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- PDB-7rgu: The crystal structure of RocC bound to a transcriptional terminator -

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Basic information

Entry
Database: PDB / ID: 7rgu
TitleThe crystal structure of RocC bound to a transcriptional terminator
Components
  • Modified SL3 of RocR
  • Repressor of competence, RNA Chaperone
KeywordsRNA BINDING PROTEIN/RNA / RNA chaperone / RNA binding protein / FinO / ProQ / RNA BINDING PROTEIN-RNA complex
Function / homology
Function and homology information


RNA strand-exchange activity / RNA strand annealing activity / post-transcriptional regulation of gene expression
Similarity search - Function
RNA chaperone ProQ / ProQ/FinO domain superfamily / ProQ/FINO family / ProQ/FinO domain / ProQ/FINO family
Similarity search - Domain/homology
RNA / RNA (> 10) / ProP effector
Similarity search - Component
Biological speciesLegionella pneumophila (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.2 Å
AuthorsKim, H.J. / Edwards, R.A. / Glover, J.N.M.
Funding support Canada, 1items
OrganizationGrant numberCountry
Natural Sciences and Engineering Research Council (NSERC, Canada) Canada
CitationJournal: Nat Commun / Year: 2022
Title: Structural basis for recognition of transcriptional terminator structures by ProQ/FinO domain RNA chaperones.
Authors: Kim, H.J. / Black, M. / Edwards, R.A. / Peillard-Fiorente, F. / Panigrahi, R. / Klingler, D. / Eidelpes, R. / Zeindl, R. / Peng, S. / Su, J. / Omar, A.R. / MacMillan, A.M. / Kreutz, C. / ...Authors: Kim, H.J. / Black, M. / Edwards, R.A. / Peillard-Fiorente, F. / Panigrahi, R. / Klingler, D. / Eidelpes, R. / Zeindl, R. / Peng, S. / Su, J. / Omar, A.R. / MacMillan, A.M. / Kreutz, C. / Tollinger, M. / Charpentier, X. / Attaiech, L. / Glover, J.N.M.
History
DepositionJul 15, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 9, 2022Provider: repository / Type: Initial release
Revision 1.1Nov 30, 2022Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _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
Revision 1.2Apr 3, 2024Group: 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: Repressor of competence, RNA Chaperone
B: Modified SL3 of RocR
C: Repressor of competence, RNA Chaperone
D: Modified SL3 of RocR
E: Repressor of competence, RNA Chaperone
F: Modified SL3 of RocR
G: Repressor of competence, RNA Chaperone
H: Modified SL3 of RocR
I: Repressor of competence, RNA Chaperone
K: Repressor of competence, RNA Chaperone
M: Repressor of competence, RNA Chaperone
O: Repressor of competence, RNA Chaperone
Q: Repressor of competence, RNA Chaperone
S: Repressor of competence, RNA Chaperone


Theoretical massNumber of molelcules
Total (without water)168,21614
Polymers168,21614
Non-polymers00
Water00
1
A: Repressor of competence, RNA Chaperone
B: Modified SL3 of RocR


Theoretical massNumber of molelcules
Total (without water)22,1402
Polymers22,1402
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Repressor of competence, RNA Chaperone
D: Modified SL3 of RocR


Theoretical massNumber of molelcules
Total (without water)22,1402
Polymers22,1402
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
E: Repressor of competence, RNA Chaperone
F: Modified SL3 of RocR


Theoretical massNumber of molelcules
Total (without water)22,1402
Polymers22,1402
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
G: Repressor of competence, RNA Chaperone
H: Modified SL3 of RocR


Theoretical massNumber of molelcules
Total (without water)22,1402
Polymers22,1402
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
I: Repressor of competence, RNA Chaperone


Theoretical massNumber of molelcules
Total (without water)13,2761
Polymers13,2761
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
K: Repressor of competence, RNA Chaperone


Theoretical massNumber of molelcules
Total (without water)13,2761
Polymers13,2761
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
M: Repressor of competence, RNA Chaperone


Theoretical massNumber of molelcules
Total (without water)13,2761
Polymers13,2761
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
O: Repressor of competence, RNA Chaperone


Theoretical massNumber of molelcules
Total (without water)13,2761
Polymers13,2761
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
9
Q: Repressor of competence, RNA Chaperone


Theoretical massNumber of molelcules
Total (without water)13,2761
Polymers13,2761
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
10
S: Repressor of competence, RNA Chaperone


