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- PDB-9dsx: Crystal structure of the complex of M. tuberculosis PheRS with co... -

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Basic information

Entry
Database: PDB / ID: 9dsx
TitleCrystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and fragment DDD00107555
Components
  • (Phenylalanine--tRNA ligase ...) x 2
  • tRNA(Phe)
KeywordsLIGASE/RNA / AMINOACYLATION / PHENYLALANYL TRNA SYNTHETASE / STRUCTURAL GENOMICS / LIGASE-TRNA COMPLEX / CENTER FOR STRUCTURAL BIOLOGY OF INFECTIOUS DISEASES / CSBID / LIGASE / LIGASE-RNA complex
Function / homology
Function and homology information


phenylalanine-tRNA ligase complex / phenylalanine-tRNA ligase / phenylalanine-tRNA ligase activity / phenylalanyl-tRNA aminoacylation / peptidoglycan-based cell wall / tRNA binding / magnesium ion binding / ATP binding / plasma membrane / cytoplasm
Similarity search - Function
Phenylalanine-tRNA ligase, class II, N-terminal / Phenylalanine-tRNA ligase alpha chain 1, bacterial / Aminoacyl tRNA synthetase class II, N-terminal domain / Phenylalanine-tRNA ligase, class IIc, beta subunit, bacterial type / Phenylalanyl-tRNA synthetase, class IIc, alpha subunit / Phenylalanly tRNA synthetase, tRNA-binding-domain / tRNA synthetase, B5-domain / tRNA synthetase B5 domain / B5 domain profile. / tRNA synthetase B5 domain ...Phenylalanine-tRNA ligase, class II, N-terminal / Phenylalanine-tRNA ligase alpha chain 1, bacterial / Aminoacyl tRNA synthetase class II, N-terminal domain / Phenylalanine-tRNA ligase, class IIc, beta subunit, bacterial type / Phenylalanyl-tRNA synthetase, class IIc, alpha subunit / Phenylalanly tRNA synthetase, tRNA-binding-domain / tRNA synthetase, B5-domain / tRNA synthetase B5 domain / B5 domain profile. / tRNA synthetase B5 domain / B3/4 domain / Ferrodoxin-fold anticodon-binding domain / Ferrodoxin-fold anticodon-binding domain superfamily / Ferredoxin-fold anticodon binding domain / Ferredoxin-fold anticodon binding (FDX-ACB) domain profile. / Ferredoxin-fold anticodon binding domain / Phenylalanyl tRNA synthetase beta chain, core domain / Phenylalanyl tRNA synthetase beta chain CLM domain / B3/B4 tRNA-binding domain / Phenylalanyl-tRNA synthetase-like, B3/B4 / Phenylalanine-tRNA ligase, class IIc, beta subunit / B3/4 domain / Class I and II aminoacyl-tRNA synthetase, tRNA-binding arm / Phenylalanyl-tRNA synthetase / tRNA synthetases class II core domain (F) / tRNA-binding domain / Putative tRNA binding domain / tRNA-binding domain profile. / Putative DNA-binding domain superfamily / Aminoacyl-tRNA synthetase, class II / Aminoacyl-transfer RNA synthetases class-II family profile. / Class II Aminoacyl-tRNA synthetase/Biotinyl protein ligase (BPL) and lipoyl protein ligase (LPL) / Nucleic acid-binding, OB-fold
Similarity search - Domain/homology
: / ACETATE ION / TRIETHYLENE GLYCOL / : / RNA / RNA (> 10) / Phenylalanine--tRNA ligase beta subunit / Phenylalanine--tRNA ligase alpha subunit
Similarity search - Component
Biological speciesMycobacterium tuberculosis H37Rv (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.05 Å
AuthorsChang, C. / Michalska, K. / Forte, B. / Baragana, B. / Gilbert, I.H. / Wower, J. / Joachimiak, A.
Funding support1items
OrganizationGrant numberCountry
Not funded
CitationJournal: Eur.J.Med.Chem. / Year: 2025
Title: Different chemical scaffolds bind to L-phe site in Mycobacterium tuberculosis Phe-tRNA synthetase.
Authors: Gade, P. / Chang, C. / Pryde, D.S. / Fletcher, D. / Niven, S. / Magalhaes, L.G. / Robinson, D. / Saini, J. / Ibrahim, P.E.G.F. / Forte, B. / Wower, J. / Bodkin, M.J. / Baragana, B. / ...Authors: Gade, P. / Chang, C. / Pryde, D.S. / Fletcher, D. / Niven, S. / Magalhaes, L.G. / Robinson, D. / Saini, J. / Ibrahim, P.E.G.F. / Forte, B. / Wower, J. / Bodkin, M.J. / Baragana, B. / Gilbert, I.H. / Michalska, K. / Joachimiak, A.
History
DepositionSep 30, 2024Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 4, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Phenylalanine--tRNA ligase alpha subunit
B: Phenylalanine--tRNA ligase beta subunit
C: tRNA(Phe)
D: Phenylalanine--tRNA ligase alpha subunit
E: Phenylalanine--tRNA ligase beta subunit
F: tRNA(Phe)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)305,64741
Polymers302,3936
Non-polymers3,25435
Water24,4281356
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area40460 Å2
ΔGint-232 kcal/mol
Surface area111060 Å2
MethodPISA
Unit cell
Length a, b, c (Å)147.364, 65.032, 189.487
Angle α, β, γ (deg.)90.000, 110.864, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z

