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- PDB-6zww: Crystal structure of E. coli RNA helicase HrpA in complex with RNA -

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Basic information

Entry
Database: PDB / ID: 6zww
TitleCrystal structure of E. coli RNA helicase HrpA in complex with RNA
Components
  • ATP-dependent RNA helicase HrpA
  • ssRNA
KeywordsRNA BINDING PROTEIN / RNA helicase / NTPase / bacterial helicase / DExH-box
Function / homology
Function and homology information


nucleic acid binding / RNA helicase activity / hydrolase activity / RNA helicase / ATP binding
Similarity search - Function
RNA helicase HrpA / RNA helicase HrpA, C-terminal / Domain of unknown function (DUF3418) / DEAD-box helicase, OB fold / Oligonucleotide/oligosaccharide-binding (OB)-fold / Helicase associated domain (HA2), winged-helix / Helicase-associated domain / Helicase associated domain (HA2) Add an annotation / DEAD/DEAH box helicase domain / DEAD/DEAH box helicase ...RNA helicase HrpA / RNA helicase HrpA, C-terminal / Domain of unknown function (DUF3418) / DEAD-box helicase, OB fold / Oligonucleotide/oligosaccharide-binding (OB)-fold / Helicase associated domain (HA2), winged-helix / Helicase-associated domain / Helicase associated domain (HA2) Add an annotation / 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 / P-loop containing nucleotide triphosphate hydrolases / ATPases associated with a variety of cellular activities / AAA+ ATPase domain / Rossmann fold / P-loop containing nucleoside triphosphate hydrolase / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
RNA / RNA (> 10) / ATP-dependent RNA helicase HrpA
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
Escherichia coli BL21 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.16 Å
AuthorsGrass, L.M. / Wollenhaupt, J. / Barthel, T. / Loll, B. / Wahl, M.C.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2021
Title: Large-scale ratcheting in a bacterial DEAH/RHA-type RNA helicase that modulates antibiotics susceptibility.
Authors: Grass, L.M. / Wollenhaupt, J. / Barthel, T. / Parfentev, I. / Urlaub, H. / Loll, B. / Klauck, E. / Antelmann, H. / Wahl, M.C.
History
DepositionJul 29, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 30, 2021Provider: repository / Type: Initial release
Revision 1.1Jul 28, 2021Group: Database references / Category: citation / citation_author
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.pdbx_database_id_DOI / _citation.title / _citation.year
Revision 1.2Aug 4, 2021Group: Database references / Category: citation / Item: _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.3Jan 31, 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

Downloads & links

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Assembly

Deposited unit
A: ATP-dependent RNA helicase HrpA
C: ATP-dependent RNA helicase HrpA
E: ATP-dependent RNA helicase HrpA
G: ATP-dependent RNA helicase HrpA
B: ssRNA
D: ssRNA
F: ssRNA
H: ssRNA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)373,10610
Polymers373,0268
Non-polymers802
Water00
1
A: ATP-dependent RNA helicase HrpA
B: ssRNA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)93,2973
Polymers93,2572
Non-polymers401
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3110 Å2
ΔGint-29 kcal/mol
Surface area36930 Å2
MethodPISA
2
C: ATP-dependent RNA helicase HrpA
D: ssRNA


Theoretical massNumber of molelcules
Total (without water)93,2572
Polymers93,2572
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3130 Å2
ΔGint-31 kcal/mol
Surface area37580 Å2
MethodPISA
3
E: ATP-dependent RNA helicase HrpA
F: ssRNA


