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- PDB-8uta: yjdF riboswitch from R. gauvreauii in complex with proflavine bou... -

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Basic information

Entry
Database: PDB / ID: 8uta
TitleyjdF riboswitch from R. gauvreauii in complex with proflavine bound to Fab BL3-6 S97N
Components
  • Fab BL3-6 S97N heavy chain
  • Fab BL3-6 S97N light chain
  • yjdF RNA (R. gauvreauii)
KeywordsRNA / riboswitch / azaaromatic / translation / antibody
Function / homologyPROFLAVIN / RNA / RNA (> 10) / RNA (> 100)
Function and homology information
Biological speciesMus musculus (house mouse)
Ruminococcus gauvreauii (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.05 Å
AuthorsKrochmal, D. / Lewicka, A. / Piccirilli, J.A.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R35GM149336 United States
CitationJournal: Cell Discov / Year: 2024
Title: Structural basis for promiscuity in ligand recognition by yjdF riboswitch.
Authors: Krochmal, D. / Roman, C. / Lewicka, A. / Shao, Y. / Piccirilli, J.A.
History
DepositionOct 30, 2023Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 10, 2024Provider: repository / Type: Initial release
Revision 1.1May 1, 2024Group: Database references / Category: citation
Item: _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
N: yjdF RNA (R. gauvreauii)
R: yjdF RNA (R. gauvreauii)
A: Fab BL3-6 S97N heavy chain
H: Fab BL3-6 S97N heavy chain
B: Fab BL3-6 S97N light chain
L: Fab BL3-6 S97N light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)179,17014
Polymers178,6066
Non-polymers5648
Water00
1
N: yjdF RNA (R. gauvreauii)
H: Fab BL3-6 S97N heavy chain
L: Fab BL3-6 S97N light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)89,5857
Polymers89,3033
Non-polymers2824
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
R: yjdF RNA (R. gauvreauii)
A: Fab BL3-6 S97N heavy chain
B: Fab BL3-6 S97N light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)89,5857
Polymers89,3033
Non-polymers2824
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)63.873, 75.138, 95.727
Angle α, β, γ (deg.)87.250, 87.990, 87.720
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1chain "A"
d_2ens_1chain "H"
d_1ens_2(chain "B" and (resid 1 through 108 or (resid 109...
d_2ens_2(chain "L" and (resid 1 through 108 or (resid 109...
d_1ens_3chain "N"
d_2ens_3(chain "R" and (resid 1 through 75 or resid 81 through 128))

NCS domain segments:

Component-ID: 1

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_1ens_1GLUGLUCYSCYSAC4 - 2284 - 228
d_2ens_1GLUGLUCYSCYSHD4 - 2284 - 228
d_1ens_2SERSERCYSCYSBE1 - 2151 - 215
d_2ens_2SERSERCYSCYSLF1 - 2151 - 215
d_1ens_3GGCCNA1 - 41 - 4
d_2ens_3GGCCRB1 - 41 - 4

NCS ensembles :
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixVector
1given(0.903085706845, 0.400426293739, -0.155225607988), (-0.4092115449, 0.912006792264, -0.0280984409733), (0.13031545424, 0.0888954112805, 0.987479360918)25.2278311429, 17.2708506104, -40.4229158065
2given(0.933719660376, 0.300199366327, -0.195058802118), (-0.320071803507, 0.944078314274, -0.0791844499775), (0.160379663381, 0.136368900324, 0.977589835564)27.5545981358, 21.7661928229, -40.0270725079
3given(0.978787517512, 0.135675452499, -0.153516015945), (-0.107823473365, 0.978265573508, 0.177117379951), (0.174209914051, -0.156807650574, 0.9721431307)-42.1703622262, -26.9651332742, 57.4012770352

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Components

#1: RNA chain yjdF RNA (R. gauvreauii)


Mass: 41114.426 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Ruminococcus gauvreauii (bacteria)
#2: Antibody Fab BL3-6 S97N heavy chain


Mass: 24766.615 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Production host: Escherichia coli (E. coli)
#3: Antibody Fab BL3-6 S97N light chain


Mass: 23421.916 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Production host: Escherichia coli (E. coli)
#4: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Mg
#5: Chemical ChemComp-PRL / PROFLAVIN


