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- PDB-9d95: TRAV35/TRBV20 TCR - HLA-B38 complex -

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Basic information

Entry
Database: PDB / ID: 9d95
TitleTRAV35/TRBV20 TCR - HLA-B38 complex
Components
  • (T cell receptor ...) x 2
  • Beta-2-microglobulin
  • Epstein-Barr nuclear antigen 2
  • MHC class I antigen
KeywordsIMMUNE SYSTEM / TCR - peptide - HLA complex T cell Human Leucocyte Antigen Epstein Barr virus
Function / homology
Function and homology information


host cell nuclear matrix / protein serine/threonine phosphatase inhibitor activity / DNA-templated viral transcription / symbiont-mediated perturbation of host transcription / symbiont-mediated perturbation of host cell cycle progression / symbiont-mediated suppression of host translation initiation / antigen processing and presentation of peptide antigen via MHC class I / negative regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression ...host cell nuclear matrix / protein serine/threonine phosphatase inhibitor activity / DNA-templated viral transcription / symbiont-mediated perturbation of host transcription / symbiont-mediated perturbation of host cell cycle progression / symbiont-mediated suppression of host translation initiation / antigen processing and presentation of peptide antigen via MHC class I / negative regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / transferrin transport / cellular response to iron ion / lumenal side of endoplasmic reticulum membrane / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / peptide antigen assembly with MHC class II protein complex / cellular response to iron(III) ion / MHC class II protein complex / negative regulation of forebrain neuron differentiation / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / ER to Golgi transport vesicle membrane / peptide antigen assembly with MHC class I protein complex / regulation of iron ion transport / regulation of erythrocyte differentiation / HFE-transferrin receptor complex / response to molecule of bacterial origin / MHC class I peptide loading complex / T cell mediated cytotoxicity / positive regulation of T cell cytokine production / antigen processing and presentation of endogenous peptide antigen via MHC class I / antigen processing and presentation of exogenous peptide antigen via MHC class II / positive regulation of immune response / MHC class I protein complex / positive regulation of T cell activation / peptide antigen binding / positive regulation of receptor-mediated endocytosis / negative regulation of neurogenesis / cellular response to nicotine / positive regulation of T cell mediated cytotoxicity / multicellular organismal-level iron ion homeostasis / specific granule lumen / phagocytic vesicle membrane / recycling endosome membrane / Interferon gamma signaling / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / negative regulation of epithelial cell proliferation / MHC class II protein complex binding / Modulation by Mtb of host immune system / late endosome membrane / sensory perception of smell / positive regulation of cellular senescence / tertiary granule lumen / DAP12 signaling / T cell differentiation in thymus / negative regulation of neuron projection development / ER-Phagosome pathway / protein refolding / early endosome membrane / protein homotetramerization / amyloid fibril formation / intracellular iron ion homeostasis / learning or memory / immune response / symbiont-mediated suppression of host innate immune response / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / endoplasmic reticulum lumen / Amyloid fiber formation / Golgi membrane / lysosomal membrane / external side of plasma membrane / focal adhesion / Neutrophil degranulation / positive regulation of DNA-templated transcription / host cell nucleus / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity / cell surface / endoplasmic reticulum / Golgi apparatus / protein homodimerization activity / extracellular space / extracellular exosome / extracellular region / identical protein binding / membrane / plasma membrane / cytosol
Similarity search - Function
MHC class I, alpha chain, C-terminal / MHC_I C-terminus / MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Beta-2-Microglobulin / : / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / MHC classes I/II-like antigen recognition protein / : ...MHC class I, alpha chain, C-terminal / MHC_I C-terminus / MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Beta-2-Microglobulin / : / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / MHC classes I/II-like antigen recognition protein / : / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold
Similarity search - Domain/homology
MHC class I antigen / Epstein-Barr nuclear antigen 2 / Beta-2-microglobulin
Similarity search - Component
Biological speciesHomo sapiens (human)
human gammaherpesvirus 4 (Epstein-Barr virus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.8 Å
AuthorsZhu, S. / Petersen, J. / Rossjohn, J.
Funding support Australia, 1items
OrganizationGrant numberCountry
National Health and Medical Research Council (NHMRC, Australia) Australia
CitationJournal: To Be Published
Title: The ancient MHC class I molecule HLA-B*38:01 calibrates the immune system to protect against multiple sclerosis
Authors: Ladell, K. / Zhu, S. / Kaufmann, M. / Vivian, J. / Petersen, J. / Rossjohn, J. / Fugger, L. / Price, D.
History
DepositionAug 21, 2024Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 3, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: MHC class I antigen