Theoretical massNumber of molelcules
Total (without water)13,2761
Polymers13,2761
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)87.809, 135.939, 156.756
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 26 through 43 or resid 46...
d_2ens_1(chain "C" and (resid 26 through 43 or resid 46...
d_3ens_1(chain "E" and (resid 26 through 43 or resid 46...
d_4ens_1(chain "G" and (resid 26 through 43 or resid 46...
d_5ens_1(chain "I" and (resid 26 through 43 or resid 46...
d_6ens_1(chain "K" and (resid 26 through 43 or resid 46...
d_7ens_1(chain "M" and (resid 26 through 43 or resid 46...
d_8ens_1(chain "O" and (resid 26 through 43 or resid 46...
d_9ens_1(chain "Q" and (resid 26 through 43 or resid 46...
d_10ens_1(chain "S" and (resid 26 through 43 or resid 46...
d_1ens_2chain "B"
d_2ens_2chain "D"
d_3ens_2chain "F"
d_4ens_2chain "H"

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1SERSERA13 - 30
d_12ens_1ILEILEA33 - 40
d_13ens_1SERTHRA44 - 71
d_14ens_1ARGILEA73 - 109
d_21ens_1SERSERC13 - 30
d_22ens_1ILEILEC33 - 40
d_23ens_1SERTHRC44 - 71
d_24ens_1ARGILEC73 - 109
d_31ens_1SERSERE12 - 29
d_32ens_1ILEILEE32 - 39
d_33ens_1SERTHRE43 - 70
d_34ens_1ARGILEE72 - 108
d_41ens_1SERSERG16 - 33
d_42ens_1ILEILEG36 - 43
d_43ens_1SERTHRG47 - 74
d_44ens_1ARGILEG76 - 112
d_51ens_1SERSERI7 - 24
d_52ens_1ILEILEI27 - 34
d_53ens_1SERTHRI38 - 65
d_54ens_1ARGILEI67 - 103
d_61ens_1SERSERJ8 - 25
d_62ens_1ILEILEJ28 - 35
d_63ens_1SERTHRJ39 - 66
d_64ens_1ARGILEJ68 - 104
d_71ens_1SERSERK8 - 25
d_72ens_1ILEILEK28 - 35
d_73ens_1SERTHRK39 - 66
d_74ens_1ARGILEK68 - 104
d_81ens_1SERSERL1 - 18
d_82ens_1ILEILEL21 - 28
d_83ens_1SERTHRL32 - 59
d_84ens_1ARGILEL61 - 97
d_91ens_1SERSERM4 - 21
d_92ens_1ILEILEM24 - 31
d_93ens_1SERTHRM35 - 62
d_94ens_1ARGILEM64 - 100
d_101ens_1SERSERN4 - 21
d_102ens_1ILEILEN24 - 31
d_103ens_1SERTHRN35 - 62
d_104ens_1ARGILEN64 - 100
d_11ens_2UUB
d_21ens_2UUD
d_31ens_2UUF
d_41ens_2UUH

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(-0.997720406228, 0.0354672366822, -0.0574113762034), (0.0428364478126, 0.990231214596, -0.132692050924), (0.0521443164136, -0.134848866372, -0.98949318012)-47.4500048623, 0.863478858019, -73.8447081795
2given(0.996419717978, 0.0235148563025, 0.0812083564558), (0.0364247634406, -0.98622387971, -0.161355804664), (0.0762953618085, 0.163736100551, -0.983549443161)-45.3235592342, 65.0503736196, -83.260473338
3given(-0.992619876766, 0.0204208443594, -0.119535640559), (-0.01224758505, -0.997561175459, -0.0687146118232), (-0.120647324499, -0.0667434665958, 0.990449157079)-2.24963502453, 64.2396940836, 1.97563576173
4given(-0.103134113129, 0.314680639808, -0.943578004003), (-0.948301524285, 0.255148542952, 0.188741728477), (0.300145920759, 0.914262170255, 0.2720976117)-72.9224470656, 0.446134717754, -59.2323320775
5given(0.0435277223292, -0.127699253677, -0.990857324744), (0.974634656658, -0.212506271005, 0.070202356262), (-0.21952818368, -0.968779637169, 0.115210204306)-14.223404503, 75.364831583, -4.57792313622
6given(-0.0121991240161, -0.154673401239, 0.987890338207), (-0.98115582616, 0.192377452339, 0.0180044612087), (-0.192832637707, -0.969054722284, -0.154105545177)23.315105878, -6.34202883902, -11.0504085233
7given(-0.976594569742, -0.115788056666, -0.181262716201), (-0.170995031901, -0.0932600190575, 0.98084823898), (-0.130475075843, 0.988886087868, 0.0712780457421)-15.9500668733, 22.6959003451, -96.5685790328
8given(-0.0307405529855, -0.11535884149, -0.992848103232), (0.992977211518, -0.117057039387, -0.0171437142063), (-0.114242180516, -0.986402548263, 0.118147098868)-59.2070311653, 6.17808409004, -0.685332233632
9given(0.291101774179, -0.908534215313, -0.299708753083), (-0.91971166136, -0.179503403231, -0.349154676594), (0.263420228966, 0.377285181041, -0.88784327172)-40.7129522299, -9.33063441118, -24.3379373207
10given(-0.998122905602, 0.0279896987322, -0.0544723973855), (0.0349828601763, 0.990633954786, -0.131986996023), (0.0502679301934, -0.133644844234, -0.989753601056)-47.2821586775, 0.613101085043, -73.6038994354
11given(0.997653634039, 0.0503856843178, 0.0463520151125), (0.0562289337509, -0.989264417865, -0.134885946473), (0.0390580785292, 0.137175779067, -0.989776374814)-46.5781116695, 66.0891920212, -83.2914381095
12given(-0.990240093052, 0.0459300121847, -0.131586443428), (-0.0390232788431, -0.997745704415, -0.0545957235494), (-0.133797390937, -0.0489279398939, 0.989800138854)-3.25344045911, 64.264276093, 0.948637690875