Mass: 209.247 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C13H11N3 / Feature type: SUBJECT OF INVESTIGATION
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: 2.57 Å3/Da / Density % sol: 52.06 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7.5
Details: 0.1 M HEPES pH 7.5, 0.2 M ammonium acetate, 25% PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.97918 Å
DetectorType: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Jul 20, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97918 Å / Relative weight: 1
ReflectionResolution: 3.05→95.56 Å / Num. obs: 32504 / % possible obs: 95.7 % / Redundancy: 4.5 % / Biso Wilson estimate: 121.63 Å2 / CC1/2: 0.998 / CC star: 0.999 / Rmerge(I) obs: 0.094 / Rpim(I) all: 0.05 / Rrim(I) all: 0.106 / Net I/σ(I): 8.4
Reflection shellResolution: 3.05→3.21 Å / Rmerge(I) obs: 2.559 / Mean I/σ(I) obs: 0.5 / Num. unique obs: 4517 / CC1/2: 0.364 / Rpim(I) all: 1.364 / Rrim(I) all: 2.91

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
MOSFLMdata reduction
SCALEPACKdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.05→63.79 Å / SU ML: 0.6164 / Cross valid method: FREE R-VALUE / σ(F): 1.97 / Phase error: 39.0845
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2691 2004 6.39 %
Rwork0.2243 29350 -
obs0.2272 31354 92.58 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 167.08 Å2
Refinement stepCycle: LAST / Resolution: 3.05→63.79 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6646 5340 38 0 12024
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.007612806
X-RAY DIFFRACTIONf_angle_d1.191218585
X-RAY DIFFRACTIONf_chiral_restr0.08272291
X-RAY DIFFRACTIONf_plane_restr0.01071435
X-RAY DIFFRACTIONf_dihedral_angle_d12.60453957
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2CAX-RAY DIFFRACTIONTorsion NCS2.77907038844
ens_2d_2EBX-RAY DIFFRACTIONTorsion NCS2.14357746712
ens_3d_2ANX-RAY DIFFRACTIONTorsion NCS4.22628665468
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.05-3.120.4439870.43631204X-RAY DIFFRACTION53.41
3.12-3.210.37351350.41392041X-RAY DIFFRACTION89.25
3.21-3.30.40231340.37632065X-RAY DIFFRACTION92.12
3.3-3.410.39181460.36262208X-RAY DIFFRACTION96.99
3.41-3.530.37511540.31922199X-RAY DIFFRACTION97.23
3.53-3.670.35491480.32132180X-RAY DIFFRACTION96.96
3.67-3.840.35451470.31592218X-RAY DIFFRACTION97.21
3.84-4.040.34511540.29652203X-RAY DIFFRACTION96.8
4.04-4.30.28051520.25752167X-RAY DIFFRACTION96.83
4.3-4.630.26591410.21662198X-RAY DIFFRACTION96.33
4.63-5.090.23561580.21592099X-RAY DIFFRACTION93.42
5.09-5.830.27071480.20762243X-RAY DIFFRACTION98.23
5.83-7.340.28351560.21852170X-RAY DIFFRACTION96.59
7.35-63.790.19391440.14582155X-RAY DIFFRACTION94.73
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)
11.597631021011.142243615-1.257968709181.07018004476-0.643009847370.733374180527-0.0351024624486-0.3700159490350.643145761956-0.2485651081650.539411071394-0.0244701011922-0.491181148544-0.5196082509640.006074287707781.266782106540.17347276594-0.1874189061620.867529293222-0.09417942866870.962580833919-43.528775668913.307753493215.3983918293
23.79210193142-0.5509091678240.232978569082.206099696270.6809491405121.40967601645-0.294740622927-0.72985237048-0.0907077069873-0.3382749376310.148103073214-0.112735619915-0.0588535079101-0.6342383419826.39444786565E-80.8010713210.147375877145-0.05420111578580.784881473381-0.00461204913970.885958421626-47.45996964255.2872279148514.2619547247
30.3116193297790.186100548084-0.3274708828570.5860671612770.4496174229890.749684990393-0.9129487870040.2904291956861.118781473890.0221285695581-0.0661748200248-0.07129375047332.245439082032.32481281349-0.01260286760521.4135801573-0.0125037906694-0.10115590061.023040188120.1390670313990.941889550299-34.16276763145.441602833532.80755529219