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Components

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Phenylalanine--tRNA ligase ... , 2 types, 4 molecules ADBE

#1: Protein Phenylalanine--tRNA ligase alpha subunit / Phenylalanyl-tRNA synthetase alpha subunit / PheRS


Mass: 37486.344 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mycobacterium tuberculosis H37Rv (bacteria)
Gene: pheS, Rv1649, MTCY06H11.14 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P9WFU3, phenylalanine-tRNA ligase
#2: Protein Phenylalanine--tRNA ligase beta subunit / Phenylalanyl-tRNA synthetase beta subunit / PheRS


Mass: 88867.234 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mycobacterium tuberculosis H37Rv (bacteria)
Gene: pheT, Rv1650, MTCY06H11.15 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P9WFU1, phenylalanine-tRNA ligase

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RNA chain , 1 types, 2 molecules CF

#3: RNA chain tRNA(Phe)


Mass: 24842.811 Da / Num. of mol.: 2 / Source method: obtained synthetically
Source: (synth.) Mycobacterium tuberculosis H37Rv (bacteria)
References: GenBank: 1251771558

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Non-polymers , 9 types, 1391 molecules

#4: Chemical ChemComp-A1BCB / ethyl (2R)-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate


Mass: 249.262 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C13H15NO4 / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical
ChemComp-MG / MAGNESIUM ION


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


Mass: 59.044 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C2H3O2
#7: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Na
#8: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C3H8O3
#9: Chemical ChemComp-DMS / DIMETHYL SULFOXIDE


Mass: 78.133 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C2H6OS / Comment: DMSO, precipitant*YM
#10: Chemical ChemComp-PGE / TRIETHYLENE GLYCOL


Mass: 150.173 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C6H14O4
#11: Chemical ChemComp-EPE / 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / HEPES


Mass: 238.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C8H18N2O4S / Comment: pH buffer*YM
#12: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 1356 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
Has protein modificationN