B: Beta-2-microglobulin
C: Epstein-Barr nuclear antigen 2
D: T cell receptor alpha chain
E: T cell receptor beta chain
F: MHC class I antigen
G: Beta-2-microglobulin
H: Epstein-Barr nuclear antigen 2
I: T cell receptor alpha chain
J: T cell receptor beta chain
K: MHC class I antigen
L: Beta-2-microglobulin
M: Epstein-Barr nuclear antigen 2
N: T cell receptor alpha chain
O: T cell receptor beta chain
P: MHC class I antigen
Q: Beta-2-microglobulin
R: Epstein-Barr nuclear antigen 2
S: T cell receptor alpha chain
T: T cell receptor beta chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)394,10343
Polymers389,39720
Non-polymers4,70723
Water54030
1
A: MHC class I antigen
B: Beta-2-microglobulin
C: Epstein-Barr nuclear antigen 2
D: T cell receptor alpha chain
E: T cell receptor beta chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)98,61211
Polymers97,3495
Non-polymers1,2636
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
F: MHC class I antigen
G: Beta-2-microglobulin
H: Epstein-Barr nuclear antigen 2
I: T cell receptor alpha chain
J: T cell receptor beta chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)98,1709
Polymers97,3495
Non-polymers8214
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
K: MHC class I antigen
L: Beta-2-microglobulin
M: Epstein-Barr nuclear antigen 2
N: T cell receptor alpha chain
O: T cell receptor beta chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)98,93013
Polymers97,3495
Non-polymers1,5808
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
P: MHC class I antigen
Q: Beta-2-microglobulin
R: Epstein-Barr nuclear antigen 2
S: T cell receptor alpha chain
T: T cell receptor beta chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)98,39110
Polymers97,3495
Non-polymers1,0425
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)102.789, 124.060, 332.542
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 1 through 57 or (resid 58...
d_2ens_1(chain "F" and (resid 1 through 57 or (resid 58...
d_3ens_1(chain "K" and (resid 1 through 97 or resid 99...
d_4ens_1(chain "P" and (resid 1 through 57 or (resid 58...
d_1ens_2(chain "B" and (resid 0 through 2 or resid 4...
d_2ens_2(chain "G" and (resid 0 through 2 or resid 4...
d_3ens_2(chain "L" and (resid 0 through 2 or resid 4...
d_4ens_2(chain "Q" and (resid 0 through 2 or resid 4...
d_1ens_3chain "C"
d_2ens_3chain "H"
d_3ens_3chain "M"
d_4ens_3chain "R"
d_1ens_4(chain "D" and ((resid 3 and (name N or name...
d_2ens_4(chain "I" and ((resid 3 and (name N or name...
d_3ens_4(chain "N" and ((resid 3 and (name N or name...
d_4ens_4(chain "S" and (resid 3 through 47 or (resid 48...
d_1ens_5(chain "E" and (resid 2 through 16 or (resid 17...
d_2ens_5(chain "J" and (resid 2 through 16 or (resid 17...
d_3ens_5(chain "O" and (resid 2 through 16 or (resid 17...
d_4ens_5(chain "T" and (resid 2 through 19 or (resid 20...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11ens_1GLYGLYARGARGAA1 - 971 - 97
d_12ens_1TYRTYRHISHISAA99 - 19199 - 191
d_13ens_1ARGARGTHRTHRAA202 - 216202 - 216
d_14ens_1GLNGLNALAALAAA226 - 245226 - 245
d_15ens_1VALVALPROPROAA261 - 276261 - 276
d_21ens_1GLYGLYARGARGFF1 - 971 - 97
d_22ens_1TYRTYRHISHISFF99 - 19199 - 191
d_23ens_1ARGARGTHRTHRFF202 - 216202 - 216
d_24ens_1GLNGLNALAALAFF226 - 245226 - 245
d_25ens_1VALVALPROPROFF261 - 276261 - 276
d_31ens_1GLYGLYARGARGKK1 - 971 - 97
d_32ens_1TYRTYRHISHISKK99 - 19199 - 191
d_33ens_1ARGARGTHRTHRKK202 - 216202 - 216
d_34ens_1GLNGLNALAALAKK226 - 245226 - 245
d_35ens_1VALVALPROPROKK261 - 276261 - 276
d_41ens_1GLYGLYARGARGPP1 - 971 - 97
d_42ens_1TYRTYRPROPROPP99 - 27699 - 276
d_11ens_2METMETGLNGLNBB0 - 21 - 3
d_12ens_2THRTHRMETMETBB4 - 995 - 100
d_21ens_2METMETGLNGLNGG0 - 21 - 3
d_22ens_2THRTHRMETMETGG4 - 995 - 100
d_31ens_2METMETGLNGLNLL0 - 21 - 3
d_32ens_2THRTHRMETMETLL4 - 995 - 100
d_41ens_2METMETGLNGLNQQ0 - 21 - 3
d_42ens_2THRTHRMETMETQQ4 - 995 - 100
d_11ens_3TYRTYRLEULEUCC1 - 101 - 10
d_21ens_3TYRTYRLEULEUHH1 - 101 - 10
d_31ens_3TYRTYRLEULEUMM1 - 101 - 10
d_41ens_3TYRTYRLEULEURR1 - 101 - 10
d_11ens_4GLNGLNASPASPDD3 - 1403 - 125
d_12ens_4SERSERSERSERDD147 - 163132 - 148
d_13ens_4SERSERASNASNDD166 - 193151 - 178
d_14ens_4ALAALAPROPRODD198 - 215183 - 200
d_15ens_4NAGNAGNAGNAGDV301
d_21ens_4GLNGLNASPASPII3 - 1403 - 125
d_22ens_4SERSERSERSERII147 - 163132 - 148
d_23ens_4SERSERASNASNII166 - 193151 - 178
d_24ens_4ALAALAPROPROII198 - 215183 - 200
d_25ens_4NAGNAGNAGNAGICA301
d_31ens_4GLNGLNASPASPNN3 - 1403 - 125
d_32ens_4SERSERSERSERNN147 - 163132 - 148
d_33ens_4SERSERASNASNNN166 - 193151 - 178
d_34ens_4ALAALAPROPRONN198 - 215183 - 200
d_35ens_4NAGNAGNAGNAGNHA301
d_41ens_4GLNGLNASPASPSS3 - 1403 - 125
d_42ens_4SERSERASNASNSS147 - 193132 - 178
d_43ens_4ALAALAPROPROSS198 - 215183 - 200
d_44ens_4NAGNAGNAGNAGSOA301
d_11ens_5ALAALAGLUGLUEE2 - 582 - 52
d_12ens_5SERSERSERSEREE63 - 9354 - 83
d_13ens_5PROPROGLNGLNEE96 - 19386 - 183
d_14ens_5SERSERSERSEREE199 - 205189 - 195
d_15ens_5LEULEUASPASPEE207 - 234197 - 224
d_16ens_5ALAALAALAALAEE241 - 256231 - 246
d_21ens_5ALAALAGLUGLUJJ2 - 582 - 52
d_22ens_5SERSERSERSERJJ63 - 9354 - 83
d_23ens_5PROPROGLNGLNJJ96 - 19386 - 183
d_24ens_5SERSERSERSERJJ199 - 205189 - 195
d_25ens_5LEULEUASPASPJJ207 - 234197 - 224
d_26ens_5ALAALAALAALAJJ241 - 256231 - 246
d_31ens_5ALAALASERSEROO2 - 932 - 83
d_32ens_5PROPROGLNGLNOO96 - 19386 - 183
d_33ens_5SERSERSERSEROO199 - 205189 - 195
d_34ens_5LEULEUASPASPOO207 - 234197 - 224
d_35ens_5ALAALAALAALAOO241 - 256231 - 246
d_41ens_5ALAALAGLUGLUTT2 - 582 - 52
d_42ens_5SERSERGLNGLNTT63 - 19354 - 183
d_43ens_5SERSERSERSERTT199 - 205189 - 195
d_44ens_5LEULEUALAALATT207 - 256197 - 246