41.43918720352-0.5137131419130.1863890252123.14709002765-1.050322872984.30228321681-0.160313119763-0.08192478031850.5592038182141.612203091510.551631669522-0.613228695231-1.870093546-0.7300519661081.10293016931.420210086610.00257727207147-0.3600452056620.731231280661-0.2391653382751.11942627627-32.3031281585.2287677319242.9969151627
51.21901696282-1.43730774366-1.740728256771.602108231472.059184475952.36399128504-0.4035980217281.024176685330.1586072293221.308366471280.551981397396-0.712677378686-0.769867320881-0.5943390902720.03906359715411.318697675780.140665686945-0.3232661656810.9063517286190.08378859552421.56701876653-30.00516424545.5650901436639.1227877423
61.010485485280.928615130283-1.123347566970.785743344671-0.979791755371.15503837377-0.92067540767-1.154250718951.59382106323-0.02578945648380.378163174201-0.332867241629-1.92659317211-0.316738121819-2.9010503039E-62.066118925080.191061492583-0.1966983200111.44170234353-0.3069712691961.94554925282-24.944384188813.03374987446.8715232048
71.56999240277-0.770216577569-0.5018214355621.16302260891-1.299491133171.25787518169-0.266233719881-0.09512807982840.8855362665790.2076988490570.622562657139-0.0313717933413-0.223533799202-0.2416624200367.83355736292E-71.14397908776-0.0813322678737-0.03379490308730.9767840705820.06982462502930.947252409063-11.67981089647.3422274723-31.6640450952
81.89495489891-1.76933070617-0.4392448195392.104456507081.188934610431.05542804937-0.6028972124060.181599746112-0.5687205969350.227801880328-0.03751747314780.0847618254234-0.9122517292690.185514784731-0.0008349101439410.613259016248-0.1638937278880.02076913467320.9445496715770.1619106404990.857411852246-16.531154090237.8943051255-35.1549082169
91.61599897109-1.24371375904-0.6979883948461.33028514005-0.213353766591.509133596910.6400268897650.2288479963720.3530886246850.210031535596-0.8954746140090.64039482029-0.733895459236-0.4868875752350.02365602680850.601864873549-0.0184782002937-0.00596363229810.9545541953140.1759653165681.10141553901-19.916099875245.8762744415-33.8509081641
100.711667869304-0.740824467697-0.3426529138691.732978512920.04750951284270.176505713686-0.631935310455-0.487991157465-0.320997860476-0.5180232684110.4983542990420.1763970876180.346672382452-0.131871440072-0.1875443118580.420213709892-0.1965174409060.1944219063361.084362603570.1491207383330.927561230683-17.432137593439.2597457542-27.1125702988
110.0961907453480.35202583460.1646279655330.6040238085310.3515660485880.181045100377-0.7936813783430.596022942380.5349393354390.3617396835470.6052643795360.0778774379808-0.3148434778330.506975665275-3.95080721336E-71.19675319640.00410493134124-0.1722432531671.34748666647-0.04765418126551.06388525475-4.833425281836.3897639472-43.5759043134
120.3531651564040.5942099009670.489713016761.061011736881.560287440692.921169597870.297856187381-0.170671989399-0.745928464077-0.3391669349730.4523549530340.536087819597-1.532625182690.492519774716-0.1133169350920.9127890834340.1992812456130.4788759077861.024309881910.1099833158451.50480817956-15.561237631642.7092933189-13.8766873723
130.8302478630930.6716827629950.07664736811790.503890665587-0.08129037831231.195944302840.78516895105-1.97177990514-0.624738387355-1.521354283430.7995575001230.7884171969491.6414068632-0.9731852246470.0007957347017811.01535484271-0.115582471040.05641281358111.58930537529-0.3415932381221.50357728695-3.2825374324127.49172059179.0853133645
141.270052219940.306721582368-1.287680374331.73027696186-1.369225231071.77293841535-0.0507387576498-0.8275177089370.8000922628131.089177967020.864745032325-0.6624745355590.157081503326-0.9938244067690.1029219101830.779037346818-0.0965854099513-0.08559001855621.29024418773-0.2343772859171.16542609806-3.9971514306429.90632783282.28813226525