Theoretical massNumber of molelcules
Total (without water)93,2572
Polymers93,2572
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3170 Å2
ΔGint-33 kcal/mol
Surface area36830 Å2
MethodPISA
4
G: ATP-dependent RNA helicase HrpA
H: ssRNA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)93,2973
Polymers93,2572
Non-polymers401
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3110 Å2
ΔGint-32 kcal/mol
Surface area36240 Å2
MethodPISA
Unit cell
Length a, b, c (Å)220.854, 126.198, 179.253
Angle α, β, γ (deg.)90.000, 110.758, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 11 or resid 13 through 14...
d_2ens_1(chain "C" and (resid 11 or resid 13 through 14...
d_3ens_1(chain "E" and (resid 11 or resid 13 through 14...
d_4ens_1(chain "G" and (resid 11 or resid 13 through 14...
d_1ens_2(chain "B" and (resid 4 through 6 or resid 8 or resid 10 through 15))
d_2ens_2(chain "D" and (resid 4 through 6 or resid 8 or resid 10 through 15))
d_1ens_3(chain "F" and resid 6 through 14)
d_2ens_3(chain "H" and resid 6 through 14)

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1ALAALAA10
d_12ens_1GLNGLNA12 - 13
d_13ens_1LEULEUA15
d_14ens_1SERLEUA17 - 20
d_15ens_1ASPASPA22
d_16ens_1LEULEUA24
d_17ens_1PHESERA26 - 27
d_18ens_1ARGLEUA29 - 30
d_19ens_1ALAALAA44
d_110ens_1METGLUA49 - 69
d_111ens_1THRSERA71 - 79
d_112ens_1LYSLYSA81 - 82
d_113ens_1ASPALAA84 - 134
d_114ens_1THRPROA136 - 217
d_115ens_1ARGPROA219 - 233
d_116ens_1ARGASNA235 - 241
d_117ens_1ALAPROA243 - 261
d_118ens_1ASPASPA264
d_119ens_1LEULEUA266
d_120ens_1ALAGLNA268 - 278
d_121ens_1SERILEA280 - 294
d_122ens_1ASPLEUA296 - 304
d_123ens_1HISHISA308
d_124ens_1LEUGLNA312 - 323
d_125ens_1ARGPHEA325 - 327
d_126ens_1SERSERA329
d_127ens_1SERTYRA331 - 365
d_128ens_1TYRTYRA367
d_129ens_1THRGLNA369 - 372
d_130ens_1LEUASPA374 - 449
d_131ens_1ASNILEA452 - 453
d_132ens_1ASPTHRA455 - 468
d_133ens_1TYRPROA475 - 479
d_134ens_1GLYGLYA481
d_135ens_1GLNALAA483 - 500
d_136ens_1LYSASPA502 - 533
d_137ens_1LYSPHEA535 - 539
d_138ens_1ASPLYSA541 - 542
d_139ens_1SERGLNA544 - 560
d_140ens_1ALAALAA562
d_141ens_1SERPHEA564 - 568
d_142ens_1ARGCYSA570 - 572
d_143ens_1THRARGA574 - 593
d_144ens_1VALSERA595 - 605
d_145ens_1PROMETA607 - 627
d_146ens_1ASPASPA629 - 631
d_147ens_1GLNALAA633 - 638
d_148ens_1ASNALAA640 - 641
d_149ens_1PHEPHEA643 - 652
d_150ens_1PROSERA655 - 668
d_151ens_1LEUGLYA670 - 672
d_152ens_1ILETRPA674 - 700
d_153ens_1ALAILEA703 - 741
d_21ens_1ALAALAB8
d_22ens_1GLNGLNB10 - 11
d_23ens_1LEULEUB13
d_24ens_1SERLEUB15 - 18
d_25ens_1ASPASPB20
d_26ens_1LEULEUB22
d_27ens_1PHESERB24 - 25
d_28ens_1ARGLEUB27 - 28
d_29ens_1ALAALAB42
d_210ens_1METGLUB47 - 67
d_211ens_1THRSERB69 - 77
d_212ens_1LYSLYSB79 - 80
d_213ens_1ASPALAB82 - 132
d_214ens_1THRPROB134 - 215
d_215ens_1ARGPROB217 - 231
d_216ens_1ARGASNB233 - 239
d_217ens_1ALAPROB241 - 259
d_218ens_1ASPASPB270
d_219ens_1LEULEUB272
d_220ens_1ALAGLNB274 - 284
d_221ens_1SERILEB286 - 300
d_222ens_1ASPLEUB302 - 310
d_223ens_1HISHISB314
d_224ens_1LEUGLNB318 - 329
d_225ens_1ARGPHEB331 - 333
d_226ens_1SERSERB335
d_227ens_1SERTYRB337 - 371
d_228ens_1TYRTYRB373
d_229ens_1THRGLNB375 - 378
d_230ens_1LEUASPB380 - 455
d_231ens_1ASNILEB458 - 459
d_232ens_1ASPTHRB461 - 474
d_233ens_1TYRPROB479 - 483
