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- PDB-9f18: Crystal structure of a first-in-class antibody for alpha-1,6-fuco... -

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Basic information

Entry
Database: PDB / ID: 9f18
TitleCrystal structure of a first-in-class antibody for alpha-1,6-fucosylated prostate-specific antigen
Components
  • Heavy chain rabbit fab
  • Light chain rabbit fab
KeywordsIMMUNE SYSTEM / antibody / fab / prostate-specific antigen / PSA / fucosylation / diagnostic assay
Biological speciesOryctolagus cuniculus (rabbit)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.52 Å
AuthorsHalldorsson, S.
Funding support Switzerland, 1items
OrganizationGrant numberCountry
F. Hoffmann-La Roche LTD Switzerland
Citation
Journal: Sci Rep / Year: 2024
Title: Development of a first-in-class antibody and a specific assay for alpha-1,6-fucosylated prostate-specific antigen.
Authors: Halldorsson, S. / Hillringhaus, L. / Hojer, C. / Muranyi, A. / Schraeml, M. / Lange, M.S. / Tabares, G.
#1: Journal: Acta Crystallogr D Struct Biol / Year: 2019
Title: Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix.
Authors: Dorothee Liebschner / Pavel V Afonine / Matthew L Baker / Gábor Bunkóczi / Vincent B Chen / Tristan I Croll / Bradley Hintze / Li Wei Hung / Swati Jain / Airlie J McCoy / Nigel W Moriarty ...Authors: Dorothee Liebschner / Pavel V Afonine / Matthew L Baker / Gábor Bunkóczi / Vincent B Chen / Tristan I Croll / Bradley Hintze / Li Wei Hung / Swati Jain / Airlie J McCoy / Nigel W Moriarty / Robert D Oeffner / Billy K Poon / Michael G Prisant / Randy J Read / Jane S Richardson / David C Richardson / Massimo D Sammito / Oleg V Sobolev / Duncan H Stockwell / Thomas C Terwilliger / Alexandre G Urzhumtsev / Lizbeth L Videau / Christopher J Williams / Paul D Adams /
Abstract: Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods to determine three-dimensional macromolecular structures, which are required to understand biological ...Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods to determine three-dimensional macromolecular structures, which are required to understand biological processes and to develop new therapeutics against diseases. The overall structure-solution workflow is similar for these techniques, but nuances exist because the properties of the reduced experimental data are different. Software tools for structure determination should therefore be tailored for each method. Phenix is a comprehensive software package for macromolecular structure determination that handles data from any of these techniques. Tasks performed with Phenix include data-quality assessment, map improvement, model building, the validation/rebuilding/refinement cycle and deposition. Each tool caters to the type of experimental data. The design of Phenix emphasizes the automation of procedures, where possible, to minimize repetitive and time-consuming manual tasks, while default parameters are chosen to encourage best practice. A graphical user interface provides access to many command-line features of Phenix and streamlines the transition between programs, project tracking and re-running of previous tasks.
History
DepositionApr 18, 2024Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jul 31, 2024Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
H: Heavy chain rabbit fab
I: Heavy chain rabbit fab
L: Light chain rabbit fab
M: Light chain rabbit fab


Theoretical massNumber of molelcules
Total (without water)93,4444
Polymers93,4444
Non-polymers00
Water543
1
H: Heavy chain rabbit fab
L: Light chain rabbit fab


Theoretical massNumber of molelcules
Total (without water)46,7222
Polymers46,7222
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3720 Å2
ΔGint-28 kcal/mol
Surface area18870 Å2
MethodPISA
2
I: Heavy chain rabbit fab
M: Light chain rabbit fab


Theoretical massNumber of molelcules
Total (without water)46,7222
Polymers46,7222
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3800 Å2
ΔGint-30 kcal/mol
Surface area18840 Å2
MethodPISA
Unit cell
Length a, b, c (Å)72.219, 66.735, 91.713
Angle α, β, γ (deg.)90.000, 112.087, 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

#1: Antibody Heavy chain rabbit fab


Mass: 23764.570 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Oryctolagus cuniculus (rabbit) / Plasmid: pUC18 / Cell line (production host): HEK293 / Production host: Homo sapiens (human)
#2: Antibody Light chain rabbit fab