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Components

#1: Protein
Repressor of competence, RNA Chaperone


Mass: 13276.348 Da / Num. of mol.: 10 / Fragment: ProQ/FinO-domain, UNP residues 14-126
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Legionella pneumophila (bacteria) / Gene: C3926_00530, DIZ73_10055 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A128QHZ1
#2: RNA chain
Modified SL3 of RocR


Mass: 8863.197 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Legionella pneumophila (bacteria)
Production host: in vitro transcription vector pT7-Fluc(deltai) (others)

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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: 2.78 Å3/Da / Density % sol: 55.77 %
Crystal growTemperature: 298 K / Method: vapor diffusion, sitting drop / pH: 8.5
Details: 0.2 M Lithium Sulfate 0.1 M Tris: HCl, pH 8.5 30 % (w/v) PEG 4000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.2.2 / Wavelength: 0.99992 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Aug 31, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.99992 Å / Relative weight: 1
ReflectionResolution: 3.2→50 Å / Num. obs: 29074 / % possible obs: 91.4 % / Redundancy: 4.4 % / Biso Wilson estimate: 40.86 Å2 / CC1/2: 0.958 / Net I/σ(I): 5
Reflection shellResolution: 3.2→3.31 Å / Redundancy: 4.5 % / Num. unique obs: 2884 / CC1/2: 0.63 / % possible all: 92

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Processing

Software
NameVersionClassification
Web-Icedata collection
HKL-2000data reduction
HKL-2000data processing
HKL-2000data scaling
PHASERphasing
PHENIX1.18.2_3874refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: RocC(1-126)

Resolution: 3.2→48.77 Å / SU ML: 0.426 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 26.1635
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2711 1462 5.05 %
Rwork0.2193 27488 -
obs0.2219 28950 91.41 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 47.72 Å2
Refinement stepCycle: LAST / Resolution: 3.2→48.77 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8437 2348 0 0 10785
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002711205
X-RAY DIFFRACTIONf_angle_d0.527415595
X-RAY DIFFRACTIONf_chiral_restr0.03451879
X-RAY DIFFRACTIONf_plane_restr0.00261603
X-RAY DIFFRACTIONf_dihedral_angle_d16.93184725
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.327722172876
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS0.458911301165
ens_1d_4AX-RAY DIFFRACTIONTorsion NCS0.44472987146
ens_1d_5AX-RAY DIFFRACTIONTorsion NCS0.429725133342
ens_1d_6AX-RAY DIFFRACTIONTorsion NCS0.452742443379
ens_1d_7AX-RAY DIFFRACTIONTorsion NCS0.451446296797
ens_1d_8AX-RAY DIFFRACTIONTorsion NCS0.599785155477
ens_1d_9AX-RAY DIFFRACTIONTorsion NCS0.583719662556
ens_1d_10AX-RAY DIFFRACTIONTorsion NCS0.488780859052
ens_2d_2BX-RAY DIFFRACTIONTorsion NCS0.42675663552
ens_2d_3BX-RAY DIFFRACTIONTorsion NCS0.58236834295
ens_2d_4BX-RAY DIFFRACTIONTorsion NCS0.559522161374
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.2-3.310.33321580.24322705X-RAY DIFFRACTION91.12
3.31-3.450.32141510.2482696X-RAY DIFFRACTION92.26
3.45-3.60.33491280.25012760X-RAY DIFFRACTION92.83
3.6-3.790.24991440.23742766X-RAY DIFFRACTION92.41
3.79-4.030.26791360.22742750X-RAY DIFFRACTION91.97
4.03-4.340.291300.21212747X-RAY DIFFRACTION92.03
4.34-4.780.22771450.21242760X-RAY DIFFRACTION92.08
4.78-5.470.28151710.20262751X-RAY DIFFRACTION91.68
5.47-6.890.26581570.21642765X-RAY DIFFRACTION90.89
6.89-48.770.21931420.18382788X-RAY DIFFRACTION87.18
Refinement TLS params.

