183175 - 185
d_16ALAALAGLUGLUCA190 - 206192 - 208
d_17LEULEULEULEUCA213 - 261215 - 263
d_18GLYGLYGLUGLUCA265 - 276267 - 278
d_19ARGARGPHEPHECA280 - 344282 - 346
d_110ALAALAASPASPCA380 - 388382 - 390
d_111ILEILEVALVALCA415 - 429417 - 431
d_112ARGARGLEULEUCA452 - 456454 - 458
d_21LEULEUGLYGLYAB10 - 6012 - 62
d_22LEULEUGLYGLYAB75 - 8977 - 91
d_23LEULEUGLNGLNAB98 - 110100 - 112
d_24GLNGLNASPASPAB120 - 153122 - 155
d_25PHEPHEPHEPHEAB173 - 183175 - 185
d_26ALAALAGLUGLUAB190 - 206192 - 208
d_27LEULEULEULEUAB213 - 261215 - 263
d_28GLYGLYGLUGLUAB265 - 276267 - 278
d_29ARGARGPHEPHEAB280 - 344282 - 346
d_210ALAALAASPASPAB380 - 388382 - 390
d_211ILEILEVALVALAB415 - 429417 - 431
d_212ARGARGLEULEUAB452 - 456454 - 458
d_31LEULEUGLYGLYBC10 - 6012 - 62
d_32LEULEUGLYGLYBC75 - 8977 - 91
d_33LEULEUGLNGLNBC98 - 110100 - 112
d_34GLNGLNASPASPBC120 - 153122 - 155
d_35PHEPHEPHEPHEBC173 - 183175 - 185
d_36ALAALAGLUGLUBC190 - 206192 - 208
d_37LEULEULEULEUBC213 - 261215 - 263
d_38GLYGLYGLUGLUBC265 - 276267 - 278
d_39ARGARGPHEPHEBC280 - 344282 - 346
d_310ALAALAASPASPBC380 - 388382 - 390
d_311ILEILEVALVALBC415 - 429417 - 431
d_312ARGARGLEULEUBC452 - 456454 - 458
d_41LEULEUGLYGLYDD10 - 6012 - 62
d_42LEULEUGLYGLYDD75 - 8977 - 91
d_43LEULEUGLNGLNDD98 - 110100 - 112
d_44GLNGLNASPASPDD120 - 153122 - 155
d_45PHEPHEPHEPHEDD173 - 183175 - 185
d_46ALAALAGLUGLUDD190 - 206192 - 208
d_47LEULEULEULEUDD213 - 261215 - 263
d_48GLYGLYGLUGLUDD265 - 276267 - 278
d_49ARGARGPHEPHEDD280 - 344282 - 346
d_410ALAALAASPASPDD380 - 388382 - 390
d_411ILEILEVALVALDD415 - 429417 - 431
d_412ARGARGLEULEUDD452 - 456454 - 458

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Components

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Protein / RNA chain , 2 types, 8 molecules CABDEFGH

#1: Protein
ATP-dependent RNA helicase DbpA


Mass: 49358.754 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli)
Gene: dbpA, A8C65_19820, A9R57_00760, ACU57_03180, AUQ13_15600, BANRA_00847, BANRA_04171, BHS87_08505, BJJ90_11745, BMA87_07955, BMT91_21590, BON75_24465, BUE81_14670, BvCms2454_02704, BvCmsHHP001_ ...Gene: dbpA, A8C65_19820, A9R57_00760, ACU57_03180, AUQ13_15600, BANRA_00847, BANRA_04171, BHS87_08505, BJJ90_11745, BMA87_07955, BMT91_21590, BON75_24465, BUE81_14670, BvCms2454_02704, BvCmsHHP001_02300, BvCmsHHP019_03587, BW690_11350, BZL31_07520, C5F72_14440, C5F73_15055, C5N07_15770, C9E25_22300, CA593_21090, CG692_05575, CI694_17855, D0X26_18530, D2185_21600, D3821_15150, D3O91_18845, D3Y67_16695, D9C99_05435, D9D20_02105, D9G69_18010, D9H68_04755, D9I18_03165, D9J11_06735, D9J52_03565, D9Z28_17890, DAH34_14805, DJ503_15675, DNC98_04485, DT034_18155, E2127_03725, E2128_00120, E2134_01275, E2135_09020, E4K51_14550, E4K53_14175, E4K55_14180, E4K61_06710, E5P28_06285, EA213_25155, EC1094V2_2419, EC3234A_27c00310, ECTO6_02613, EEP23_08150, EG808_15015, EI032_01315, EI041_15270, EIZ93_05985, EPT01_22665, ERS150873_03851, ETECE1441_02540, EYD11_12000, EYV18_14670, FKC84_18670, FORC82_2579, FV293_11225, G5632_15630, G5688_06460, G6Z99_13300, G9P50_11500, GHD50_09530, GKF86_15135, GKF89_14975, GKG12_04280, GP720_20830, GP979_17935, GQE33_11520, GQE34_14030, GQE64_13275, GQE67_23825, GQM17_12000, GRW02_10210, GRW80_12795, HH707_003477, HJV81_000527, HLU13_09435, HMQ05_12610, HVV53_02995, HVX22_12385, HVX24_12180, HVY77_14250, HVY79_10190, HVY93_12730, HVZ24_12305, NCTC11126_00544, NCTC13148_00656, NCTC13216_03945, NCTC9045_03126, NCTC9062_00753, NCTC9706_03606, PGD_01899, RK56_010785, SAMEA3472047_04221, SAMEA3472080_01001, SAMEA3484427_04610, SAMEA3484429_04553, SAMEA3751407_04875, SAMEA3752557_05298, SAMEA3752559_01385, SK85_01554, WP2S18E08_25570, WP4S18E08_24570
Production host: Escherichia coli (E. coli) / Strain (production host): (BL21)DE3 / References: UniProt: W8TF60, RNA helicase
#2: RNA chain
RNA (42-MER)