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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: 2.81 Å3/Da / Density % sol: 56.19 %
Crystal growTemperature: 289 K / Method: vapor diffusion, sitting drop / Details: ammonium acetate HEPES pH 7.5 PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.97918 Å
DetectorType: DECTRIS PILATUS3 X 6M / Detector: PIXEL / Date: Nov 13, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97918 Å / Relative weight: 1
ReflectionResolution: 2.05→50 Å / Num. obs: 208786 / % possible obs: 99.3 % / Redundancy: 6.6 % / Biso Wilson estimate: 24.45 Å2 / CC1/2: 0.998 / CC star: 0.999 / Rmerge(I) obs: 0.063 / Rpim(I) all: 0.026 / Rrim(I) all: 0.069 / Χ2: 0.951 / Net I/σ(I): 9.2 / Num. measured all: 1378418
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2CC starRpim(I) allRrim(I) allΧ2% possible all
2.05-2.0960.911103950.7040.9090.4010.9980.91399
2.09-2.126.50.749103300.8060.9450.3160.8150.91699.7
2.12-2.166.60.653104660.8420.9560.2740.7090.92499.7
2.16-2.216.60.543103190.8950.9720.2280.590.9399.6
2.21-2.266.60.45104100.9260.9810.1890.4890.96199.4
2.26-2.316.50.388103870.9370.9840.1630.4210.93999.4
2.31-2.376.40.326103460.9530.9880.1390.3550.94498.9
2.37-2.436.10.281102890.9570.9890.1230.3070.9598.6
2.43-2.56.90.24104630.9730.9930.0980.260.94299.7
2.5-2.586.90.192104310.9830.9960.0790.2080.95699.8
2.58-2.686.80.148104230.9890.9970.0610.160.95699.6
2.68-2.786.70.119103940.9920.9980.0490.1290.95899.3
2.78-2.916.40.091103620.9930.9980.0390.0990.96798.9
2.91-3.066.60.07104500.9960.9990.0290.0760.95899.2
3.06-3.2570.056104920.9960.9990.0230.060.99399.7
3.25-3.516.90.045104690.9970.9990.0180.0491.02799.6
3.51-3.866.50.038104250.9970.9990.0160.0421.0798.6
3.86-4.4270.033105360.9980.9990.0130.0361.05999.8
4.42-5.566.70.03105890.99810.0120.0330.95499.1
5.56-506.60.025108100.99810.0110.0270.69499