d_234ens_1GLYGLYB485
d_235ens_1GLNALAB487 - 504
d_236ens_1LYSASPB506 - 537
d_237ens_1LYSPHEB539 - 543
d_238ens_1ASPLYSB545 - 546
d_239ens_1SERGLNB548 - 564
d_240ens_1ALAALAB566
d_241ens_1SERPHEB568 - 572
d_242ens_1ARGCYSB574 - 576
d_243ens_1THRARGB578 - 597
d_244ens_1VALSERB599 - 609
d_245ens_1PROMETB611 - 631
d_246ens_1ASPASPB633 - 635
d_247ens_1GLNALAB637 - 642
d_248ens_1ASNALAB644 - 645
d_249ens_1PHEPHEB647 - 656
d_250ens_1PROSERB659 - 672
d_251ens_1LEUGLYB674 - 676
d_252ens_1ILETRPB678 - 704
d_253ens_1ALAILEB707 - 745
d_31ens_1ALAALAC4
d_32ens_1GLNGLNC6 - 7
d_33ens_1LEULEUC9
d_34ens_1SERLEUC11 - 14
d_35ens_1ASPASPC16
d_36ens_1LEULEUC18
d_37ens_1PHESERC20 - 21
d_38ens_1ARGLEUC23 - 24
d_39ens_1ALAALAC31
d_310ens_1METGLUC36 - 56
d_311ens_1THRSERC58 - 66
d_312ens_1LYSLYSC68 - 69
d_313ens_1ASPALAC71 - 121
d_314ens_1THRPROC123 - 204
d_315ens_1ARGPROC206 - 220
d_316ens_1ARGASNC222 - 228
d_317ens_1ALAPROC230 - 248
d_318ens_1ASPASPC255
d_319ens_1LEULEUC257
d_320ens_1ALAGLNC259 - 269
d_321ens_1SERILEC271 - 285
d_322ens_1ASPLEUC287 - 295
d_323ens_1HISHISC299
d_324ens_1LEUGLNC303 - 314
d_325ens_1ARGPHEC316 - 318
d_326ens_1SERSERC320
d_327ens_1SERTYRC322 - 356
d_328ens_1TYRTYRC358
d_329ens_1THRGLNC360 - 363
d_330ens_1LEUASPC365 - 440
d_331ens_1ASNILEC443 - 444
d_332ens_1ASPPROC446 - 464
d_333ens_1GLYGLYC466
d_334ens_1GLNALAC468 - 485
d_335ens_1LYSASPC487 - 518
d_336ens_1LYSPHEC520 - 524
d_337ens_1ASPLYSC526 - 527
d_338ens_1SERGLNC529 - 545
d_339ens_1ALAALAC547
d_340ens_1SERPHEC549 - 553
d_341ens_1ARGCYSC555 - 557
d_342ens_1THRARGC559 - 578
d_343ens_1VALSERC580 - 590
d_344ens_1PROMETC592 - 612
d_345ens_1ASPASPC614 - 616
d_346ens_1GLNALAC618 - 623
d_347ens_1ASNALAC625 - 626
d_348ens_1PHEPHEC628 - 637
d_349ens_1PROSERC640 - 653
d_350ens_1LEUGLYC655 - 657
d_351ens_1ILETRPC659 - 685
d_352ens_1ALAILEC688 - 726
d_41ens_1ALAALAD5
d_42ens_1GLNGLND7 - 8
d_43ens_1LEULEUD10
d_44ens_1SERLEUD12 - 15
d_45ens_1ASPASPD17
d_46ens_1LEULEUD19
d_47ens_1PHESERD21 - 22
d_48ens_1ARGLEUD24 - 25
d_49ens_1ALAALAD35
d_410ens_1METGLUD40 - 60
d_411ens_1THRSERD62 - 70
d_412ens_1LYSLYSD72 - 73
d_413ens_1ASPALAD75 - 125
d_414ens_1THRPROD127 - 208
d_415ens_1ARGPROD210 - 224
d_416ens_1ARGASND226 - 232
d_417ens_1ALAPROD234 - 252
d_418ens_1ASPASPD260
d_419ens_1LEULEUD262
d_420ens_1ALAGLND264 - 274
d_421ens_1SERILED276 - 290
d_422ens_1ASPLEUD292 - 300
d_423ens_1HISHISD304
d_424ens_1LEUGLND308 - 319
d_425ens_1ARGPHED321 - 323
d_426ens_1SERSERD325
d_427ens_1SERTYRD327 - 361
d_428ens_1TYRTYRD363
d_429ens_1THRGLND365 - 368
d_430ens_1LEUASPD370 - 445
d_431ens_1ASNILED448 - 449
d_432ens_1ASPTHRD451 - 464
d_433ens_1TYRPROD466 - 470
d_434ens_1GLYGLYD472
d_435ens_1GLNALAD474 - 491
d_436ens_1LYSASPD493 - 524
d_437ens_1LYSPHED526 - 530
d_438ens_1ASPLYSD532 - 533
d_439ens_1SERGLND535 - 551
d_440ens_1ALAALAD553
d_441ens_1SERPHED555 - 559
d_442ens_1ARGCYSD561 - 563
d_443ens_1THRARGD565 - 584
d_444ens_1VALSERD586 - 596
d_445ens_1PROMETD598 - 618
d_446ens_1ASPASPD620 - 622
d_447ens_1GLNALAD624 - 629
d_448ens_1ASNALAD631 - 632
d_449ens_1PHEPHED634 - 643
d_450ens_1PROSERD646 - 659
d_451ens_1LEUGLYD661 - 663
d_452ens_1ILETRPD665 - 691
d_453ens_1ALAILED694 - 732
d_11ens_2UUE
d_21ens_2UUF
d_11ens_3UUG
d_21ens_3UUH