Mass: 22957.355 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Oryctolagus cuniculus (rabbit) / Plasmid: pUC18 / Cell line (production host): HEK293 / Production host: Homo sapiens (human)
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 3 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN

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Experimental details

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Experiment

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

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Sample preparation

CrystalDensity Matthews: 2.19 Å3/Da / Density % sol: 43.88 %
Crystal growTemperature: 294 K / Method: vapor diffusion, sitting drop / pH: 7.5
Details: 100 mM potassium thiocyanate and 30% w/v PEG MME 2000 (poly[ethylene glycol] methyl ether

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Data collection

DiffractionMean temperature: 80 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 0.9998 Å
DetectorType: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Sep 26, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9998 Å / Relative weight: 1
ReflectionResolution: 2.52→66.01 Å / Num. obs: 19541 / % possible obs: 90.5 % / Redundancy: 3.1 % / Biso Wilson estimate: 74.63 Å2 / CC1/2: 0.999 / Rrim(I) all: 0.087 / Net I/σ(I): 15.2
Reflection shellResolution: 2.52→2.8 Å / Redundancy: 2.9 % / Mean I/σ(I) obs: 1.4 / Num. unique obs: 978 / CC1/2: 0.503 / Rrim(I) all: 1.089 / % possible all: 50.7

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Processing

Software
NameVersionClassification
PHENIX1.21_5207+SVNrefinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.52→66.01 Å / SU ML: 0.3938 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 37.5246
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2512 961 4.92 %
Rwork0.1836 18554 -
obs0.1871 19515 70.78 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 80.32 Å2
Refinement stepCycle: LAST / Resolution: 2.52→66.01 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6450 0 0 3 6453
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00846611
X-RAY DIFFRACTIONf_angle_d0.97219060
X-RAY DIFFRACTIONf_chiral_restr0.05221072
X-RAY DIFFRACTIONf_plane_restr0.00761154
X-RAY DIFFRACTIONf_dihedral_angle_d14.22962262
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.52-2.650.5683130.3828241X-RAY DIFFRACTION6.48
2.65-2.820.3502420.3845814X-RAY DIFFRACTION22.05
2.82-3.040.37991460.33062821X-RAY DIFFRACTION75.67
3.04-3.340.32431960.29053672X-RAY DIFFRACTION98.6
3.34-3.830.29881660.22233698X-RAY DIFFRACTION98.45
3.83-4.820.24161850.15693680X-RAY DIFFRACTION97.4
4.82-66.010.20232130.12863628X-RAY DIFFRACTION95.26
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)
13.197258983980.428226610181-0.3087852704732.23289589075-1.309428408485.11922135574-0.212373236338-0.5610844643380.1242369134760.6611951296340.00263458378617-0.529536971911-0.4575164823520.3593313886230.08497780043420.5564086313860.0727482073256-0.1878338120110.422397574868-0.09611955009470.57324362106620.6534741776-16.128512098835.455970399
20.616676857524-0.915771077720.365125745012.47493977578-0.8458555218554.471829770970.00844341286312-0.1542746914030.3535684975320.3383749891320.0391323835206-0.231682794038-0.2525251045910.308154339531-0.05599521605450.505648380040.000577942855908-0.1155897585470.392157579439-0.08034266521120.50306065726919.5417781594-20.583056484330.8521727609
34.64864351231-0.728632617936-0.0885506175023.614501957761.545109125415.246165425370.1986675258580.199524602951-0.7305541794350.427698021392-0.0220872148616-0.6480591719060.6542764590840.353371688106-0.2440018028120.5521703093850.0862863292637-0.1331435693350.363332092493-0.05506312459730.52072501801815.8120130056-49.227788520222.6391206044