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Processing

Software
NameVersionClassification
PHENIX1.21.1_5286refinement
HKL-3000data scaling
HKL-3000data reduction
HKL-3000phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.05→48.86 Å / SU ML: 0.2371 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 23.5624
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2326 9898 4.99 %
Rwork0.1993 188552 -
obs0.2009 198450 94.31 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 40.12 Å2
Refinement stepCycle: LAST / Resolution: 2.05→48.86 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17391 3126 209 1356 22082
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002221710
X-RAY DIFFRACTIONf_angle_d0.505530331
X-RAY DIFFRACTIONf_chiral_restr0.03983571
X-RAY DIFFRACTIONf_plane_restr0.00473468
X-RAY DIFFRACTIONf_dihedral_angle_d15.46078947
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.05-2.080.30921500.2663099X-RAY DIFFRACTION46.62
2.08-2.10.30032250.24694192X-RAY DIFFRACTION63.14
2.1-2.130.27662500.2425153X-RAY DIFFRACTION77.89
2.13-2.150.29183270.24355730X-RAY DIFFRACTION86.57
2.15-2.180.29843280.24195952X-RAY DIFFRACTION89.93
2.18-2.210.27673230.22666021X-RAY DIFFRACTION91.62
2.21-2.240.26113170.22476304X-RAY DIFFRACTION94.25
2.24-2.280.253070.21686401X-RAY DIFFRACTION97.29
2.28-2.310.25713160.2256590X-RAY DIFFRACTION98.35
2.31-2.350.28793350.2236462X-RAY DIFFRACTION98.34
2.35-2.390.26023070.21536560X-RAY DIFFRACTION98.4
2.39-2.430.28363610.21126511X-RAY DIFFRACTION98.42
2.43-2.480.25973460.2156629X-RAY DIFFRACTION99.53
2.48-2.530.24673670.21826581X-RAY DIFFRACTION99.68
2.53-2.590.25783780.21476602X-RAY DIFFRACTION99.63
2.59-2.650.25283160.21526621X-RAY DIFFRACTION99.56
2.65-2.710.26753640.22156615X-RAY DIFFRACTION99.53
2.71-2.790.26253460.23326579X-RAY DIFFRACTION99.21
2.79-2.870.27723560.21996561X-RAY DIFFRACTION99.04
2.87-2.960.26493800.21436559X-RAY DIFFRACTION98.19
2.96-3.070.24893380.21696629X-RAY DIFFRACTION99.93
3.07-3.190.26493500.20926620X-RAY DIFFRACTION99.7
3.19-3.330.24053570.20446645X-RAY DIFFRACTION99.57
3.33-3.510.22853230.20096689X-RAY DIFFRACTION99.62
3.51-3.730.21033360.1916616X-RAY DIFFRACTION99
3.73-4.020.20763730.1746611X-RAY DIFFRACTION98.67
4.02-4.420.18113740.16066668X-RAY DIFFRACTION99.91
4.42-5.060.17733720.15446697X-RAY DIFFRACTION99.41
5.06-6.370.18713240.1786753X-RAY DIFFRACTION98.81
6.37-48.860.18883520.17446902X-RAY DIFFRACTION98.76
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)
10.000521371786277-0.0064078419375-0.006954964118590.004144032105750.008725530470930.0105921995973-0.02667406651-0.02873746412850.01452492695990.0338149417612-0.01267606663960.0487824428414-0.0256920323872-0.0203141800655-0.01807028516650.1867806198920.01032419125390.06510676127370.113333672395-0.1067072290970.170950066704-50.522443725213.64943701314.50802782082
20.000611149431685-0.00304486991270.0002768467567820.00248086492637-0.0001404137145070.00405216852913-0.0007361656619870.039278982157-0.0413159523036-0.02924642160020.00812961020192-0.04472475499850.05585089126630.0535693687214-1.35692811034E-70.225826058057-0.007598651525530.02489217819490.262678975413-0.03723777185070.152850407549-12.5386361844-2.3481681675-60.4197625546
30.00574152239566-0.00436885250662-0.006490331189010.00812888800541-0.0006176834565910.0116211078067-0.03355443448760.025431153497-0.04416987287460.0698141743120.0111398523956-0.0281212588956-0.0335725826862-0.00266281691092-8.66831031628E-50.214040691513-0.07041852627380.02132863467420.222659423532-0.02505045968080.122591665076-17.741643337810.9980010548-62.2583178218
40.001578762040080.00213139644326-0.002384244103450.00562867370535-0.003173058328090.0021314512154-0.04357412402040.0600468719274-0.01999971278470.0234594914884-0.000187522684679-0.00626472305998-0.0226766048995-0.0261827737432-0.009512580055670.21754594929-0.05257988896720.003819875746150.159091880546-0.03633912341090.0605592230197-15.66020258767.90699961935-55.7758102626