NCS ensembles :
ID
ens_1
ens_2
ens_3

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Components

#1: Protein
ATP-dependent RNA helicase HrpA / ATP-dependent helicase / ATP-dependent helicase HrpA


Mass: 89627.516 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli)
Gene: hrpA, BW690_16855, CG692_23570, CI693_20525, E2134_01085, GP671_21405, GRW80_21415, NCTC11022_01261, SAMEA3472044_04635, SAMEA3753097_00304
Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A167DLY9, RNA helicase
#2: RNA chain
ssRNA


Mass: 3629.032 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) Escherichia coli BL21(DE3) (bacteria)
#3: Chemical ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Formula: Ca
Has ligand of interestN

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 3.24 Å3/Da / Density % sol: 62.08 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop / pH: 6
Details: 8% [w/v] PEG 6000, 0.2 M calcium chloride, 0.1 M MES pH 6

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: BESSY / Beamline: 14.1 / Wavelength: 0.918 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 6, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.918 Å / Relative weight: 1
ReflectionResolution: 3.15→49.4 Å / Num. obs: 78441 / % possible obs: 99 % / Redundancy: 5 % / Biso Wilson estimate: 105.8 Å2 / CC1/2: 0.998 / Net I/σ(I): 8.94
Reflection shellResolution: 3.15→3.34 Å / Mean I/σ(I) obs: 0.49 / Num. unique obs: 12390 / CC1/2: 0.224