151.70081602559-1.65340141383-0.53737634421.93715523382.054587254492.734154523321.053354110330.8655996523760.5505396160210.0867217706317-0.179555252356-0.961258768505-0.155108318948-0.1311715271080.836739978270.532288114183-0.1098135658450.2818148349970.7939954236960.09129891432181.22644144318-3.4168823523333.5917817674-2.93922285156
162.8860255967-0.422215611510.5175499973192.04639054761.59935166161.30922164265-0.822393747197-1.281265413791.8701036785-0.08746220552281.46347290136-0.9340883798150.661105469146-0.2448785307170.09974709498881.18925903353-0.1983174233770.2247102980981.5139238637-0.3662823831821.67189944041-1.0296913923438.4051167446.17833151136
171.00604866730.640050484692-0.3560704023061.120535961180.3278202112860.9900570556110.463000955343-0.0441933943392-0.383119849792-0.084750721540.131332846001-0.564818883411-0.03318824890340.226108160463.23000715858E-71.48084795315-0.2007774690170.04210308788821.54551879342-0.08294889870271.3612486668-38.43315599426.7400690745-110.340574258
18-0.3275496484191.761149639021.22546517325-0.01757251409390.3955141357880.4587446718530.0529132826102-0.374860640234-0.631709370724-0.8575872358090.01503387023720.0686664765718-0.666659423768-0.07800196199546.49276375479E-81.692383962670.189632463228-0.2077766608351.81708807656-0.1242984969731.47795209486-22.736491705135.0469000059-68.7025303035
190.7436257028081.88576245082-1.056000634991.75678430946-1.93032131222.16138068351-0.110532629092-0.216421882267-0.5370419197830.179882430565-0.0121005327309-0.4822240929-0.633403980809-0.637398720951.41814943012E-92.402823196330.159940597053-0.159710929071.51237900608-0.03146883569931.59236045367-43.321232092926.8702329476-74.5665203446
200.804751941123-0.885879468992-0.02892184421291.124467023331.136057155071.50742241796-0.0207601847897-0.005829722457920.194646522387-0.2587732598690.080128903585-0.19725767909-0.188046289677-0.1145515937133.79331438548E-91.81305219463-0.00734495994537-0.03767807319871.46415899485-0.06668580789741.52689425565-48.126009235635.7487521272-99.0675763909
210.3218928226650.07036730176250.9790802693731.88687617196-1.014053597292.65134824849-0.335873691777-0.85507909598-0.1621317630521.625377239920.549047819293-0.1310624967762.094158592560.2702165119950.1403352691651.890511789180.57331554034-0.1215206318450.974167047649-0.1213914428821.07403915228-30.4288536682-13.970676957313.5198765744
222.3300850559-2.197183212380.8172248986853.27210088058-1.875996527271.33842795149-0.381463783139-0.157546552935-0.03019149835420.08425392400530.2229428130110.1661742496020.8207400152290.6264852551725.22149108524E-80.9382075664560.2942415444580.07348732687190.844514703457-0.01176757811370.98038018507-30.3396019277-5.760064461989.23573210198
230.0185012230142-0.123744260649-0.007774289521720.3934543345890.2656283480060.2449444952880.4347076300820.286490219831.36665612441-0.2894759760920.134692326363-0.873149445111-0.9277844630340.3862829490891.05539607753E-52.249628325250.408380571566-0.307308204961.65913412049-0.2601370342141.83435130537-17.9747324346-10.516234430628.4315484349
241.701490865571.0349270690.9872219989221.934101122290.2590842798980.989271460495-0.42755214082-0.840372960784-0.2428980642311.010042876521.6427309002-0.6974505679921.171408531340.2177939547230.04669598201842.066163498240.579150591264-0.4070778424211.559736475150.02262342575031.40296659983-27.3261983662-5.0146736895247.9884442755