Mass: 13393.898 Da / Num. of mol.: 4 / Source method: obtained synthetically / Details: synthetic 42mer RNA / Source: (synth.) synthetic construct (others)

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Non-polymers , 4 types, 16 molecules

#3: Chemical
ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE


Mass: 427.201 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C10H15N5O10P2 / Comment: ADP, energy-carrying molecule*YM
#4: Chemical
ChemComp-BEF / BERYLLIUM TRIFLUORIDE ION


Mass: 66.007 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: BeF3
#5: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#6: Chemical
ChemComp-PO4 / PHOSPHATE ION


Mass: 94.971 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: PO4

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Details

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: 2.58 Å3/Da / Density % sol: 52.39 %
Crystal growTemperature: 291 K / Method: vapor diffusion, hanging drop / pH: 8
Details: 200 mM NH4/tartrate 100 mM Tris, pH 8.0 20% (w/v) PEG3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: May 3, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.22→49.42 Å / Num. obs: 43424 / % possible obs: 99.7 % / Redundancy: 13.6 % / Biso Wilson estimate: 88.86 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.245 / Rrim(I) all: 0.255 / Net I/σ(I): 10.7
Reflection shellResolution: 3.22→3.33 Å / Rmerge(I) obs: 1.79 / Mean I/σ(I) obs: 1.42 / Num. unique obs: 4266 / CC1/2: 0.553 / Rrim(I) all: 1.86 / % possible all: 99.65

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Processing

Software
NameVersionClassification
PHENIX1.19.2refinement
PHENIX1.19.2phasing
Cootmodel building
XDSdata reduction
XSCALEdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2DB3 and 3MOJ