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
13.8906203816-0.237345060456-2.193971121276.0171243883-0.3240798817142.905628831510.3366365280080.2302381978080.708713488504-0.118372960540.008420045875050.42241642827-0.630421975967-0.472011565592-0.07086622112070.342950516640.164287569537-0.03788656719520.434690163573-0.1872337751150.424110652771-12.287561660637.1770159315-8.65538557587
25.747446463971.73044279636-0.4291502941367.86710466014-0.2420541165766.483074762180.1553287267140.453482641376-0.2615409853720.468266926418-0.258462480363-0.496944635525-0.3726969455650.08342822003470.04875271087180.1808467999940.04427420454820.01401175343420.140135648704-0.01060027225950.18311758367-1.3499825544121.9442445095-13.5324714497
34.44868522224-0.2390762684210.1410036345184.069446960772.544979776271.610472505660.275235530928-0.3074015957590.07519882496980.442654906978-0.02444450784980.1453854238760.0581685806799-0.168640443683-0.002829269358090.1629003240930.1080065844730.08504800642230.3032398149370.05445507787140.239269817727-14.048169529225.329227269-9.32565833645
42.564913100331.17146460955-2.199464045983.64522308697-1.061897667983.403610075290.237543353075-0.2181181045740.1771153532860.078685216982-0.07214591334780.0663076323008-0.4482957757250.141160165052-0.09678910735930.2958517311270.17372537046-0.06786159456090.369443926596-0.1299515625880.154088166274-1.7300412827528.1126948387-22.902905556
50.7970456544870.0509339878751-0.2031383609910.276433884987-0.04813253256080.465014964912-0.125485539648-0.088400592747-0.2929484199910.09960728401280.08045514324960.1114715102970.06842912870220.1769604728230.1252612780810.02885073800390.09399751132980.09035132437280.339152322979-0.06711626543570.204273853722-1.9276399162214.7232324849-20.2944063793
62.597405880360.78655073992-1.050782938745.412914274310.07694482694412.60162615501-0.003442654611490.894577143145-0.0141263739024-1.35611500809-0.01355243440251.13291168955-0.147347583887-0.532575844685-0.06856532175260.3061482710620.103266518787-0.09875878600880.5525288671740.00100207119280.28722277666-5.5481200171425.8924285092-32.6005253144
71.121409860830.769941757461.186117464272.172051297170.8766919510785.761357785260.4317705698571.408046296751.67384088291-0.827016549052-0.2280679213670.52762861744-1.00732696704-0.728503778831-0.1270210871040.5472789197930.2108089752640.1035106328760.8272089863560.2134624815960.897164103665-30.956818400437.1063657053-14.6901368807
82.025124467060.933438589611-0.8800907556473.410043635252.223875581612.773824513490.5099210182790.8157333724731.18938925611-1.11198612386-0.1223786843241.21694892106-0.69524188888-1.06550260143-0.2111914940010.5534360862480.326377390951-0.03052122632731.045705067580.1091541418871.0034741379-28.148519693835.7955437918-18.4432391379
92.40631847851-0.2390803771681.059365372851.391364882220.9867587594061.341871952090.09175816394750.08065160746430.700371482006-0.2116651231280.0464125616394-0.292480547418-0.4283818468120.541160619423-0.08955498950140.20995938991-0.1345442201890.1472068714470.433343993520.1411837935940.357657545648-33.512641508938.2088096299-71.0615639564
102.98060677340.535719498549-0.6241192162761.99388891864-0.4915118166542.952288090760.0114657773177-0.3749163711-0.342660710708-0.171558939111-0.0905990070227-0.007427414461350.1484658546220.2087674624080.1473507696710.113633612768-0.0403882433775-0.08220579741440.30635940052-0.003891376909920.138712499796-38.41803681823.2465729752-67.6212762138
113.24509671327-0.235141848394-2.414143662680.153392749753-0.1211471920042.42820818280.260644832824-0.1806338957860.1407729874610.0180447528255-0.00220567755116-0.0150724382737-0.266905318670.09742368370830.1770447296810.0531381041525-0.0769634807925-0.008362287005210.3534090479340.02046883583510.0444211033599-32.310444273431.0184826488-65.3402448049
120.901587200861-0.0816563288884-0.7764073007270.4480693646250.1488467014341.24881422648-0.318339802932-0.0411202649824-0.339548843135-0.0231570612265-0.091776689948-0.03491722411930.4487034127680.14746969845-0.567910190470.1664721969470.05333847198030.134936544840.3584815814630.1187370133360.144232731674-43.734021751721.9453043984-55.6024301977