44.40405622471-0.804851333062-2.431326632824.178319919441.620354917668.161603223450.2154348855340.156584271354-0.5006625900240.533821795821-0.1524580941110.1670015451410.854812917706-0.0765089955459-0.1477787673830.6889351312670.112882129788-0.1687844474550.4263578664790.006021586316040.59715899348114.1436440352-47.576438253526.368969019
51.879795405980.891824536391-1.330899657256.07446643230.7819192426322.433733932560.565243367068-0.518801738990.5251410692332.47512550847-0.5782356842551.37682100211.20489349516-0.1188841052390.0697298952691.460183586980.1277913405210.4954910475371.209404692030.09398009030370.83367857235646.3260258843-43.422678250636.5110905073
62.759859002680.1642966713010.02025744496950.059848040711-0.1981835178743.809141325380.0363634905151-0.768591672757-0.5574737215991.36004198078-0.2625862147150.4553628026850.9430087775630.1862378983440.1450480131521.0852929422-0.1412761943580.4024872444350.9581276532230.1151151037870.75762132148851.7661561495-48.021998181527.3027914703
76.5710921271-2.139100009180.7048015902780.77144530391-0.314416276170.170579623160.127785241785-0.2163229762660.757108442403-1.318165897680.1089907211460.04968246976910.5262572835661.716640123680.1582569792132.06745255508-0.5765600696530.2906676531771.73444843170.2332347574430.9944064053839.9708663002-59.169617165236.8531066195
82.925783549333.87336457717-0.08628678112146.01893303584-1.529499802649.82665042168-0.603717733657-1.4796937288-1.241369258081.140074651741.43874749544-0.5480767885030.861488071688-0.6517853840620.127563112631.57668820610.7892505086110.2847731123311.027467195180.3055504059920.86071420672654.7754373155-56.954092095632.5106750943
90.1200831000530.410968838385-0.3349143605851.35085867564-1.064360697210.7665875610790.16435761407-1.245188953570.3241723592912.336720727920.04139728022411.11772793515-0.0530698845213-0.3223739333670.179024695782.024506864230.2977682939261.076165573791.818420309530.3418276651990.97824598900345.0576780046-50.146527527239.8569713857
102.219133291111.497111665191.714191435176.472360094752.41101740611.63026973157-0.426310354789-1.43522261065-1.153616402482.035839199240.3262650132010.2811359304870.116793549482-0.546640271965-0.02514065110011.537839358320.4126874352060.1782409611781.410466369050.2007219576860.63421001479556.2691405693-46.506160401336.4997447591
116.26379656642-0.5699341311431.658437040513.930373153592.709059219662.547464713670.07095787519760.1747892030880.3143767496141.173049400190.9299105503030.7079140772670.171806722829-1.50314822295-0.2890832931710.964466256188-0.2835104073370.4750282566310.9412609615660.2530400828590.82475082207646.53186457-45.284475588828.8476692224
121.36982477154-1.753492794260.7234969337162.23132564415-0.8794033252572.3290065869-0.0199253776879-0.0702819368705-1.671980953052.20330034802-0.2216269825521.65408632970.320421498674-1.329747944990.5959610215151.37800470047-0.1242100901290.7914151506071.414501053680.05981289654481.5044313439733.6364534131-56.320358525523.7036755434
132.99497599509-0.806621705783-0.4657687377432.02270712796-0.2072557085353.13649837465-0.220100878171-0.678212575584-0.03846746010620.7278294129460.1821887582180.4457195323240.33152860426-0.9533721251450.03633937611910.628182693291-0.001916342296380.3304328014880.8131865959110.06694803734780.88466712286249.8327517586-41.217335769429.2837427197
144.67284620158-0.043625518830.6723615842014.80672815557-1.20994060595.281744472330.132962872193-0.7063468464110.3382353153090.623965950707-0.894495531939-0.8057653674951.272851222131.618165398320.2076583560380.8387226538470.0951324536458-0.02774083446021.01910803319-0.06728310139530.38343619678463.3507915158-21.846926380332.6374180474
152.86903895228-4.121753891580.3643792364246.95250892937-3.441312349479.474038893241.578591447481.58612264212.46720607964-0.999626250878-1.06473103768-0.722102112108-2.040206183041.594602358931.030750584881.422309578210.1058251200020.1480790575080.7422810516160.2269394295121.4980818961958.2917133708-3.2459155139412.2018698602