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Processing

Software
NameVersionClassification
PHENIX1.19.1_4122refinement
PHENIX1.19.1_4122refinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6i3p

6i3p


Resolution: 3.16→49.4 Å / SU ML: 0.726 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 36.0285
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2652 2096 2.67 %
Rwork0.2257 76279 -
obs0.2267 78375 99.03 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 144.84 Å2
Refinement stepCycle: LAST / Resolution: 3.16→49.4 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms23711 880 2 0 24593
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.004325099
X-RAY DIFFRACTIONf_angle_d0.76334104
X-RAY DIFFRACTIONf_chiral_restr0.04833885
X-RAY DIFFRACTIONf_plane_restr0.00564312
X-RAY DIFFRACTIONf_dihedral_angle_d12.04843823
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS1.08817581648
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS0.959851891238
ens_1d_4AX-RAY DIFFRACTIONTorsion NCS0.98413192859
ens_2d_2EX-RAY DIFFRACTIONTorsion NCS1.4372839209
ens_3d_2GX-RAY DIFFRACTIONTorsion NCS0.837243199218
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.16-3.230.59911330.59174859X-RAY DIFFRACTION95.25
3.23-3.310.47011390.52075039X-RAY DIFFRACTION98.91
3.31-3.40.44131390.40955071X-RAY DIFFRACTION99.29
3.4-3.50.34151400.35185095X-RAY DIFFRACTION99.58
3.5-3.610.41131400.33935107X-RAY DIFFRACTION99.73
3.61-3.740.39111400.32875098X-RAY DIFFRACTION99.64
3.74-3.890.32281390.26225074X-RAY DIFFRACTION99.5
3.89-4.070.28931400.23885084X-RAY DIFFRACTION99.11
4.07-4.280.2641390.21355079X-RAY DIFFRACTION99.28
4.28-4.550.25271410.20325125X-RAY DIFFRACTION99.79
4.55-4.90.23521400.17895100X-RAY DIFFRACTION99.37
4.9-5.40.22971390.19125089X-RAY DIFFRACTION99.11
5.4-6.180.27331410.21655133X-RAY DIFFRACTION99.47
6.18-7.780.26691420.21785161X-RAY DIFFRACTION99.38
7.78-49.40.19611440.17065165X-RAY DIFFRACTION98.04
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)
11.33611267868-1.970136291361.000171129692.26085955161-1.373448441752.862509034070.4351157427480.3307026288670.8016021159150.132019377537-0.298143190077-0.409760737655-1.15743449412-0.474131959422-0.0487311593561.65961918136-0.06244032589990.129082693971.26173797657-0.12601039231.7124109012358.751222704723.591555917158.1273877824
23.167814262050.08074952311880.9560836064883.43513086322-0.7303800327263.5376980663-0.159055457379-0.132100676323-0.01554820183980.384738969340.187275617336-0.273639786361-0.07776050049980.0338178310311-0.1240064988680.6963252647390.1009347253870.01508276995191.0510339838-0.2273977825261.1144623981259.6364080248-7.6932469273361.6326557513
31.34810693120.7718361513570.07361971448592.01156043422-0.3338643831931.24393713932-0.0729381080588-0.156942537903-0.860959683974-0.2355536796450.372933397591-0.6320282677060.88257706918-0.0789756919395-0.1384463549471.408872185810.2269222929780.03896639221581.234581101430.106248137461.53502554449.1393293358-37.079163019361.0338911997
43.44258486256-1.366754304441.232534356581.658668783271.076338593561.947384780540.4185257732510.805055153243-0.233465917957-1.10162366255-0.0580427659006-0.5588378944260.1295433409150.206756446721-0.07402160805280.916497673011-0.0340352274560.1778994382671.22980017551-0.07167387955811.0465275696747.8258464746-9.7467074440936.0398491428