130.2263454591640.224335478399-0.4360697688184.22039419393-1.372128532932.467098923970.206578779443-0.1547270700270.03857490433580.796999903209-0.1709019349710.0888036057505-0.5138013190530.383782946242-0.09122042386450.4220177992020.03476539067080.08773392921120.7841220110430.02015900032430.110668077482-38.871491102529.9616873774-45.3182027099
149.214124242642.64571592843-2.738827223936.7283251204-6.324292407369.525033814960.569678500162-0.4963238271331.715879979110.6478796850340.1489829654940.670067462959-0.7877080763840.392896322708-0.6130142724980.211030188873-0.09444645181350.08702164027040.683180017798-0.3149386466130.573248673359-14.530056068238.2028379851-65.334588396
151.319771488262.065912408742.218320319193.32219392153.385708624173.811664457351.10548423961-1.996340186991.099526881610.1359285034230.294040592393-2.57618877883-0.6166964488391.2820317626-1.304274115241.17240556111-0.6760485308760.365708105463.22934206504-0.01322615447582.2518501398-3.4496852557450.6493165961-60.4652616791
165.00651245652-2.37344366058-3.168879771372.39692374050.512320075944.222692304970.269159942195-1.064179466110.6096248533430.110918630290.0996206446309-0.39763093823-0.2608252895320.2433099613110.08494941852890.1523734624510.09827565167380.01809926182320.582445535196-0.05639036634550.252031222691-22.609453635832.3601023345-62.1574158764
171.8363015105-0.171686424156-0.8565573234071.38664571520.2442728643913.82658781179-0.09594681938040.0231432239962-0.619622181731-0.06178653927520.2373228676560.1236748225510.599639383038-0.0321064036720.1935014065550.161999374172-0.0821448493489-0.04030573254570.2025656351160.1158647604950.287540878183-55.072898047533.0838836684-69.9003271148
181.98443851069-0.1603050080780.7440801551361.871243776760.1521568197550.9090896276530.324928095939-0.0753351972952-0.09709949131660.0257626232206-0.18863701619-0.06446733025240.009853920414590.1818949871920.09365589105210.073584525633-0.0640934317625-0.03919108234920.3392862462560.03282928955380.112592859506-56.003260501942.4056810422-69.2321336282
193.4679587061-0.412939439071.468975295373.67131642318-1.952330144572.9324983071-0.185482188078-0.8046428546850.2315854010590.5917461062370.1044030779330.0768843915655-0.51816807943-0.3602698332260.03450307868360.257258691485-0.0641257168908-0.08612048238110.4009313354-0.1482151725940.245706122981-50.147453640748.3141498278-55.2540093001
204.48224881055.557053611344.889089644016.894335225476.062064588645.333192592850.670124551524-1.83143573333-0.6199440243130.674396685879-0.8739980896050.1054832866330.755806424629-1.420727510330.1582789782920.414289012097-0.000297124591157-0.0328664384480.866099518240.01552975346230.520330474745-75.2418880238.1262542036-62.017825454
211.05163694406-1.0206726839-0.392212336571.18721736134-0.05943226762611.152953389980.070621746021-0.892040541224-0.1150929518730.190824370543-0.2466525133110.917307387010.305670454515-0.5132354471350.1996794890970.277855259587-0.1376850184310.03889360420740.682136308929-0.01563943270430.498477170334-74.502995487429.2242672429-62.6623944086
224.92481341479-5.10864309934-2.745492915315.694919044242.448643923432.382255648320.2783892726210.624164606326-0.971731110108-0.2873474821430.221762050192-0.5149859690910.7191996059740.292582019137-0.5235104733320.716280874809-0.165107201706-0.2932130538960.714741859062-0.2670453137190.89058720875920.995019167416.0583861361-10.9129327925
231.733658826690.394697906550.5165912560611.711598642470.4664364614551.719410771960.3857695790040.180674018948-0.197691451688-0.00591108217320.188178107356-0.3712674983640.004784235377470.384465531340.2006716016070.2268990414450.084216400940.03544136176780.148495856636-0.179179033160.28633950177.9004566891833.1672931154-7.37733983457
242.742674382.204315683950.6401944376253.164027947140.9805848078534.256321424330.497557985833-0.288402966812-0.001299055761470.434953459587-0.703751215463-0.0972530338033-0.165797018306-0.4572110578880.1547081389150.4585218994960.0570394186143-0.1437276187680.5728094003740.112008671890.3182139171950.76556981565543.5043972373-14.8514221643