NCS ensembles :
ID
ens_1
ens_2
ens_3
ens_4
ens_5

NCS oper:
IDCodeMatrixVector
1given(0.389877859811, -0.261296441547, 0.883017227501), (0.304099604994, -0.86857081017, -0.391290401062), (0.869205778094, 0.421080654217, -0.259176383903)-109.216047679, 24.7817406119, 173.458992623
2given(0.936027185833, 0.344367587574, 0.0725539248436), (-0.348014185536, 0.875074459829, 0.336349247688), (0.0523376924178, -0.340081834833, 0.938938289543)-39.7620608866, -90.0070718141, 74.9364750671
3given(-0.311501333659, -0.0821868638602, -0.946684867597), (0.0965436944913, -0.993834816608, 0.0545130475284), (-0.94532863819, -0.07441556763, 0.317515494286)-46.0158820599, -4.12579360533, 82.2948524621
4given(0.380174270598, -0.257601808111, 0.888317979348), (0.332903399226, -0.857953161624, -0.391269343602), (0.862926909279, 0.44447461223, -0.240415199861)-109.951312413, 26.1087590516, 171.804005053
5given(0.936903581635, 0.331684023829, 0.110441781299), (-0.348793851436, 0.865621327377, 0.359224952906), (0.023548416514, -0.375080559249, 0.92669307009)-42.4881773344, -91.8852472357, 74.2179806178
6given(-0.298060481218, -0.0753029514045, -0.951572075592), (0.113185332865, -0.992638650042, 0.0430997780385), (-0.947812761024, -0.0948576615386, 0.304389543328)-44.9864736906, -2.55839853811, 83.0497798326
7given(0.400643144582, -0.254307822422, 0.880234401824), (0.316522135334, -0.863145831716, -0.39343742963), (0.859824870856, 0.436241681463, -0.265319405267)-108.396688938, 25.4763963574, 174.086913483
8given(0.928105536569, 0.367671025401, 0.0586355700095), (-0.364006593914, 0.862976335532, 0.350386991624), (0.0782260351591, -0.346539840989, 0.934767792572)-38.3627893768, -91.8842539195, 75.9092161785
9given(-0.32513223211, -0.072286477086, -0.942901742958), (0.100770785629, -0.994045451935, 0.0414594772072), (-0.940284148759, -0.0815371370421, 0.330480581693)-46.5857455797, -3.02755236835, 81.1917716933
10given(0.388238685334, -0.248822823772, 0.887331913987), (0.264748115668, -0.892156620466, -0.366012294614), (0.882711254296, 0.377019584277, -0.280494339713)-108.916275496, 21.1693657047, 173.95131935
11given(0.937210065186, 0.337787749087, 0.0868143437481), (-0.346547782882, 0.873913380062, 0.34085193021), (0.0392673896949, -0.349535178079, 0.936100011426)-40.8595624664, -90.5789160459, 74.8593916289
12given(-0.338132600569, -0.0870356101659, -0.93706517756), (0.0867618410808, -0.994356742463, 0.0610495835487), (-0.937090565188, -0.0606586455688, 0.343775800999)-47.7237353896, -4.88469319218, 80.7879109786
13given(0.390544007757, -0.247445836125, 0.886705101028), (0.268024047289, -0.890908199496, -0.366668365347), (0.880703405285, 0.380858422849, -0.281617424292)-108.800203362, 21.4741279517, 174.192851521
14given(0.934430635946, 0.348673863528, 0.0725666831195), (-0.351692720903, 0.871272796097, 0.342338932706), (0.0561392613974, -0.34541316083, 0.93677005271)-39.595908228, -90.4668749908, 75.1387916248
15given(-0.312479380855, -0.0846438726542, -0.946145893276), (0.0805620518786, -0.994795123338, 0.0623892489149), (-0.946502188237, -0.0567281006659, 0.317672048278)-46.7757049468, -5.11492456437, 82.7183020642

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Components

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Protein , 2 types, 8 molecules AFKPBGLQ

#1: Protein
MHC class I antigen / MHC class II antigen


Mass: 32029.297 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-B, HLA-DRB1 / Production host: Escherichia coli (E. coli) / References: UniProt: E5FQ58
#2: Protein
Beta-2-microglobulin


Mass: 11879.356 Da / Num. of mol.: 4 / Fragment: UNP residues 21-119
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M, CDABP0092, HDCMA22P / Production host: Escherichia coli (E. coli) / References: UniProt: P61769

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T cell receptor ... , 2 types, 8 molecules DINSEJOT

#4: Protein
T cell receptor alpha chain


Mass: 23604.143 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#5: Protein
T cell receptor beta chain


Mass: 28660.078 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)

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Protein/peptide / Sugars , 2 types, 18 molecules CHMR

#3: Protein/peptide
Epstein-Barr nuclear antigen 2 / EBNA-2 / EBV nuclear antigen 2


Mass: 1176.297 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) human gammaherpesvirus 4 (Epstein-Barr virus)
Gene: EBNA2, BYRF1 / Production host: synthetic construct (others) / References: UniProt: P12978
#7: Sugar
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 3 types, 39 molecules

#6: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: SO4
#8: Chemical
ChemComp-P6G / HEXAETHYLENE GLYCOL / POLYETHYLENE GLYCOL PEG400


Mass: 282.331 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C12H26O7 / Comment: precipitant*YM
#9: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 30 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN
Has protein modificationY

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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: 2.72 Å3/Da / Density % sol: 54.82 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, hanging drop / Details: 0.1M Bis-Tris, pH6.5, 22%PEG3350, 0.2M (NH4)2SO4

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.95372 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Feb 24, 2023
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.95372 Å / Relative weight: 1
ReflectionResolution: 2.8→19.97 Å / Num. obs: 96562 / % possible obs: 91.48 % / Redundancy: 4.1 % / CC1/2: 0.994 / CC star: 0.999 / Rpim(I) all: 0.0637 / Net I/σ(I): 9.71
Reflection shellResolution: 2.8→2.9 Å / Mean I/σ(I) obs: 2.12 / Num. unique obs: 9725 / CC1/2: 0.655 / CC star: 0.89 / Rpim(I) all: 0.4374