167.256077953960.574912909816-1.193793788796.779591545660.6039781367432.517071514110.568382422919-0.9835888657170.3152716693551.55855988673-0.5424359596420.7235775730960.04742901163510.315691225773-0.2677057253580.6278990670420.01754055631560.03452791722550.748940202211-5.04876471794E-50.44802053429356.1549674917-20.087864734325.5019972308
175.129441523171.29730466948-1.228480186385.683321545690.779137572998.58885590074-0.2189023618910.5911837421470.772841528561.05415670750.09332969499050.6679740748870.8258537136960.234412127597-0.1905001969850.6610853563280.09167694829260.1090725057520.5145033913770.03235881412220.50012986913155.2174189277-22.725992490522.4874239281
189.3721525504-2.034281099630.7527363324558.45490995652-1.250873040652.6455815817-0.117864296494-0.321040611421-0.07146713647511.420737511090.009213300096630.918640126013-0.5164462091890.257927681849-0.1740585468990.4924798101840.2237945542380.01071663675950.590543020335-0.03410664647650.36014323820754.8115995582-18.584558917720.4386979226
190.154423270202-0.2203780054190.0637998771390.330447612474-0.0942925751760.1374294703520.3893585089690.1677758493281.45110107644-0.083085582299-0.08127493310.538317355205-1.74940217202-1.14779751088-0.1665195489361.912106494490.4546071417310.0924480391891.059343868310.08589890515971.6316069486746.2047958987-3.4511055229619.5364797145
207.870901437130.283314800872-1.148254473095.356044465741.364813919889.681365757790.214045736897-1.222827099180.8903463411521.5389604150.513000489007-0.0284206819613-0.4238287493910.0111008380089-0.2094558806130.751911079499-0.1146976245780.1570985781680.945774075881-0.09646548433690.46855680708653.3366442251-19.539576855932.0006281589
217.92367411170.588352243324-1.206711873344.046736690781.275614454042.03203467964-0.0596526095079-1.56033775748-0.2213148339151.138147428950.2147014017180.307113841749-1.313515693140.22130794026-0.3616100880141.140212967320.198245203316-0.03504879064340.884280149831-0.1545264555720.94163653891853.8978820302-15.037885191733.2834444405
228.38449491993-1.196477884870.4846731803520.366406020051-0.9881623238444.294488904360.185915952393-0.1550997528482.95360383146-0.1964933707120.18238024311-0.472564372239-2.18959404815-0.39698080521-0.8582714727462.148461203760.718070310654-0.1359733947170.56634941512-0.1499208126631.5347061345658.2669281339-1.5033832453219.7088853052
237.68211799096-3.25354693264-2.56047184329.142526158870.2454873854594.583336241310.2226249030340.2457816977070.14591632062-0.5550708259420.154621404104-0.229281309114-0.7603845490580.3290890934370.02534160575920.2420770776450.02574047004620.0007089789984860.407570683518-0.04172668503020.35476848230519.3749291709-15.731177118.02557745734
246.046612256951.113700384740.1907084958966.314309114892.148302036687.08792372829-0.115913709286-0.5234663505260.2217749949260.2024742705790.292245169509-0.604969911985-1.039158746060.362262264024-0.01424974629310.7376349900680.000172132359302-0.06005549588370.481757204265-0.1331627310820.6648434712724.6626899494-9.8639866243916.9750287003
254.002915542961.42641344264-0.7720669305213.36828972746-2.15286190616.51560759454-0.0837645956569-0.240032578386-0.3651569723720.136926805224-0.827289278942-0.856771225339-0.04285163976531.305618590940.3037119566110.29582102374-0.0524181466479-0.08851352656910.484882724893-0.04676045180420.73814096894531.2437663543-18.259825098414.6494737006
266.040712498412.102889862241.39957971324.48216986551-0.8913208777346.5833064406-0.1659179582060.283683261197-0.367212023505-0.06591249880190.00107430864855-0.779509197916-0.5330527394420.2322269665420.1246190074090.3444924373410.02126266382910.05362148371280.400562134136-0.02421479163380.49573390538625.4095174163-17.585891691810.7590987701
271.761551519310.185864950997-0.5424435318976.356449150434.765646538864.88544299868-0.538530845058-2.634749942212.151065839971.94006993697-0.03937907581860.0654124253394-4.03610553335-1.537942103220.5672653501512.167021279550.0794994652049-0.1588939591061.00639472199-0.2135264621971.1727228992722.5245120054-0.23145398168128.6170227791