251.011144122190.1303227769791.073928141520.340191819967-0.2395695275643.210755191410.0996561403587-0.1944227828110.03752197668290.26188886271-0.0747801959873-0.110275498659-0.2563802659230.456424474590.3202612449910.356425811857-0.0399267216023-0.1714675324750.257294195391-0.0294539895120.15931609885613.450026384940.0334933052-6.60049472693
260.551714614007-0.01173069181530.2151561056940.3425802689040.6167458247091.21279410328-0.0563709534674-0.01243634345990.1333760118170.171194786846-0.0325553896579-0.0851910482188-0.359220151868-0.1548727832940.2307375178660.4545426957380.0892161600002-0.04394183098420.4968449684510.2522223781350.2407492969182.7144647451644.7906840499-19.6474106416
273.419136831091.846813519051.236339806746.090209639122.520691704432.23665419671-0.2720264046010.365793292259-0.161935046024-0.8538950103050.392659054896-0.536617794018-0.4797521654460.233098425237-0.1145365894990.4091545064190.2182718864640.04494956496310.7282738229860.03083126832250.185263069046.6298350811743.1395558711-29.2059188241
282.57514466578-1.32273958336-2.812607671285.685533386931.375885227123.06673655360.3043472062440.791111421172-1.07645435989-0.383346283733-0.522540436674-0.53430678941-0.02819993033580.3140795355020.20610478240.3089091049890.100753200711-0.06705922557331.10557667804-0.08290574519270.85496932649834.899271688825.6816164999-13.4952385226
297.02473269297-2.3245531973.179487867045.04143575442-1.081120076771.876856626970.4370115966441.308910078960.185915976087-0.841411611339-0.301497282857-0.7464022202370.3523795053440.964736378067-0.0588862544280.4014125418270.0344584206412-0.04073158584420.594155050203-0.0003681608553370.3627068208423.191701975935.4407121558-14.2500250556
304.095872324940.507443700922-1.818727838723.76596189663-0.05872432381324.687761432450.02193052387630.0746902472030.1377384806720.05388829547150.231713606143-0.284123763807-0.250733225518-0.250951810024-0.1352560180830.181274056561-0.008673854689430.1016399896930.2762957856790.1683983910310.31484786519-54.191110803314.3710729855-40.6482405199
316.41578428092-2.441599737241.564515961072.60843261254-1.365371727193.13354019226-0.07978178943260.623596953165-0.220783680722-0.559189804525-0.441062840398-0.3799509167320.6493401318080.6270159159670.2745747427450.4526566937450.1411647469620.1367934697540.2789332546180.1499892023740.433732960313-41.92393502774.20660609292-47.7583200705
325.441228995631.500724022141.116777041156.43912674280.2920725826998.86582700458-0.07335035422020.668849266934-0.989648471476-0.4741096019530.2850033816270.2802911819870.839635737460.362921846394-0.2416188050460.3992536177820.0606684889724-0.04684270491730.27340192439-0.04266898537630.396974517612-10.685882701960.1366028814-33.8086987919
337.03790911673-1.167192182033.442802251215.09106619233-0.07493807417464.765917361420.480614859127-0.544254101393-0.9066491306340.4269362258650.3262879902930.7307338864660.43032375773-0.133614354485-0.7036497428470.2976278110040.101015054830.003748913765650.5609391154770.07313411986650.32922847309-7.7377130918261.6028396908-24.8009528887
348.228688252117.35727138904-7.014907360528.15138423331-4.628436908879.70564830213-0.5650829193390.647975565346-1.48222752099-0.4147552483320.292643868502-0.627339315470.8948081023730.06687273314270.2970541073620.3270546163390.0396762689606-0.05885848930890.538989118716-0.09736859704080.430851875366-5.419149581255.2293588799-31.435289777
355.49795644503-0.52684691015-2.344437086164.808975261771.359538890926.60279080302-0.246757913984-0.2976659215450.06469658173590.280707652916-0.0686630282688-0.6583675811580.4382502180361.179380059790.2126765615520.3208154514510.10664961676-0.003973782839950.4093325429640.1016864483330.2779359183688.2665024783565.6974227084-27.8433423492
362.688835297331.05979105631-1.046822110474.63609021611-0.6813914254284.32691073002-0.04433914283880.18673555890.100179449869-0.1344050540750.2016554935610.313523960926-0.1683811313190.145489187719-0.1289252193060.1532565925180.0553504329495-0.02691467436810.406586003582-0.008627699767020.06451895966759.453711876888.07803496326-33.5749277716