250.1298143782310.0336932404996-0.08797740110670.3353267016170.1168038789720.1101944637691.84575139845-0.960497349430.4786362662781.244116234360.03707916888471.08045883873-0.528149804241.243034622650.02258458317241.57254541826-0.0690633868372-0.2390048038930.9700998186350.1724115463271.15428507071-33.5444711517-11.657679671749.2717647046
260.18379131156-1.35034242105-1.430486632879.350745077659.715729812281.97952114929-1.093432135270.4303100456132.11475565313-0.0121080446856-1.626908545620.5852141283940.2059104895340.787570851794-3.980866323461.330757358560.375095435959-0.5410151580711.165862436520.4911399169892.34052718777-19.695495319-3.3544488284330.9144803606
272.38233565923-0.0933302222561-1.423469871570.1127623132870.421596533073.35619747127-1.00138084381-0.147282272744-0.09445429861271.097603662710.914679433675-0.4079816582341.43690711695-0.521565270398-0.8881732583342.118113064110.782961819594-0.5003694156731.00015082577-0.0115493426670.952785159435-27.4649942071-8.6565825738254.1133599961
281.48614306108-0.621920770588-2.206132484130.2287518999310.7313855864453.00523501820.3889850243210.429669666877-1.890089042790.27899695605-0.004611133298280.6251601562241.004173930580.254220612756-3.02105520011E-61.204166503390.0303463079492-0.03173085269830.976476233843-0.1186079263971.14985009477-7.1050465789617.5365669598-32.2216273766
291.01580423797-1.439341617730.6796117605632.38130323541-0.7646767055892.388963523080.2255065776420.298333631235-0.1237483636570.152357522094-0.2795102658220.00175486743190.1435983106450.5658092143059.36839950251E-70.607403615109-0.0145411072518-0.01930899606620.981066214931-0.0518438039560.71363600028-2.97508083427.7765704347-37.5523952616
302.021983159841.644199036290.0539483542321.93582100485-1.224805476681.685780363420.08809740562680.1328311134160.2304627485170.03606064786490.03737654692240.4466984440120.730263110970.408414406578-1.70136581142E-61.043809253070.079568373262-0.05618759871540.894652516168-0.1375869563670.90447683114-5.4689639163123.0791179369-35.7206151309
310.0631011413037-0.0407852050688-0.1911703943760.446481959606-0.08183575489980.2769092599161.3502513905-0.583290467568-0.905980575869-0.03670412139930.4273465716630.4230450205690.9462606368850.800227554511-5.1052224833E-71.10007810115-0.0540507004388-0.1175087140361.30100941575-0.01918511610671.070335770312.6242780407615.3251253296-15.6659170448
322.85417066628-0.7286322363111.085605809220.5188018482960.7744071176632.24738378340.689589909432-1.12643052801-0.786154301137-0.5066686829440.272377578510.1059949345640.373753923518-0.7892841362770.1978902061020.8931651147140.1433594856040.06563225498111.19943744027-0.03236466823571.05797954899-7.5237237845423.93995546272.0901936681
330.04416571186550.0368127841572-0.1613816088050.126417104059-0.1349961625460.199594489459-0.4434267525940.426579799639-0.5761347528131.656849894240.117041655993-0.04378092554260.2291497197010.5176158898323.05900262149E-51.60588837535-0.368957445261-0.1338669950031.292346111060.05562709533541.59846374708-15.82101965313.91782051332.72688612028
340.0386415787924-0.218071697515-0.2015226765080.7721637852120.8094122001120.7790918445831.47575936080.0965151969267-0.694626735386-0.139456333655-0.7642735473540.330904109354-0.8132991490460.2793995051694.5080275945E-60.880441532196-0.05341950899560.09081411061220.8694445628380.1966655673721.27392958185-3.9379728311822.4700775226-9.46054345458
352.175447190620.498323926971.69939486733.80635035464-0.8272069135242.25855257581-1.55454199720.235054596183-0.1623316623841.569347052460.2307719528190.3554987982190.331538166864-0.852664724705-2.803628380110.918928172591-0.3990752870390.552987099240.5585352103550.29283834160.757627480237-12.13108298317.71128834756.38182354692