280.00417647666745-0.491476485954-0.5461460327089.684311063357.19954908465.275854665030.08641981437530.1073532829590.04222291144441.22805681796-0.8165787395050.8035929093610.695821386267-1.050109338310.6105216502570.4939930617240.0188380460843-0.09565334228680.55700676799-0.1578775464670.47132731500219.5319950977-20.274088051912.6027539491
291.182001080231.08211249201-1.72084798992.94250418317-0.08386987582116.50531415721-0.193649977079-0.1375697323330.119686325798-0.06025577453940.354998171567-0.0340302983691.43213344633-0.7322818100630.1520231347850.7207107668340.0778571449782-0.09066186630970.442194803697-0.09584641598660.5699554619728.86198379658-49.626994284214.8234622273
303.415599089233.14108872906-2.026374057825.56390656598-2.081766659495.28145768659-0.0343637273770.3430879244840.136087871916-0.1733639593490.2692015904360.2459043522330.0273721248887-0.5005925756380.005058818401670.4263215388520.0875976786531-0.07209897933090.498403854501-0.1402436204410.6164699534457.48778767937-43.74539391610.3345405691
314.343356783553.12056408947-0.6418778798736.10104306797-1.368983942373.873786059570.6250557191140.4814910532480.5869992087920.137613826521-0.2661606127131.2137666563-0.0154881395945-1.27961407558-0.1757037744670.6274576170350.2140168894170.07710422497170.8309303940220.003709543312980.873108385181-0.601210864337-42.136270522612.7250463294
322.425641418391.75897431582-1.427836766475.18834499377-1.089691252073.406968850260.01291324007640.0930969201886-0.07049094791450.0795049506175-0.1199905572650.3186901960610.116637093098-0.6760954095810.02074552311530.4990215881180.0509151494998-0.03685391470980.58402151831-0.1080762404810.5645920622036.22691218096-45.165894380911.813491626
334.519374898073.0931682306-3.253351766525.18975054736-1.726703309475.97072661299-0.2103427201030.361518439607-0.37273803459-0.07870531294010.3355345126860.6181534361640.938734880077-0.8484055926280.2559196925950.641681994988-0.164828058093-0.03351437979170.770237359314-0.04777424812110.5893111703373.71627369903-54.87128214268.99710328693
343.58103968276-1.088800435330.8336090671393.344629784710.08249045121097.164171376730.00891706803844-0.123179998274-0.4688169177710.302325282314-0.271528378450.4015451862070.575881595478-0.3637723634340.1316743851390.460488873944-0.08684415607380.1707596390650.4767838225360.132009437340.63412435108848.2713005527-48.825947883211.7755242267
356.029938005360.715126025738-0.1324474142716.111667708360.1484898247473.56951003496-0.253308959434-0.368395557994-0.3254698274280.503577708454-0.04012083902241.290008989830.844315539604-0.4264540293530.07818071428460.554613498617-0.05432299797920.1930337812640.5357485969190.06886362938940.59826648416142.5944172986-48.722790363710.1923096368
361.70117155812-2.028187372242.559803717593.67438927894-3.694498844868.007256737580.132894142814-0.921689277675-0.8579775171972.105830233641.131319702571.114612770874.016377630920.2547389459410.7761841775662.10085567211-0.05145653181720.6774821610420.4239801746981.223275094630.0076702321893950.0552277689-61.42859116626.1845595669
374.81041339321-2.963074409213.137427670643.698065380280.07415411188734.17705583102-0.965693294172-0.25019785672-0.11218143670.279164485536-0.661913609426-1.65390786121-0.4526690567541.470061404491.232087117040.3170829509460.1833848333440.03105425931080.5846751179270.1899098943840.64068070430552.5356119131-40.16667208547.35920085622
383.759118773081.13958090437-1.243351947088.697033740490.2403330301586.53119068756-0.0465087910756-0.6145038025-0.0181152025014-1.35180214864-0.0894953059160.518356021567-0.943659830777-0.613872744182-0.1151711638460.4383180301140.05637777405680.004325640984740.3731400397370.1924496843590.49149789143858.7416756062-17.0490475668.22557043526