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
autoPROCdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.8→19.97 Å / SU ML: 0.3221 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 24.4288
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2351 4837 5.01 %
Rwork0.2021 91705 -
obs0.2038 96542 91.8 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 66.81 Å2
Refinement stepCycle: LAST / Resolution: 2.8→19.97 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms25175 0 297 30 25502
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.001926147
X-RAY DIFFRACTIONf_angle_d0.492835629
X-RAY DIFFRACTIONf_chiral_restr0.05253933
X-RAY DIFFRACTIONf_plane_restr0.00344605
X-RAY DIFFRACTIONf_dihedral_angle_d11.81429163
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS0.399137114301
ens_1d_3AAX-RAY DIFFRACTIONTorsion NCS0.402506951717
ens_1d_4AAX-RAY DIFFRACTIONTorsion NCS0.351489227073
ens_2d_2BBX-RAY DIFFRACTIONTorsion NCS0.360856691771
ens_2d_3BBX-RAY DIFFRACTIONTorsion NCS0.342921878659
ens_2d_4BBX-RAY DIFFRACTIONTorsion NCS0.310632327809
ens_3d_2CCX-RAY DIFFRACTIONTorsion NCS0.797327899206
ens_3d_3CCX-RAY DIFFRACTIONTorsion NCS0.730213284393
ens_3d_4CCX-RAY DIFFRACTIONTorsion NCS0.810967687352
ens_4d_2DDX-RAY DIFFRACTIONTorsion NCS1.4252300825
ens_4d_3DDX-RAY DIFFRACTIONTorsion NCS4.18125939205
ens_4d_4DDX-RAY DIFFRACTIONTorsion NCS1.39320382748
ens_5d_2EEX-RAY DIFFRACTIONTorsion NCS0.502077485538
ens_5d_3EEX-RAY DIFFRACTIONTorsion NCS0.593119267812
ens_5d_4EEX-RAY DIFFRACTIONTorsion NCS0.719908056542
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.8-2.830.30891620.2953111X-RAY DIFFRACTION93.86
2.83-2.860.37061420.2983070X-RAY DIFFRACTION93.18
2.86-2.90.31561690.29363068X-RAY DIFFRACTION94.07
2.9-2.940.31881710.27933088X-RAY DIFFRACTION92.74
2.94-2.970.33291410.27583091X-RAY DIFFRACTION94.39
2.97-3.020.32761670.28053079X-RAY DIFFRACTION93.09
3.02-3.060.31061550.27693077X-RAY DIFFRACTION93.76
3.06-3.10.29471470.2493114X-RAY DIFFRACTION93.17
3.1-3.150.26781740.24913040X-RAY DIFFRACTION93.46
3.15-3.20.27491390.25443114X-RAY DIFFRACTION92.65
3.2-3.260.27531680.24863046X-RAY DIFFRACTION93.16
3.26-3.320.29271770.24863031X-RAY DIFFRACTION92.18
3.32-3.380.28441670.23333075X-RAY DIFFRACTION93.27
3.38-3.450.27141820.22913050X-RAY DIFFRACTION92.61
3.45-3.520.25051430.22593058X-RAY DIFFRACTION92.41
3.52-3.610.22991570.20333050X-RAY DIFFRACTION92.5
3.61-3.70.25511990.20283042X-RAY DIFFRACTION91.61
3.7-3.790.23491500.19583039X-RAY DIFFRACTION92.09
3.79-3.910.22121760.19463048X-RAY DIFFRACTION92.25
3.91-4.030.26591610.18893057X-RAY DIFFRACTION91.68
4.03-4.170.20171600.17383021X-RAY DIFFRACTION91.12
4.17-4.340.20561580.16853040X-RAY DIFFRACTION90.88
4.34-4.530.17221490.1543030X-RAY DIFFRACTION90.62
4.53-4.770.19731680.14883033X-RAY DIFFRACTION90.22
4.77-5.060.1761620.16192985X-RAY DIFFRACTION89.43
5.06-5.450.20511430.17133034X-RAY DIFFRACTION89.52
5.45-5.980.22481650.18633018X-RAY DIFFRACTION89.64
5.98-6.820.21791740.21383014X-RAY DIFFRACTION89.05
6.82-8.480.19541470.18653077X-RAY DIFFRACTION88.86
8.48-19.970.20291640.17583105X-RAY DIFFRACTION87.27
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)
11.214799681110.0978437228289-0.07977324738812.68284996178-0.4549518167122.80759102348-0.0480142697462-0.2754622198870.03617679226480.582989773496-0.05725530029590.0358037801052-0.180330258250.1620733941050.1077474285580.4737646227190.000917761031642-0.006843288513040.323285933185-0.02809078239760.226122667751-34.799-17.32468.033
24.41188460713-2.669535477940.07909967285514.529140965080.2687684838030.4176959416510.08934682293250.0146099109718-0.123282575918-0.536524652535-0.04373585890090.4323286983990.219634702653-0.3560962515790.02449367286390.820862667416-0.04591817585540.120959875870.602236086346-0.06210511905770.420551513323-64.4290.75674.22
34.150903227291.420284928941.673331524743.901810282681.605343264423.813326994250.1121280082230.41389921219-0.201023134261-0.102962628759-0.344620436550.0163818210528-0.3474545906780.1087949760110.2087421024280.6981109094270.1371965490450.09052936622490.2444904804480.05235583566140.390430570481-44.5933.15563.307
43.20332152542-1.63476628976-0.2294469194144.015972552771.548771203622.88643006058-0.367389078503-1.327099477460.354850693531.03745474044-0.05694339387840.48426907667-0.227624218544-0.4948463392080.269042633231.19091359915-0.06140895326940.3559649473640.807114863163-0.2497135127480.585747918678-52.73410.46186.311
54.30025052022-1.204042794760.1306223006053.466691290481.967086281752.985208604660.154097488943-0.5279537238790.2331220445610.638095391749-0.0864483695240.360909158232-0.08026424670320.1978726254080.2283250497990.831171426755-0.003507985792920.1672380971860.415162621655-0.002392863423770.406605855694-45.3765.34874.968