51.643912706990.965080409599-0.4035285993583.380100080070.5225314179194.00566189516-0.112753647676-0.2509402757980.008054818120760.443650881380.1593110998250.5276334254950.562984828613-0.194995109325-0.1091583160430.8115657189220.05409393835330.1322515540681.011652719870.1163708212731.0357467964724.9952436782-13.549503209653.5264672517
60.70859220610.01063650314580.296500478019-0.155707833783-0.9912012379623.34514958109-0.05716015653630.322053622086-0.39739766379-0.5192732649090.4916842434020.114888482060.483770905019-0.490403062566-0.1699576011461.52648098817-0.411765424662-0.1372281304571.358766421850.1317950931451.267814925123.0803646097-20.659164378224.678939919
70.7247254928671.09846620581-0.2204477946143.351842547010.3972305849680.8806266380750.5911544121540.05928086689060.2330930116951.59074261796-0.253915721445-1.056480949750.0997968037893-0.158527779435-0.07439862481191.34178498250.03473099793740.03805318144821.199449307980.06747704829041.3353408025140.169645090328.591291089157.9819369928
81.940477755481.515604415420.04717243384443.347887179820.2162413221072.50820554484-0.161219954140.2486319979310.02958891778470.3032556721370.1496151536410.1238980467930.1082815478560.0061722897824-0.06026949482991.087927100210.07283354295360.1297841169141.039880036350.04174228389350.93612580656228.43576395877.8764540489776.8706239703
90.6642197350920.547324586633-0.2839361971383.4877215613-0.798019433781.062846670790.1092182894840.0372367065173-0.07051458630790.8787482277210.04723296708050.458178346625-0.2951837794-0.269676373128-0.05382813816521.43681701930.142043843480.1981268931571.20503571545-0.03052768577521.1359516924617.5435638211.2325337502897.0823061778
102.303117794062.4006958651-0.6601558734783.67615137975-1.071730003921.267074074740.271975563048-0.009700431193360.05199575571570.833753021336-0.2032900541090.300061063575-0.144501965652-0.038368606704-0.07031476066081.322199498920.01865986873080.09979770731651.03518617066-0.04806823968171.1529758674126.0672090274-6.31490626976101.046409277
113.607293474970.089430248463-0.5747130539520.743418085220.2402410989560.8937076013491.0268420817-0.6406289458950.1328043597040.754972186851-0.3783923587150.0981456568069-0.574416990148-0.0760786738007-0.0946684978561.71595066421-0.02220502711790.03023983334181.03484731148-0.1113769812111.4308847050647.132944407619.45955993798.5072852959
121.90468550424-0.1909428818761.577852445513.56839849632-0.3844234668372.627808586990.277543166-0.309103527777-1.01780526667-0.116722430314-0.201115334499-0.7067111384811.15349970072-0.0704220094267-0.1439307393131.64055904824-0.0360755094175-0.2174443753431.10463367209-0.09353278383621.5788842265854.2463971512-11.622103456396.4443182747
130.3622059192740.0548691320218-0.4802193755651.660082081070.00158083068411.395653277170.2095676546220.104647588773-0.384673786641-0.126554729367-0.487609946624-0.838281949618-0.1419849974110.734171047687-0.1494442833511.39808825993-0.138745522892-0.1500264917921.1063518077-0.01385918932541.3077392413458.3849629042.6047677704595.7610232312
140.9277355523940.09579792344821.464329660871.322646661091.699118652021.269531877890.423440330731-0.249770949937-0.2055961380420.513568249168-0.150638040007-0.6088261985160.3320687079520.157497277232-0.153734210551.98715965017-0.280962750485-0.3072098389381.323468093590.07123224136781.3654276740560.019812464513.257684132120.861432185