373.53176020333-1.877993125251.798766724165.32218027744-0.4553875447813.40687493602-0.064234070925-0.437352243778-0.3604995168020.142546954448-0.160589694194-0.1676573976370.625720263915-0.3781182143730.2535103774210.391090557181-0.09681716868760.1159344873880.253990140166-0.008078213813560.145481315526-4.83486024465-1.48374201656-29.7391395044
384.36428859391.070585967052.775448369012.981623679791.481994844453.87576524001-0.174161244938-0.5280177015930.5460432930640.286356619104-0.5397117921880.5946575384840.0526683235663-0.8760104571380.04809171692390.260961054207-0.0630215106564-0.04244410400030.674341005562-0.003438842349990.33238990639-5.045413075561.50148316884-25.8357458369
393.640375118140.1879759543531.190507814766.946276489733.369855052294.44013800926-0.00292215479011-0.399058257944-0.03661581056620.5397213411270.09631986655260.1813340205960.135327408049-0.128736101925-0.09622536885370.1868729186380.0260133108869-0.0067052421390.609676479930.04769697204630.225883413508-9.6491874201213.047829561-73.0314894598
406.490447978115.041237087434.277153645344.53914540554.212758000815.122516552340.808866783383-0.226718099342-0.3050265775661.32806074736-0.587874884213-0.5352033416480.590299520415-1.06287846071-0.1616443436390.460236158424-0.0471941425244-0.0641662676720.3423052882540.02681561370160.337661557187-6.921398245085.65466698971-68.0716253342
413.313061435730.0608045559591-0.1773641591472.37501396023-1.280710173920.6982300936570.1148798004980.329486822358-1.210209301810.180755693117-0.123378162681-0.1980124896350.9373472089460.2121398593770.004425132232480.8919748609660.2359613542040.002453094073850.355643716045-0.05878600594340.62695936024-10.2076893374-2.79425501366-80.4498324336
422.662916957482.851394552430.5537515219683.73877887852.704734296986.62026557324-0.223722268579-0.348465845076-0.5370238457730.07785311690670.223244549136-1.175457250111.065842821680.732489724439-0.0617077235340.4779788624740.2186560523510.01003084297350.6643479697230.1664459211530.640174584123-55.7067377518-5.93156931655-31.4510995957
431.38229380262-0.08560838935380.6673759407860.849500553593-0.04255803378910.397312944149-0.04861453357550.2179326638610.5509732269590.000108922887517-0.230222031339-0.0587575130703-0.306338294233-0.1532845531640.09417716805950.4311696342340.1800228510910.03690546076790.2202554628440.02930298801140.421197732244-48.14990512292.81754121105-23.904635587
440.05126432404490.5630264525870.3160029613436.111412525243.516825632223.47795895420.05051566078670.002498297522970.0294675561318-0.257616517923-0.01440071395131.210444352030.664878883824-0.515629002404-0.07455259327580.650736183551-0.120888268379-0.2574387892550.2431132284420.121938040420.631050515077-55.7706681891-10.9862494921-21.046040362
456.76529084723.02614532069-1.064246427066.928092806330.4342706509585.10441620478-0.2891129393621.02356738929-0.782206648843-0.197713771863-0.178408809160.2918053028861.23929794837-0.2813312090470.1424155024530.5598572719530.0502669160727-0.102769281670.419278984141-0.1467978382220.320791048526-49.0383007617-10.3847823101-29.625568771
460.602926206019-0.420601728509-0.1992880213111.422495088720.2773010225340.204698517772-0.102854822464-0.08020868655480.1966182185110.1256248957280.0438758832027-0.433707649983-0.03704568494050.03639563269380.3169880225910.3604249054570.312433865775-0.0004378816358680.4271126953010.2131288566660.407551377812-40.21732704912.68442532635-21.2326731837
472.26439108912-2.068711906060.8060061025113.48881799995-1.260802451017.26303880587-0.2341603945830.04345893332080.4173233067690.213328823581-0.039323745023-0.6823413964230.04802006174810.4833636485550.1965737642840.472758088530.189510578097-0.01976283171950.4732315807240.2836911882020.790340448759-29.6684443808-2.20953880888-29.2466417013
485.57256927974-0.03148565934041.691852190081.83230906738-1.326405810261.46033777201-0.0921311358146-0.7101707195070.1892144881830.37449327850.05246978507861.06840009408-0.334855677701-1.290032442990.08479527280960.295451387536-0.01926809817630.000676438883080.616466599236-0.05889398838410.56370838603-69.648998122-4.54210161517-8.73353187267