64.66202587341-4.09369587482-4.387589807873.676669174143.753225892774.186442257350.47208980499-0.3654709463070.224290515933-1.582434556950.211061666037-0.993723195464-1.835852608730.90250777485-0.6580098057590.767392974470.01936746381420.09948547945470.460898027959-0.04597877832980.500137223144-37.2317.86468.312
74.9688416542-1.21699966269-2.579815372975.421440253456.589225860418.45624992790.04925618778770.07966402324050.1260517926571.73150846571-0.0374799172719-0.8568902578690.475469528088-0.38075196647-0.1529201574670.925563099916-0.06276814758740.1103679490380.424600974344-0.01618773200160.352357374739-36.85613.72678.017
82.38646720599-4.19050412842-3.403708318938.518144215037.553320752827.892877124910.184769752579-0.2407370501840.2683745620520.698558904184-0.297100422239-0.00971990553962-0.148810984777-0.2675570246120.2193039691090.691221408352-0.08183322688140.1505170284510.394207478503-0.06011291887230.418975607966-43.2033.43873.864
94.65466169725-2.81631086051-2.361020253986.598068821166.023685538325.505783548070.3998232476180.2194273496050.6935777726020.1214477193560.3234448249930.0907083002336-1.253229134040.489309873351-0.7762008930460.920502396711-0.05163713304580.174763256770.381802460696-0.05091416189490.468130658026-39.95712.41264.524
104.23110372502-0.953969890864-6.440553834857.019527548822.207727755239.900549287190.141984076570.2850651807950.881589424043-0.184795707676-0.1781436644090.906470782154-0.410722804722-0.5803638806940.08612554421860.7497121997310.062426827130.09094018746910.5336828398490.03034689302270.690024833584-51.55914.37672.708
110.975982986764-0.6059807850520.2556604043160.747329665462-0.05058135189580.0977748946824-0.3560185840560.02119720648050.1020244422240.0839774722257-0.23500895881-0.0332600433426-0.15915246788-0.1357107508890.4292877479780.432312522302-0.103550241158-0.04774371644430.583163534994-0.04655135151380.307667890011-29.633-23.54267.482
126.663156892211.00754446682.079737539253.277956140664.688791234486.99824807145-0.105449235411-0.943165478907-1.175326655831.582322444150.217154926075-0.01222678829920.985381143320.0386593515438-0.1170300592790.8788800558960.111989135435-0.05341225487240.7706741217930.1349668622370.532605800618-23.527-55.47674.482
132.717788100180.0524401589765-2.897815357045.386624023161.25216798614.06218100701-0.0254009362031-0.219871820696-0.1160832238550.6538470248210.00803899940110.0486345299812-0.009381836953080.1464060092110.05594176703080.4406527781340.0212882066641-0.08777851386470.3931891263310.02281876657080.216939730841-28.287-43.51769.957
141.94647086804-0.6974530251380.01036637517554.174992853640.9049260217950.639741059581-0.151338515247-0.0415177312936-0.04960117498490.2815004295410.1035136486270.109133616997-0.06359031014790.2121019922970.05977823877240.54270130162-0.0285896832362-0.1534153634080.4618863672410.02536650789660.350125580339-22.409-42.49171.513
157.39616409062-3.84741249809-1.333349411113.70380149790.6595342815371.25267482023-0.1213388057720.118462729262-0.8073188096560.0774464179994-0.0664742331462-0.03678094683040.1799675356410.5078307894070.1413393476870.78614055890.1832399446-0.1342372731220.6799420147410.04493379267610.689556103063-6.009-69.74966.868
164.178947506631.33380615499-3.387752049065.88914795053-0.005643831418862.990101385270.195400855627-1.14791478905-0.6222295295220.5271165135070.0853481736861-0.451729863110.256854425158-0.315655920549-0.004790092678270.6744903723960.245117833128-0.2213461293250.9542393729230.08889345698940.798882990794-6.71-70.40275.506
174.658900283552.174993013591.57216981871.602686734832.302831168175.04685461752-0.431427414218-0.6081560305010.02994408302420.4570065208090.11858060691-0.708363403619-0.00503717734668-0.2394439902530.3906352827051.021732051220.251423681459-0.2777109348030.665274684830.1153803737720.755893724632-2.73-68.7468.585
186.67258215469-2.4535673812-6.574075046153.707323967761.214653371677.00130347128-0.308793292772-0.932638534737-0.8933038764720.09136466488840.027761467328-0.04963523124690.6564116926260.3538668534880.3778609326671.096461464910.0544974711073-0.203378200850.6735081348420.2485014182020.69130173327-5.913-79.83272.597
196.91895371265-0.2334376075165.337693964272.7342189677-0.9184022852798.33281852193-0.1481338907630.418466498294-0.229254937926-0.2832174422170.00126503319409-1.12718543240.3838554463861.287376018970.06917222295950.430106238910.0712395819328-0.02842570412530.612770208499-0.06847904077360.557915967219-1.178-35.62767.848
204.48145631311-1.187066830131.801611709231.80673445611-0.5041818762153.1568081548-0.156735441177-0.270867217880.5549426608040.573039563362-0.0884191246851-0.627943304988-0.2505390023710.2905107303940.3400209357660.678122085962-0.0508904065535-0.2061184187620.571262287335-0.05064639591810.555479471281-9.723-29.85672.745