50.08691542272970.0640835810552-0.05083427283360.0517477778748-0.01399292079590.1035270390850.0394219860707-0.0336392673431-0.01847377477340.0534065365186-0.0320680700758-0.0444860600920.02859397307340.00616865012180.03770574574740.08757331878240.006304778274560.04008178120510.08639372891820.01196353890940.12659526937215.568039412320.0128079714-80.0976920776
60.109931545724-0.0160033927164-0.04512850018170.151166352246-0.04969522465710.02623003354110.06043086898860.235879864367-0.08726395936070.02143141987240.06829874798540.01618749571570.1394304665540.0831528572030.2596885779240.1368299133110.0115424061749-0.0454018414308-0.147241774602-0.05963455322550.084770799145-16.6484253549-5.98800655098-43.5938081329
70.00130897938871-0.00110032719916-0.00204878311994-0.0002000194260320.002313267943480.003800588377130.0004549511516-0.002016500548950.00659897268607-0.0292322177006-0.001604452215920.02113037286930.004301632020260.001927226721480.0002635216080810.160704161374-0.009063719242420.1081739686730.192212577342-0.01385056765480.18668918443418.592139432710.6457725673-44.3596941011
80.00109569027232-0.001097129244930.0009507693215070.006098742022820.002106430849670.004090310846060.002022156895160.002059691868530.0160283426978-0.00216457744566-0.00429125969621-0.005209439575350.0004490407011660.0215920364558-0.000324371182670.109772129448-0.01727681894080.1472595364740.182460402378-0.04043995108230.18072305491821.49471760314.6281129824-28.6434311197
90.0266171666818-0.02381791199880.02703570343470.0562499199995-0.009163120210010.022530037238-0.113350854579-0.0137461989345-0.05293045387250.005248190891620.0155647434982-0.1231982229110.003443042433430.0890894835367-0.05968382950370.1471879160140.09034074776190.07378991415670.288216162018-0.05796289638160.15725987323515.05439614329.52984175307-22.3177996037
100.000250687629703-0.000241830083517-0.0003767848503880.0001296925242043.40021435565E-50.000352336004472-0.01082161876210.003388551447670.00236507862516-0.000556025187718-0.002174713612110.00224481840297-0.002155482409859.77837627354E-51.74439732241E-60.4483240469550.01407222183350.02643620902620.454800694688-0.01514802627720.4284959796914.45759414179.72649285109-51.7627136417
110.0110664499713-0.01610679153410.008952651596040.0240800861398-0.01340447291610.004872436945950.064103214108-0.0368038275771-0.0109779180216-0.02685671268660.0232560806726-0.001199472980390.02209656009350.04804751496010.0192327712910.261200425057-0.0302034662316-0.04975719698810.412777284796-0.05788185412430.14228226231223.9871920611-5.7463552974-15.516174256
120.01470913725390.004743016044590.008657184730060.02441320291720.006156495313970.0469158295901-0.06014992499250.0573384419357-0.02055167540770.0557330460273-0.05351891079150.0754777315787-0.0318488484264-0.124625454457-0.02898515081830.1275280375480.0168346458151-0.0593682682640.235604504089-0.1005001235370.228816505096-50.26593079676.25945270387-43.6252255919
130.005124012136930.005488573726410.01036485390130.002493702450080.006164639920990.01428338563170.003983798913580.0853645720768-0.0465325907274-0.00340326818438-0.02139883019960.0005128122178510.0241040578993-0.0551544870949-0.03224198025220.138040106806-0.0147716827103-0.06190822930730.24077974944-0.1055025082210.228866424639-53.3238672187-2.14622220816-47.8782147784
140.04300970042310.02421510007470.05204443973530.04525123855790.02712316291380.0763300158570.0573173581271-0.00310259189778-0.05103616234110.04932085454450.01493034829980.02233682196550.06677213981520.004070071938240.04412502169410.117489533828-0.108749919904-0.05942019391650.4577331108450.007330557860210.136612362487-89.3319925091-16.0980387371-52.0876221676
150.08149723350870.02442383101480.03063499339620.0989576821266-0.03535695324330.03776302088170.0429382755244-0.03976557397740.01392404170470.01938740898180.05833986431230.0343385901964-0.00621157139816-0.0376135838570.1465343217810.0650913224044-0.05107587314990.03384983770380.51284583725-0.1292313839230.157904383511-90.37334566424.37089872842-55.8655210288