2db3

3moj


Resolution: 3.22→49.42 Å / SU ML: 0.4983 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.5612
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflectionSelection details
Rfree0.2636 2172 5.01 %Random
Rwork0.2276 41223 --
obs0.2294 43395 99.76 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 86.14 Å2
Refinement stepCycle: LAST / Resolution: 3.22→49.42 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13797 3568 128 0 17493
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002618113
X-RAY DIFFRACTIONf_angle_d0.58725382
X-RAY DIFFRACTIONf_chiral_restr0.03993109
X-RAY DIFFRACTIONf_plane_restr0.00382660
X-RAY DIFFRACTIONf_dihedral_angle_d15.5387216
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2EX-RAY DIFFRACTIONTorsion NCS0
ens_1d_3EX-RAY DIFFRACTIONTorsion NCS0.509946849177
ens_1d_4EX-RAY DIFFRACTIONTorsion NCS0.466791312744
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.22-3.290.3811320.37242514X-RAY DIFFRACTION99.25
3.29-3.370.36891340.33362529X-RAY DIFFRACTION100
3.37-3.450.40681330.30862543X-RAY DIFFRACTION99.96
3.45-3.540.34741350.30462558X-RAY DIFFRACTION100
3.54-3.650.33691340.29422548X-RAY DIFFRACTION99.96
3.65-3.760.34441340.27262538X-RAY DIFFRACTION99.96
3.76-3.90.28331340.27832547X-RAY DIFFRACTION100
3.9-4.060.29941340.25682554X-RAY DIFFRACTION100
4.06-4.240.23411350.23662558X-RAY DIFFRACTION100
4.24-4.460.21081360.20712577X-RAY DIFFRACTION100
4.46-4.740.24341350.20072578X-RAY DIFFRACTION100
4.74-5.110.25411330.21042532X-RAY DIFFRACTION98.16
5.11-5.620.26441370.21932595X-RAY DIFFRACTION99.93
5.62-6.430.25221380.23062624X-RAY DIFFRACTION100
6.43-8.10.24641400.20362659X-RAY DIFFRACTION99.96
8.1-49.420.20011480.15322769X-RAY DIFFRACTION98.98
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)
10.559292685202-0.0565108156571-0.584731062994-0.0922656645872-0.01456678069230.5742786591131.0747163487-0.425810246981.001341002910.4112774994-0.7738807539661.108461662290.0376316052296-0.1524473754845.6411183536E-71.55743705054-0.2115884569520.3309038586291.3996922488-0.1120189786031.25498219766-14.0778141525-51.9611105278-14.369531637
2-0.0690647735906-2.682962160430.01506569208930.136846294256-0.0166617072298-0.6137715541-0.03610724953660.0507078223466-0.6072090947530.441513761911-0.09808547486150.5322324899730.2505705554620.1323686989713.9437605398E-71.347158842680.1038889491840.2039409669441.10382293839-0.02436828442661.3044677127716.6256215359-42.411196435-71.6532938202
32.09427800636-4.466687443620.2678514169780.664098728809-0.0528967528329-1.74443255757-0.1366292081530.527229818571-1.45320399010.459593750661-0.3898474181041.877187541580.0198830697846-0.7053061990280.006258919351331.350971803320.00359368928179-0.01832685075211.21148103052-0.3310143613211.953396962213.150680645-72.1668027178-96.2076388284
40.6326127666462.924140757030.2604675976621.824090846070.0435389768874-1.44727322153-0.2284362410410.346407000443-0.3638874749630.08364117043770.213188509386-0.614091195125-0.2511867116120.3276249743941.23817676106E-70.94173759364-0.04697124841380.0820397765281.400330352340.2230516214051.26884238989-36.3061834317-60.7799035998-18.8742570517
53.33968156124-0.772637022526-0.5025419389752.068070751370.5252604508232.38195917981-0.07057736962880.236758254493-0.6257528789770.0138044787301-0.03770829633860.1025812736020.231541855447-0.167151457919-1.82099752766E-80.746873880767-0.0357742037513-0.07307324135780.505323405852-0.06493150715840.82907811229637.1126434477-93.5007951625-90.7109673327
61.923629206940.298864226342-0.2294767654551.206781999520.6961732899731.987521072190.228665043971-0.6097330355420.1700442134960.0896974073041-0.269410155599-0.1356000763420.495684361932-0.7269081074159.1767821643E-80.909772251636-0.111331943990.0006543555998970.7743058743950.03493546880010.93705633345619.6105762912-84.5487348464-69.7931727021
73.551307789030.3684000335980.06183841043822.68059656169-0.5588994297082.628390940620.1791445661961.103027236020.415252684066-0.508968978838-0.0622015174623-0.0526525767819-0.06809927858970.106813467280.0005996718421940.9812271464610.08591042941390.1248690573611.649597596440.33686957650.730553643945-45.4290134606-74.4649301773-44.653844419
83.394717215420.6849202733830.3081554194481.444715831250.7186161646351.52297644960.1257095261620.4949722774840.127464488158-0.166218429421-0.04798346302710.0794478485217-0.0638434717118-0.0965839855601-3.85330201901E-90.6641168781090.09038466519530.04666359293670.8258170509320.1883249095930.754488322215-59.1083171176-83.3022618329-22.7848830642
91.980024160420.0714198099981-0.5911446089450.5608478903030.08658421312030.9256045036180.07874913777670.03980369724-0.2217595375330.414709924121-0.0506435500798-0.2458880341030.5116575225151.275735897362.66841053395E-80.8071712861980.1412374757510.02821413786441.38829265350.01597373969990.916658142176-31.5346649206-90.5314823711-18.8152124756