212.87899478987-2.4544629222-1.057198880252.093406391790.9022525994290.387737850944-0.184965529568-0.5236510990160.002207687594870.742416276477-0.113431792339-0.5961122449150.2934084655070.9410837978450.08028775739930.7509188956090.0195782163465-0.2194394543570.9636729482490.0406300443980.8825008800528.31-43.81477.494
222.058054720570.1853856178741.063402693182.42102728765-0.03985813985552.187798527360.03669872266850.2827090443580.208169840601-0.0384455242539-0.195637949059-0.3615231561230.09950902068630.392183729370.1514131132310.631258826370.175532380963-0.1716656443920.878557493446-0.003980826550050.8162943273275.876-58.71763.104
234.424741950130.153197786247-1.696482068122.366407016940.1615981115323.88447566648-0.205187591587-0.282098366782-0.19488726811-0.2845340334840.0119642630923-0.6323539818350.5994598946730.3249786078050.1395004691650.4106240980880.08626326027480.1033279870280.2682106673150.03194442584560.472297746031-53.241-5.693119.522
243.72043196416-2.52916063142-4.381165510813.557058680121.866258590995.82425852766-0.139440182339-0.832107964479-0.0162276084179-0.0466010244560.108492415744-0.502229859810.008433702246630.806849739704-0.007912280325660.2170235399240.0168831476974-0.0124195873890.3461898855970.006679065903120.356883104455-55.1494.477126.774
253.536862212330.477149016045-1.503809014333.05280454636-1.834031588283.86975770355-0.1044336334170.0685811995050.0748973489899-0.3496065487880.1736833321570.03296450543120.334435004748-0.155884042601-0.06475041766820.277153164103-0.0269073176363-0.0189703723550.2423954563320.01945451749070.270699100287-66.2254.97116.082
264.12082013329-0.854837222545-2.19968820713.27115099580.4669419406112.876849227190.09058216313520.203944537840.468884645597-0.4755622095230.0621061002039-0.240870099068-0.0249397943388-0.0547168004615-0.186647946640.220700674383-0.0428080799061-0.0008349018308650.2645356576210.02351027728270.297908462807-57.89510.51112.985
276.187851942646.591608039861.661981193848.529524595411.980805008972.26803434897-0.3896148579810.269539940763-0.940449332137-0.6312576279130.309042830296-0.8670796207020.202739635223-0.0934976149083-0.04372029135790.7942577379590.0196442311520.1430263528380.403310407689-0.02581844813930.480956249362-62.443-25.18599.906
284.693695378991.350943960071.494417964044.930539837061.625963622144.44754144974-0.0594023566568-0.146945526370.302432622703-0.792111274982-0.247633512470.616666958706-0.206033677028-0.4686676487570.2378353395170.6285988134850.03972101932570.07741986216570.37894964944-0.01674626363610.448166931067-71.482-24.26599.884
294.685861421641.028000591460.7449932247785.430981590490.414356688544.7912071487-0.04872694566560.8518473653820.118072195214-1.39491495857-0.1634589468420.0961619269106-0.2977180027160.2834076083880.180945848880.921992645287-0.02572507817330.03737105530520.5643356995010.004037063479620.469575058329-66.333-25.79691.248
305.56224754432-1.17051123388-0.1176838286793.36961185959-1.428673420483.372545636930.0525663216898-0.004099960161910.259502346799-0.504800770307-0.00763615241893-0.4559356368650.314866795664-0.187768430877-0.07717475517920.275170662981-0.05514541297810.1116652368690.2663463140470.07118160836610.368115606479-66.056-22.857116.237
312.48232096107-2.0720971515-0.5487060308559.38803759039-0.5989160626562.05030227003-0.0349314944954-0.115289444022-0.1998372609450.350604511031-0.1610376823510.02793444444520.06325310068010.08563935062030.1540579783950.364970440352-0.008421071236890.05652255964510.3225125231420.00574095363450.330340468502-61.775-20.162121.475
328.74306678998-6.82385598655-4.332601318565.340673651923.36999588612.15065572928-0.749560049128-0.0937757224992-0.7697101092620.2109362730460.1554387497860.6060823807430.9689089762750.1776316657370.3281184449480.936272178175-0.01223599492580.1549166885610.4145563496580.08851608652290.459296261683-64.234-33.172122.482
334.47173911534-4.31233098905-4.838186239535.280349981346.793429334079.38788081132-0.4611030851780.282627133308-0.536849815991-0.244383679245-0.1763696043950.8367869099030.320795556256-0.5295436464990.8103441004110.701609348166-0.1019208091120.1428516990780.432771108698-0.02207027082560.415884091754-71.724-26.324121.658
343.134229725242.204546183291.822854132124.47945482323-0.3488989171.96262385072-0.3477933767-0.385028121876-0.00872459227965-0.1508854307070.529204577887-0.103727926245-0.193104425225-0.373910917285-0.1082335921480.2598542727440.03931544076190.009335147371940.4310043626320.03937664771590.252425742652-54.8759.875120.441