160.1220529231420.0766152884723-0.0594331065617-0.04343912685710.02909004567960.0531837432391-0.02606252685470.128943312790.002496364740250.02351506468510.02394193732590.0612440982831-0.161974873945-0.08766972722530.2155172524680.103507047002-0.038400911047-0.0802414457411-0.11024868415-0.1448787809390.119928046276-38.318552923217.0648268259-29.970116939
170.000662612769467-0.0008948536083730.0004325487497380.0009112899569580.000238390472589-0.000229818149370.002323061205990.004139191287870.00374429573821-0.03062129737960.011506280741-0.02288146230990.00285578032035-0.01203259748293.60570596004E-70.2862900894110.006519827070190.07118843102570.276253484982-0.008470157922510.363686252963-73.1140533385-3.06969406793-15.2696137942
180.01282606660650.0040944062302-0.005893876694790.00682149422950.006222860725270.0113685662837-0.00769980844322-0.01640092855970.00017299659424-0.00727311178964-0.0101074157096-0.01984952316360.0039766657778-0.0171866925179-0.009333767277280.168557188285-0.007375500004090.1589679959190.238766874016-0.01031668701460.43531249446-66.0325260392-7.18931716518-0.841429626119
190.005463249349360.000906011832022-0.00693139449281-0.00034478835702-0.0004562135366850.00860358034118-0.000363089785912-0.0308150851250.008640954506170.03153052634130.008587352964510.055323917488-0.0111812477628-0.007119949586360.0001908968589570.3988164550880.03248673199010.2052541925150.1857219534650.0003930422600350.290473399929-40.1978300751-9.836326476014.4491874624
200.000823173497699-0.0004252482020290.000410775712840.000177646975195-0.0001161429908980.000112258803504-0.005591780139190.001931523096140.00136842916705-0.00330149990099-5.65092579772E-50.00129554679299-0.00393571307421-0.00200197036091-5.81757792636E-60.4234818623010.0263581217970.07350918993460.430342834585-0.01605961408230.496548660508-63.14177489552.71925145802-3.2043181477
210.000553512935751-0.000205566462-0.0004633915665460.0001364382563893.24265354075E-5-5.20629655571E-5-0.00723410762720.00278065710694-0.0029660304316-0.00554892478491-0.001026120597330.00478259025468-0.01163986759620.000717045174257-4.4224781789E-70.6708666501550.0499895715640.05232223064550.728052276435-0.05023184119720.808416321427-78.78749486517.86482049247-2.64152406308
229.03645870416E-59.72313932128E-6-5.78397744267E-54.0982570903E-5-4.38282447577E-57.15843165251E-50.00174974164631-0.0007449724955480.00171814907324-0.0009929562714470.0015027300569-0.000241507131315.58837951601E-5-0.000103066937752.60953554736E-61.226548210740.000704361046068-0.0001376026818211.21609503564-0.01330031956991.22335268228-74.3611703991-1.90199568994-23.9934491432
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 0 through 110 )AA0 - 1101 - 97
22chain 'A' and (resid 111 through 186 )AA111 - 18698 - 173
33chain 'A' and (resid 187 through 285 )AA187 - 285174 - 272
44chain 'A' and (resid 286 through 341 )AA286 - 341273 - 328
55chain 'B' and (resid -2 through 394 )BB-2 - 3941 - 397
66chain 'B' and (resid 395 through 831 )BB395 - 831398 - 834
77chain 'C' and (resid 1 through 10 )CC1 - 10
88chain 'C' and (resid 11 through 25 )CC11 - 25
99chain 'C' and (resid 26 through 65 )CC26 - 65
1010chain 'C' and (resid 66 through 73 )CC66 - 73
1111chain 'D' and (resid 0 through 91 )DD0 - 911 - 92
1212chain 'D' and (resid 92 through 242 )DD92 - 24293 - 243
1313chain 'D' and (resid 243 through 341 )DD243 - 341244 - 339
1414chain 'E' and (resid -2 through 270 )EE-2 - 2701 - 243
1515chain 'E' and (resid 271 through 445 )EE271 - 445244 - 418
1616chain 'E' and (resid 446 through 831 )EE446 - 831419 - 804
1717chain 'F' and (resid 1 through 10 )FF1 - 10
1818chain 'F' and (resid 11 through 25 )FF11 - 25
1919chain 'F' and (resid 26 through 45 )FF26 - 45
2020chain 'F' and (resid 46 through 50 )FF46 - 50
2121chain 'F' and (resid 51 through 65 )FF51 - 65
2222chain 'F' and (resid 66 through 73 )FF66 - 73

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