392.46880344554.59304932195-1.208036000538.53877584712-2.247780968918.977791671420.403029380843-2.020117431350.2182080605552.03608323725-0.366067440337-0.457148522529-1.786946391540.3928628526440.01080272485471.46845241413-0.3809366978080.04113170655041.1031168831-0.1194963852270.57273979175269.6892923391-10.660577775228.2280188596
401.682853161850.236538312858-1.435557916464.994149283530.2414689761825.45614850426-0.0747938571149-0.3619458869970.07768511873910.1867989899530.0033285909128-0.305653476333-0.0876224295011.310796688490.05328740761010.4061680180210.104377636719-0.02037589269950.6641962000970.1413240823310.49341282486764.8380382661-21.478929674112.6183980015
414.345523670071.541425246140.6978149359428.162926585742.075738279165.35754142983-0.403611187498-0.528484746432-0.600943836722-0.1776890047670.336092188344-1.19815134097-0.3745034602322.76076805258-0.2366022092770.420228634817-0.172153048837-0.09163871062471.206745611760.1314949125960.63899904617271.3570347847-14.71965300898.98659994984
422.21798074295-1.839324122791.024979347332.37671320635-1.839771940144.031660033250.317791299406-1.124197365030.529971499776-0.00308259218333-0.858307719054-0.834779892276-1.257426659780.702909485787-0.06203816144250.783958589615-0.3445073979120.155980695880.8542586951050.004091669833230.75494737178767.5739102583-11.44526779497.68847445553
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'H' and (resid 2 through 83 )HA2 - 832 - 83
22chain 'H' and (resid 84 through 130 )HA84 - 13084 - 130
33chain 'H' and (resid 131 through 176 )HA131 - 176131 - 176
44chain 'H' and (resid 177 through 224 )HA177 - 224177 - 224
55chain 'I' and (resid 2 through 33 )IB2 - 331 - 32
66chain 'I' and (resid 34 through 51 )IB34 - 5133 - 50
77chain 'I' and (resid 52 through 58 )IB52 - 5851 - 57
88chain 'I' and (resid 59 through 68 )IB59 - 6858 - 67
99chain 'I' and (resid 69 through 77 )IB69 - 7768 - 76
1010chain 'I' and (resid 78 through 91 )IB78 - 9177 - 90
1111chain 'I' and (resid 92 through 99 )IB92 - 9991 - 98
1212chain 'I' and (resid 100 through 110 )IB100 - 11099 - 109
1313chain 'I' and (resid 111 through 123 )IB111 - 123110 - 122
1414chain 'I' and (resid 124 through 135 )IB124 - 135123 - 134
1515chain 'I' and (resid 136 through 145 )IB136 - 145135 - 144
1616chain 'I' and (resid 146 through 165 )IB146 - 165145 - 164
1717chain 'I' and (resid 166 through 186 )IB166 - 186165 - 185
1818chain 'I' and (resid 187 through 196 )IB187 - 196186 - 195
1919chain 'I' and (resid 197 through 201 )IB197 - 201196 - 200
2020chain 'I' and (resid 202 through 211 )IB202 - 211201 - 210
2121chain 'I' and (resid 212 through 219 )IB212 - 219211 - 218
2222chain 'I' and (resid 220 through 224 )IB220 - 224219 - 223
2323chain 'L' and (resid 1 through 25 )LC1 - 251 - 25
2424chain 'L' and (resid 26 through 38 )LC26 - 3826 - 38
2525chain 'L' and (resid 39 through 67 )LC39 - 6739 - 67
2626chain 'L' and (resid 68 through 91 )LC68 - 9168 - 91
2727chain 'L' and (resid 92 through 101 )LC92 - 10192 - 101
2828chain 'L' and (resid 102 through 113 )LC102 - 113102 - 113
2929chain 'L' and (resid 114 through 134 )LC114 - 134114 - 134
3030chain 'L' and (resid 135 through 155 )LC135 - 155135 - 155
3131chain 'L' and (resid 156 through 168 )LC156 - 168156 - 168
3232chain 'L' and (resid 169 through 205 )LC169 - 205169 - 205
3333chain 'L' and (resid 206 through 217 )LC206 - 217206 - 217
3434chain 'M' and (resid 2 through 48 )MD2 - 481 - 47
3535chain 'M' and (resid 49 through 93 )MD49 - 9348 - 92
3636chain 'M' and (resid 94 through 104 )MD94 - 10493 - 103
3737chain 'M' and (resid 105 through 113 )MD105 - 113104 - 112
3838chain 'M' and (resid 114 through 127 )MD114 - 127113 - 126
3939chain 'M' and (resid 128 through 134 )MD128 - 134127 - 133
4040chain 'M' and (resid 135 through 192 )MD135 - 192134 - 191
4141chain 'M' and (resid 193 through 203 )MD193 - 203192 - 202
4242chain 'M' and (resid 204 through 217 )MD204 - 217203 - 216

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