498.02536836513-0.002487088096670.8467271559983.005186309530.5219204555054.42484292558-0.118503565371-0.4182276351550.5391400079130.1884235212090.1478355160970.12470860863-0.520133022418-0.637519320832-0.06636661688610.2130475178220.1034561184380.01856678051920.274363889913-0.03818620893860.353711959528-62.158713562-1.13953200387-8.04676608338
500.266357016341-0.306192676496-1.13002625644.230604393141.544480257954.829531889370.00247396482229-0.0449873440987-0.4909934215810.569132090271-0.388830688129-0.6904160455010.484728845140.6596129585880.3345392592370.300652636375-0.02876389284230.01047653314150.6779718834390.201783319720.314792513124-51.7565746684-3.658208850010.967986457265
514.618701649060.827564672424-1.693686742353.14051558307-0.3561143661690.6592429440090.242927417413-0.30794656721-0.00619173850220.937356185772-0.357484586728-0.322799349868-0.482143210838-0.1305723148690.1208853719920.569142165477-0.127814148531-0.118214092531.277720600950.01571732398310.333895357074-56.25954793032.7770579728112.7457992561
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 14 through 35 )AA14 - 351 - 22
22chain 'A' and (resid 36 through 52 )AA36 - 5223 - 39
33chain 'A' and (resid 53 through 83 )AA53 - 8340 - 72
44chain 'A' and (resid 84 through 90 )AA84 - 9073 - 79
55chain 'A' and (resid 91 through 109 )AA91 - 10980 - 98
66chain 'A' and (resid 110 through 124 )AA110 - 12499 - 113
77chain 'B' and (resid 1 through 10 )BB1 - 10
88chain 'B' and (resid 11 through 28 )BB11 - 28
99chain 'C' and (resid 14 through 35 )CC14 - 351 - 22
1010chain 'C' and (resid 36 through 67 )CC36 - 6723 - 56
1111chain 'C' and (resid 68 through 83 )CC68 - 8357 - 72
1212chain 'C' and (resid 84 through 109 )CC84 - 10973 - 98
1313chain 'C' and (resid 110 through 123 )CC110 - 12399 - 112
1414chain 'D' and (resid 1 through 10 )DD1 - 10
1515chain 'D' and (resid 11 through 15 )DD11 - 15
1616chain 'D' and (resid 16 through 28 )DD16 - 28
1717chain 'E' and (resid 15 through 40 )EE15 - 401 - 26
1818chain 'E' and (resid 41 through 83 )EE41 - 8327 - 71
1919chain 'E' and (resid 84 through 123 )EE84 - 12372 - 111
2020chain 'F' and (resid 1 through 5 )FF1 - 5
2121chain 'F' and (resid 6 through 28 )FF6 - 28
2222chain 'G' and (resid 11 through 17 )GG11 - 171 - 7
2323chain 'G' and (resid 18 through 40 )GG18 - 408 - 30
2424chain 'G' and (resid 41 through 52 )GG41 - 5231 - 42
2525chain 'G' and (resid 53 through 82 )GG53 - 8243 - 74
2626chain 'G' and (resid 83 through 103 )GG83 - 10375 - 95
2727chain 'G' and (resid 104 through 125 )GG104 - 12596 - 117
2828chain 'H' and (resid 1 through 15 )HH1 - 15
2929chain 'H' and (resid 16 through 28 )HH16 - 28
3030chain 'I' and (resid 20 through 83 )II20 - 831 - 66
3131chain 'I' and (resid 84 through 124 )II84 - 12467 - 107
3232chain 'K' and (resid 19 through 40 )KJ19 - 401 - 22
3333chain 'K' and (resid 41 through 67 )KJ41 - 6723 - 51
3434chain 'K' and (resid 68 through 83 )KJ68 - 8352 - 67
3535chain 'K' and (resid 84 through 125 )KJ84 - 12568 - 109
3636chain 'M' and (resid 19 through 83 )MK19 - 831 - 67
3737chain 'M' and (resid 84 through 95 )MK84 - 9568 - 79
3838chain 'M' and (resid 96 through 124 )MK96 - 12480 - 108
3939chain 'O' and (resid 26 through 67 )OL26 - 671 - 44
4040chain 'O' and (resid 68 through 90 )OL68 - 9045 - 67
4141chain 'O' and (resid 91 through 120 )OL91 - 12068 - 97
4242chain 'Q' and (resid 23 through 35 )QM23 - 351 - 13
4343chain 'Q' and (resid 36 through 52 )QM36 - 5214 - 30
4444chain 'Q' and (resid 53 through 67 )QM53 - 6731 - 47
4545chain 'Q' and (resid 68 through 83 )QM68 - 8348 - 63
4646chain 'Q' and (resid 84 through 109 )QM84 - 10964 - 89
4747chain 'Q' and (resid 110 through 124 )QM110 - 12490 - 104
4848chain 'S' and (resid 23 through 35 )SN23 - 351 - 13
4949chain 'S' and (resid 36 through 83 )SN36 - 8314 - 63
5050chain 'S' and (resid 84 through 109 )SN84 - 10964 - 89
5151chain 'S' and (resid 110 through 124 )SN110 - 12490 - 104

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