102.33327729080.385450812102-0.1191454046073.54712930993-0.5027124748621.725658931480.154383931317-0.0877996340539-0.170650002089-0.126844573697-0.08051305921050.6834807424790.0134099039587-0.104115815352.57654736172E-90.591540825645-0.02891010417550.01718768006770.742051258333-0.042821091360.846396408323-13.4476383844-35.3357469859-36.8026110152
112.21729355225-0.185334063603-1.339947526644.11195753539-0.8993865956831.981135921920.118172968275-0.1112839834160.100218218196-0.211889350291-0.279430635565-0.5325487518620.1695143940490.320756215304-1.760975447E-80.5428836791620.003131101238520.00944662397980.8674486503880.06491547511390.73441681400513.0783280251-40.3530164473-41.023412054
120.5254287233020.562606433445-0.3044291583321.35463006956-0.5629460820760.7024936440970.728155496654-1.06536285199-0.02262877856771.02310028196-0.6937291319070.005343060035410.3129647036510.376559836482.63592116967E-51.09520977966-0.0792507653433-0.1399696988571.229328297290.151192591220.8822657606115.22470582845-57.0829424338-18.9055340129
132.449590732320.1200891671870.4784163861652.323265424630.1638571499761.8210360237-0.1183328586490.232713060681-0.216501841935-0.5938479415170.171606339517-0.2437937310420.2432451890630.412074007708-4.62659548599E-91.096104537040.06503894014680.175253952320.922594399918-0.1504519154350.7506840856061.37411306998-34.927306132-97.4783288326
141.93725888217-0.0103787952024-0.009947768425523.566023476450.4312026252072.6845328234-0.06244689467760.1799375873880.08966206952910.02005641393940.118598406821-0.176884933882-0.07327106988090.2382795026611.21133960755E-80.6708249175390.009011548123010.02180084379130.607187655118-0.03044657025850.632333064947-6.19174143943-20.1991934316-75.9040429555
150.57002573826-0.08765173979890.1257546730281.5308239649-0.5262241209141.031339731030.306593018081-0.0705509012692-0.3232733884550.0423965860058-0.6353480373020.08620948929990.811066429241-0.217314535325-1.14131788256E-71.36974125856-0.124137581509-0.0276065629520.776797824525-0.09525367283080.80389230105-12.5846029939-47.6866368937-70.003354553
164.0004328746-0.1151993091280.291516824572.022699954880.1539483763072.661572225370.04412094144970.1796782280390.3095047951130.1806004567670.05862679202860.0958278620308-0.038335666701-0.07102538420681.34616384258E-80.739782413764-0.0315108008915-0.04077126436760.4645763753510.01054960385760.66477927874442.2632373821-66.8648441752-87.5601881288
170.3930084450664.747276604850.2579532140671.03039785468-0.523049947101-1.3502353649-0.2920104600510.117039930973-1.66413972885-0.0583754601895-0.0242407310509-1.282487879190.483711350572-0.2664505265870.0003593207524851.30544535130.03351212439050.2789328138041.36951296631-0.0125242344921.94660077372-8.09105938037-64.8275410047-45.0931680834
180.4388086906690.0886665439679-0.1159907348110.187090953421-0.1829386898170.109736992219-0.5332370175160.995620093441-0.303491656881-0.8460968784730.30319078999-1.84722252334-0.08952060249050.296121763227-0.0002435770998651.037761987550.06791290407460.2416228402651.818502632560.003532403827861.6095825229-21.5906957725-85.4980825682-35.9202533331
190.5298911279920.919059109985-0.03703285244460.7857493387640.02405386692910.0383535787160.2358329708810.1300021276760.7396835875240.184387855012-0.0229009597926-0.244741317341-0.868042090989-0.09525347419291.92439290084E-71.307352222120.06739695481660.05036555685861.12539020621-0.03054183541091.1334745813924.7572141037-65.3605934599-65.8412309809
20-0.0262568474398-0.2417384248470.1428856277760.5620670379950.2659725971570.1850366209160.02595719727580.949735766401-0.851443350246-0.547327344488-0.668227340140.08958142633790.9420009762620.193765812868-0.001913050440522.126198933640.0128810972741-0.0117241050391.13474373176-0.1498014986341.38044290753-8.32837555121-58.224821515-86.8846084111
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'H' and ( resseq 31:60 )HT31 - 42
22chain 'F' and ( resseq 1:30 )FR1 - 30
33chain 'G' and ( resseq 1:30 )GS1 - 30
44chain 'H' and ( resseq 1:30 )HT1 - 30
55chain 'A' and ( resseq 213:396 )AE213 - 396214 - 397
66chain 'A' and (resseq 397:456 )AE397 - 456398 - 457
77chain 'D' and ( resseq 2:212 )DM3 - 2121 - 210
88chain 'D' and ( resseq 213:396 )DM213 - 396211 - 394
99chain 'D' and (resseq 397:456 )DM397 - 456395 - 454
1010chain 'C' and ( resseq 0:212 )CA0 - 2123 - 213
1111chain 'C' and ( resseq 213:396 )CA213 - 396214 - 397
1212chain 'C' and (resseq 397:457 )CA397 - 457398 - 457
1313chain 'B' and ( resseq 1:212 )BI1 - 2122 - 212
1414chain 'B' and ( resseq 213:396 )BI213 - 396213 - 396
1515chain 'B' and (resseq 397:457 )BI397 - 457397 - 456
1616chain 'A' and ( resseq 0:212 )AE0 - 2123 - 213
1717chain 'E' and ( resseq 1:30)EQ1 - 30
1818chain 'E' and ( resseq 31:42 )EQ31 - 42
1919chain 'F' and ( resseq 31:42 )FR31 - 42
2020chain 'G' and ( resseq 31:42 )GS31 - 42

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