356.23533033343-1.874083987232.304929869454.18943762793-5.506188152027.249127524450.2718619864720.2389075469610.676405982249-0.88893816574-0.640262493873-1.06061572730.3533030954050.9263763689240.4106189258510.524890614363-0.004324504760610.04808313042540.670996337915-0.03963021255520.601226372683-37.80536.428111.441
362.361639926-0.673599475775-0.627546285137.941310058250.5338940916312.06081601633-0.0296529719527-0.274443715628-0.145394926085-0.4196491406280.0495479750706-0.445234509068-0.1137304757010.335594622122-0.04258988613450.234014509297-0.02004675679690.05273967742730.4450285253760.01071088425740.397543001674-46.24728.193113.907
371.951996625471.59211704010.2257216594445.574003694670.8251712453261.56328166232-0.0499826050049-0.170159983860.37752999631-0.3640342975790.0572741943337-0.642233139835-0.3380122562390.0837514649420.005226300535270.1725974654860.005091265784460.007748826956140.52251041607-0.05611103252990.72855491321-36.38247.411123.584
381.0045677679-1.17396828131.787230516594.3619504698-0.4784943589946.33371877291-0.1395262211760.6910180447970.336095233455-0.278131784015-0.236204185215-0.4641746042040.01245523410790.7142389980160.2561053350970.383700652742-0.08247869280850.1288099452080.7412066389780.03639189287941.07510663491-29.69957.948123.917
394.200397114541.002670289132.036395147942.064411855470.9858679264763.288530272650.250869714531-0.553089866772-0.4484479237030.225717494884-0.0864517675234-0.4790003418730.245106223450.232988584078-0.1780472977070.3619579937520.0158650335942-0.07053640405340.5067564844430.07301486277760.517627283388-38.74621.727135.514
404.19521938247-1.752139566481.798882592285.10600318246-1.401732891193.47224586111-0.0310790956143-0.8684832863570.4570426773520.15826521281-0.243343235016-0.328963185986-0.20280914898-0.3282778868290.2304796784410.356814322623-0.03860363240610.007031007711080.760137599417-0.1758527546350.721368349111-35.52952.019138.94
411.65410048656-0.0716903059401-0.4603305211443.138839309660.1708225590554.504967487880.0256519256437-0.1394704196080.126530899470.4603682678110.05530163391-0.0614679075505-0.1496150336030.300991447144-0.1280350457710.3065869854050.004646302898970.01898904290150.276558953992-0.02488388039410.256401532175-68.605-66.325143.711
421.126000221960.1654452573571.226453657382.911983553020.403540438041.350408201260.1212265793350.2094815651680.3891418584440.4176634540490.09788944223230.640953019155-0.175762815374-0.509561843061-0.1210504246950.262487482760.01784969111850.07163538566230.2840130248140.06887275167040.36373376501-82.381-73.914137.215
430.795291474616-0.844446076526-0.08742226470473.5085123702-0.4606617308791.12201968486-0.17706843857-0.1624361400270.03105290612510.654734785660.2827223908010.528773144552-0.1609915767580.0212574455962-0.1192997663460.284193857757-0.01416436204740.1207622504020.3336783737030.04876094859750.385758340535-83.146-64.937145.363
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Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 1:174 )A1 - 174
2X-RAY DIFFRACTION2( CHAIN A AND RESID 175:276 )A175 - 276
3X-RAY DIFFRACTION3( CHAIN B AND RESID 0:11 )B0 - 11
4X-RAY DIFFRACTION4( CHAIN B AND RESID 12:19 )B12 - 19
5X-RAY DIFFRACTION5( CHAIN B AND RESID 20:30 )B20 - 30
6X-RAY DIFFRACTION6( CHAIN B AND RESID 31:41 )B31 - 41
7X-RAY DIFFRACTION7( CHAIN B AND RESID 42:51 )B42 - 51
8X-RAY DIFFRACTION8( CHAIN B AND RESID 52:77 )B52 - 77
9X-RAY DIFFRACTION9( CHAIN B AND RESID 78:90 )B78 - 90
10X-RAY DIFFRACTION10( CHAIN B AND RESID 91:99 )B91 - 99
11X-RAY DIFFRACTION11( CHAIN C AND RESID 1:10 )C1 - 10
12X-RAY DIFFRACTION12( CHAIN D AND RESID 3:18 )D3 - 18
13X-RAY DIFFRACTION13( CHAIN D AND RESID 19:91 )D19 - 91
14X-RAY DIFFRACTION14( CHAIN D AND RESID 92:119 )D92 - 119
15X-RAY DIFFRACTION15( CHAIN D AND RESID 120:152 )D120 - 152
16X-RAY DIFFRACTION16( CHAIN D AND RESID 153:167 )D153 - 167
17X-RAY DIFFRACTION17( CHAIN D AND RESID 168:204 )D168 - 204
18X-RAY DIFFRACTION18( CHAIN D AND RESID 205:215 )D205 - 215
19X-RAY DIFFRACTION19( CHAIN E AND RESID 2:14 )E2 - 14
20X-RAY DIFFRACTION20( CHAIN E AND RESID 15:121 )E15 - 121
21X-RAY DIFFRACTION21( CHAIN E AND RESID 122:136 )E122 - 136
22X-RAY DIFFRACTION22( CHAIN E AND RESID 137:256 )E137 - 256
23X-RAY DIFFRACTION23( CHAIN F AND RESID 1:56 )F1 - 56
24X-RAY DIFFRACTION24( CHAIN F AND RESID 57:85 )F57 - 85
25X-RAY DIFFRACTION25( CHAIN F AND RESID 86:137 )F86 - 137
26X-RAY DIFFRACTION26( CHAIN F AND RESID 138:174 )F138 - 174
27X-RAY DIFFRACTION27( CHAIN F AND RESID 175:197 )F175 - 197
28X-RAY DIFFRACTION28( CHAIN F AND RESID 198:263 )F198 - 263
29X-RAY DIFFRACTION29( CHAIN F AND RESID 264:276 )F264 - 276
30X-RAY DIFFRACTION30( CHAIN G AND RESID 0:19 )G0 - 19
31X-RAY DIFFRACTION31( CHAIN G AND RESID 20:71 )G20 - 71
32X-RAY DIFFRACTION32( CHAIN G AND RESID 72:83 )G72 - 83
33X-RAY DIFFRACTION33( CHAIN G AND RESID 84:99 )G84 - 99