151.44329123529-0.6023207565050.9257844520020.953407131033-0.5479974709020.5228329526540.2562344345840.542141693951-1.45695905152-1.596867687550.0302733882717-0.7610104176971.688078895660.621177254533-0.004416865998962.317955681410.435215456853-0.04006714508021.72533292794-0.08953524974681.62045348074-12.1583357354-24.850868333511.3242057047
161.28877412966-0.2548904164520.1757601871691.32764862285-0.214216073282.472619199530.03653713760940.4058634422430.0749888275948-0.00359779000537-0.188257137101-0.0776647858865-0.0589613549840.446839268583-0.03496369485341.18433958550.181863161123-0.2150341874951.461675720130.1490693564721.22511906368-6.260876855890.445919332129.7038799838
171.725761047711.199824996690.1863563571591.00673969631-0.1437668992732.326800789050.0323546861120.08413930215920.3282266413940.481871507875-0.171118484988-0.135092873303-0.511611177970.376478318168-0.0007586438640711.91752547551-0.0821171307764-0.2738047894021.380828949450.1793136049651.21162976426-9.1656262334411.006714767651.5567901738
181.99722267032-2.237279856910.7771671686441.14966128832-0.8749087427581.98498290792-0.0763733720962-0.170681959948-0.08057883379320.4556795599130.07853175614630.407916945319-0.680344095764-0.339479444578-0.01382214277231.900192845450.158563701754-0.1216825112821.216614604080.04402810592221.33997433362-25.8174984099-13.312138607763.4338160392
190.378260474246-0.498653997556-0.2362625382363.840285908340.6035647288151.93053367366-0.06358129322740.8726657222480.0146210370612-0.5863004774320.9916092430020.4238957977650.244848097071-0.4891285984910.002975455467692.109111678330.31441919703-0.4073694643791.47228902364-0.1088637707341.46113041839-31.8958153294-33.183155803114.1704020135
201.287049481710.5729905585751.347096505321.84216214176-0.1862457253151.661693547030.1301097269080.333900253991-0.931001958362-0.1593746058070.0505172245630.2556769063211.462838617510.4188919471030.0489306778872.005690845240.4332033262250.04815649516381.4910348740.1556630135661.42795300912-40.0855857707-21.693695201328.5189197312
211.063768140050.749988821897-0.3299644768511.884791648741.391758537232.287302063730.304935091344-0.0728479604731-0.04723214461030.573534313617-0.1654717307010.01610556018960.538268463041-0.1618272038460.0231269258621.618029751640.338153276926-0.1686535298481.323071567840.06155876058061.21706460194-42.2928046778-7.1065273196321.5326917561
222.29490008447-1.028698772470.8115540976731.29126250602-0.6645461208731.087261669880.119424145893-0.1762794095540.0167768784234-0.608611435318-0.07467250830340.750986637773-0.487460333294-0.5233102585360.08456255026491.427571560210.350869427370.1087046620221.33034984659-0.007385843124261.19807151419-57.523350196213.633163177421.6955262474
230.590295473918-0.304518844014-1.584924111862.058823235540.2056133863052.021669192590.06559867685430.117573618317-0.121971587605-0.365316986422-0.4882795104910.885176577732-0.136483957296-0.6710484456480.09031218270321.479934880430.41736637979-0.01082651780661.46479625269-0.1191690766261.37978785214-52.647523533116.277546474818.1662859639
242.855077818910.3698881541040.4567954192142.078520318010.5140499630152.395863478890.2447453517610.07580864584560.10140270313-0.200571665563-0.123604874122-0.101255743136-0.2362573206910.298939326275-0.008089442103471.366633955960.3532279419340.04230552773321.1944918861-0.003360633091890.921512891266-29.67057458412.12013066153.1567385396