36-1.32431342697-0.07666241985621.086835717220.580953960312-0.08604113529670.9983094188220.3405964267480.106605161598-0.103505355090.191646574807-0.136005635454-0.5261299841540.709375023540.1246023951721.45639312298E-91.93164920992-0.2066769991030.08263578121052.4145730672-0.2743266781851.69680747608-55.4250993399-10.3834998044-44.5888581604
37-0.8035162188631.637620057231.438080998290.2459389717621.355398206291.54228916635-0.3611089775360.710580231027-0.0902363027244-0.2738087081970.689847858078-0.0403220266891-0.2991871193880.8668531656020.008409726133430.931483140058-0.237611248751-0.1344044246611.31008908396-0.1327557711520.985798844657-52.9473456622-3.51056519159-23.5641744038
380.2829392269050.3355576121990.752714744763.81890227334-0.7123322360121.750267381041.120998223570.600562119398-0.2196020538880.9095199033930.3357995555620.0103369565062-0.2277532490990.1869905779110.2708560910961.80693300349-0.156411284905-0.002736041852851.757045916680.09553286613761.41095193562-67.808970689-11.0097831474-36.2878166137
390.568707987415-0.1546732070161.028285922071.25970769923-0.1250131052121.13879361481-0.370555187391-0.0132917241978-0.03539456239930.03001605774740.04866885728160.345415550581-0.0533139357331-0.1659905427624.05847352492E-92.612685066380.327515427920.137024752042.30226967774-0.1049011847622.06232426467-68.9149306762-5.38790590003-39.1818415205
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 4 through 36 )AI4 - 361 - 33
22chain 'A' and (resid 37 through 102 )AI37 - 10234 - 99
33chain 'A' and (resid 103 through 115 )AI103 - 115100 - 112
44chain 'A' and (resid 116 through 157 )AI116 - 157113 - 154
55chain 'A' and (resid 158 through 196 )AI158 - 196155 - 193
66chain 'A' and (resid 197 through 228 )AI197 - 228194 - 225
77chain 'H' and (resid 4 through 36 )HJ4 - 361 - 33
88chain 'H' and (resid 37 through 63 )HJ37 - 6334 - 60
99chain 'H' and (resid 64 through 86 )HJ64 - 8661 - 83
1010chain 'H' and (resid 87 through 102 )HJ87 - 10284 - 99
1111chain 'H' and (resid 103 through 115 )HJ103 - 115100 - 112
1212chain 'H' and (resid 116 through 131 )HJ116 - 131113 - 128
1313chain 'H' and (resid 132 through 143 )HJ132 - 143129 - 140
1414chain 'H' and (resid 144 through 157 )HJ144 - 157141 - 154
1515chain 'H' and (resid 158 through 200 )HJ158 - 200155 - 197
1616chain 'H' and (resid 201 through 228 )HJ201 - 228198 - 225
1717chain 'N' and (resid 1 through 20 )NG1 - 20
1818chain 'N' and (resid 21 through 50 )NG21 - 50
1919chain 'N' and (resid 51 through 85 )NG51 - 85
2020chain 'N' and (resid 86 through 128 )NG86 - 128
2121chain 'B' and (resid 1 through 26 )BK1 - 261 - 26
2222chain 'B' and (resid 27 through 103 )BK27 - 10327 - 103
2323chain 'B' and (resid 104 through 114 )BK104 - 114104 - 114
2424chain 'B' and (resid 115 through 151 )BK115 - 151115 - 151
2525chain 'B' and (resid 152 through 164 )BK152 - 164152 - 164
2626chain 'B' and (resid 165 through 175 )BK165 - 175165 - 175
2727chain 'B' and (resid 176 through 215 )BK176 - 215176 - 215
2828chain 'L' and (resid 1 through 26 )LL1 - 261 - 26
2929chain 'L' and (resid 27 through 62 )LL27 - 6227 - 62
3030chain 'L' and (resid 63 through 103 )LL63 - 10363 - 103
3131chain 'L' and (resid 104 through 114 )LL104 - 114104 - 114
3232chain 'L' and (resid 115 through 144 )LL115 - 144115 - 144
3333chain 'L' and (resid 145 through 156 )LL145 - 156145 - 156
3434chain 'L' and (resid 157 through 175 )LL157 - 175157 - 175
3535chain 'L' and (resid 176 through 215 )LL176 - 215176 - 215
3636chain 'R' and (resid 1 through 30 )RH1 - 30
3737chain 'R' and (resid 31 through 50 )RH31 - 50
3838chain 'R' and (resid 51 through 70 )RH51 - 70
3939chain 'R' and (resid 71 through 128 )RH71 - 128

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