251.356506702911.010185916830.2336396557711.087858613790.9194834027652.91320147747-0.193020037503-0.146742928857-0.0567458566514-0.1655752087850.1986471894360.350022895374-1.324099958580.355829825281-0.001113501948752.042292717740.2890299260410.01423368665891.15931317150.04458818309011.05700065399-36.396924777619.9313652973-21.9366496639
262.6855459020.6897531250621.361826483941.07038492677-0.9412214662251.50616184568-0.8623022092040.45178102156-0.0837464030567-1.777217032551.746524416671.267868300461.0143685952-1.89526586026-0.08384457624331.93720223078-0.427374805026-0.3061486681221.751366178020.3704045696921.8255159621733.0312918236-27.207840416550.7302687219
272.44327161354-0.2525296513931.095676836160.500272998305-0.6074583365142.06718967027-0.220070649955-0.525911967510.07223346389851.62777749881-1.20338086245-2.598812522110.3588295202780.7951461256980.1033054904712.08635131721-0.137871760586-0.2803100615391.498061845680.2336579874892.0115819537242.8862149231-4.72584221177105.916670781
280.548540998905-0.273259872229-1.525583344490.04303827236430.4635902394763.47304242812-0.50839551694-0.493549252397-0.5219726300342.04449958815-0.9721926057960.334064163057-0.194043291125-0.4853759905550.04268694362262.27116714036-0.00761366141396-0.340957215391.50860737569-0.02006722480631.96676395612-18.95003872181.7538790313655.4098642362
291.427520763980.7487649890220.2369391969171.30133985988-1.634830721312.61856872274-0.3718231496880.2316937410880.182495563364-1.06337751340.579910190432-0.653359667797-1.356191527640.04753503260770.05859636585181.867326647930.4215002548570.01011383701351.62022843711-0.2074468524841.42586630273-41.320128545517.39134711528.27076049739
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 2 through 67 )AA2 - 671 - 66
22chain 'A' and (resid 68 through 249 )AA68 - 24967 - 248
33chain 'A' and (resid 250 through 426 )AA250 - 426249 - 417
44chain 'A' and (resid 427 through 487 )AA427 - 487418 - 478
55chain 'A' and (resid 488 through 637 )AA488 - 637479 - 628
66chain 'A' and (resid 638 through 753 )AA638 - 753629 - 744
77chain 'C' and (resid 4 through 67 )CB4 - 671 - 64
88chain 'C' and (resid 68 through 216 )CB68 - 21665 - 213
99chain 'C' and (resid 217 through 288 )CB217 - 288214 - 285
1010chain 'C' and (resid 289 through 443 )CB289 - 443286 - 440
1111chain 'C' and (resid 444 through 511 )CB444 - 511441 - 506
1212chain 'C' and (resid 512 through 587 )CB512 - 587507 - 582
1313chain 'C' and (resid 588 through 637 )CB588 - 637583 - 632
1414chain 'C' and (resid 638 through 754 )CB638 - 754633 - 749
1515chain 'E' and (resid 8 through 67 )EC8 - 671 - 53
1616chain 'E' and (resid 68 through 270 )EC68 - 27054 - 252
1717chain 'E' and (resid 271 through 472 )EC271 - 472253 - 454
1818chain 'E' and (resid 473 through 755 )EC473 - 755455 - 731
1919chain 'G' and (resid 7 through 42 )GD7 - 421 - 32
2020chain 'G' and (resid 43 through 92 )GD43 - 9233 - 82
2121chain 'G' and (resid 93 through 216 )GD93 - 21683 - 206
2222chain 'G' and (resid 217 through 313 )GD217 - 313207 - 300
2323chain 'G' and (resid 314 through 442 )GD314 - 442301 - 429
2424chain 'G' and (resid 443 through 637 )GD443 - 637430 - 619
2525chain 'G' and (resid 638 through 753 )GD638 - 753620 - 735
2626chain 'B' and (resid 4 through 15 )BE4 - 15
2727chain 'D' and (resid 4 through 15 )DF4 - 15
2828chain 'F' and (resid 6 through 15 )FG6 - 15
2929chain 'H' and (resid 6 through 15 )HH6 - 15

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