34X-RAY DIFFRACTION34( CHAIN H AND RESID 1:10 )H1 - 10
35X-RAY DIFFRACTION35( CHAIN I AND RESID 3:18 )I3 - 18
36X-RAY DIFFRACTION36( CHAIN I AND RESID 19:108 )I19 - 108
37X-RAY DIFFRACTION37( CHAIN I AND RESID 109:152 )I109 - 152
38X-RAY DIFFRACTION38( CHAIN I AND RESID 153:215 )I153 - 215
39X-RAY DIFFRACTION39( CHAIN J AND RESID 2:136 )J2 - 136
40X-RAY DIFFRACTION40( CHAIN J AND RESID 137:256 )J137 - 256
41X-RAY DIFFRACTION41( CHAIN K AND RESID 1:103 )K1 - 103
42X-RAY DIFFRACTION42( CHAIN K AND RESID 104:137 )K104 - 137
43X-RAY DIFFRACTION43( CHAIN K AND RESID 138:197 )K138 - 197
44X-RAY DIFFRACTION44( CHAIN K AND RESID 198:276 )K198 - 276
45X-RAY DIFFRACTION45( CHAIN L AND RESID 0:11 )L0 - 11
46X-RAY DIFFRACTION46( CHAIN L AND RESID 12:30 )L12 - 30
47X-RAY DIFFRACTION47( CHAIN L AND RESID 31:51 )L31 - 51
48X-RAY DIFFRACTION48( CHAIN L AND RESID 52:77 )L52 - 77
49X-RAY DIFFRACTION49( CHAIN L AND RESID 78:99 )L78 - 99
50X-RAY DIFFRACTION50( CHAIN M AND RESID 1:10 )M1 - 10
51X-RAY DIFFRACTION51( CHAIN N AND RESID 2:18 )N2 - 18
52X-RAY DIFFRACTION52( CHAIN N AND RESID 19:44 )N19 - 44
53X-RAY DIFFRACTION53( CHAIN N AND RESID 45:56 )N45 - 56
54X-RAY DIFFRACTION54( CHAIN N AND RESID 57:85 )N57 - 85
55X-RAY DIFFRACTION55( CHAIN N AND RESID 86:99 )N86 - 99
56X-RAY DIFFRACTION56( CHAIN N AND RESID 100:119 )N100 - 119
57X-RAY DIFFRACTION57( CHAIN N AND RESID 120:133 )N120 - 133
58X-RAY DIFFRACTION58( CHAIN N AND RESID 134:152 )N134 - 152
59X-RAY DIFFRACTION59( CHAIN N AND RESID 153:167 )N153 - 167
60X-RAY DIFFRACTION60( CHAIN N AND RESID 168:192 )N168 - 192
61X-RAY DIFFRACTION61( CHAIN N AND RESID 193:205 )N193 - 205
62X-RAY DIFFRACTION62( CHAIN N AND RESID 206:215 )N206 - 215
63X-RAY DIFFRACTION63( CHAIN O AND RESID 2:136 )O2 - 136
64X-RAY DIFFRACTION64( CHAIN O AND RESID 137:256 )O137 - 256
65X-RAY DIFFRACTION65( CHAIN P AND RESID 1:118 )P1 - 118
66X-RAY DIFFRACTION66( CHAIN P AND RESID 119:137 )P119 - 137
67X-RAY DIFFRACTION67( CHAIN P AND RESID 138:185 )P138 - 185
68X-RAY DIFFRACTION68( CHAIN P AND RESID 186:227 )P186 - 227
69X-RAY DIFFRACTION69( CHAIN P AND RESID 228:276 )P228 - 276
70X-RAY DIFFRACTION70( CHAIN Q AND RESID 0:11 )Q0 - 11
71X-RAY DIFFRACTION71( CHAIN Q AND RESID 12:30 )Q12 - 30
72X-RAY DIFFRACTION72( CHAIN Q AND RESID 31:41 )Q31 - 41
73X-RAY DIFFRACTION73( CHAIN Q AND RESID 42:51 )Q42 - 51
74X-RAY DIFFRACTION74( CHAIN Q AND RESID 52:77 )Q52 - 77
75X-RAY DIFFRACTION75( CHAIN Q AND RESID 78:90 )Q78 - 90
76X-RAY DIFFRACTION76( CHAIN Q AND RESID 91:99 )Q91 - 99
77X-RAY DIFFRACTION77( CHAIN R AND RESID 1:10 )R1 - 10
78X-RAY DIFFRACTION78( CHAIN S AND ( RESID 3:17 OR RESID 402:402 ) ) OR ( CHAIN A AND RESID 402:403 ) OR ( CHAIN E AND RESID 302:302 ) OR ( CHAIN F AND RESID 402:402 ) OR ( CHAIN G AND RESID 102:103 ) OR ( CHAIN I AND RESID 403:403 ) OR ( CHAIN J AND RESID 301:302 ) OR ( CHAIN K AND RESID 402:406 ) OR ( CHAIN O AND RESID 302:302 )S3 - 17
79X-RAY DIFFRACTION78( CHAIN S AND ( RESID 3:17 OR RESID 402:402 ) ) OR ( CHAIN A AND RESID 402:403 ) OR ( CHAIN E AND RESID 302:302 ) OR ( CHAIN F AND RESID 402:402 ) OR ( CHAIN G AND RESID 102:103 ) OR ( CHAIN I AND RESID 403:403 ) OR ( CHAIN J AND RESID 301:302 ) OR ( CHAIN K AND RESID 402:406 ) OR ( CHAIN O AND RESID 302:302 )S402
80X-RAY DIFFRACTION78( CHAIN S AND ( RESID 3:17 OR RESID 402:402 ) ) OR ( CHAIN A AND RESID 402:403 ) OR ( CHAIN E AND RESID 302:302 ) OR ( CHAIN F AND RESID 402:402 ) OR ( CHAIN G AND RESID 102:103 ) OR ( CHAIN I AND RESID 403:403 ) OR ( CHAIN J AND RESID 301:302 ) OR ( CHAIN K AND RESID 402:406 ) OR ( CHAIN O AND RESID 302:302 )A402 - 403
81X-RAY DIFFRACTION78( CHAIN S AND ( RESID 3:17 OR RESID 402:402 ) ) OR ( CHAIN A AND RESID 402:403 ) OR ( CHAIN E AND RESID 302:302 ) OR ( CHAIN F AND RESID 402:402 ) OR ( CHAIN G AND RESID 102:103 ) OR ( CHAIN I AND RESID 403:403 ) OR ( CHAIN J AND RESID 301:302 ) OR ( CHAIN K AND RESID 402:406 ) OR ( CHAIN O AND RESID 302:302 )E302
82X-RAY DIFFRACTION78( CHAIN S AND ( RESID 3:17 OR RESID 402:402 ) ) OR ( CHAIN A AND RESID 402:403 ) OR ( CHAIN E AND RESID 302:302 ) OR ( CHAIN F AND RESID 402:402 ) OR ( CHAIN G AND RESID 102:103 ) OR ( CHAIN I AND RESID 403:403 ) OR ( CHAIN J AND RESID 301:302 ) OR ( CHAIN K AND RESID 402:406 ) OR ( CHAIN O AND RESID 302:302 )F402
83X-RAY DIFFRACTION78( CHAIN S AND ( RESID 3:17 OR RESID 402:402 ) ) OR ( CHAIN A AND RESID 402:403 ) OR ( CHAIN E AND RESID 302:302 ) OR ( CHAIN F AND RESID 402:402 ) OR ( CHAIN G AND RESID 102:103 ) OR ( CHAIN I AND RESID 403:403 ) OR ( CHAIN J AND RESID 301:302 ) OR ( CHAIN K AND RESID 402:406 ) OR ( CHAIN O AND RESID 302:302 )G102 - 103
84X-RAY DIFFRACTION78( CHAIN S AND ( RESID 3:17 OR RESID 402:402 ) ) OR ( CHAIN A AND RESID 402:403 ) OR ( CHAIN E AND RESID 302:302 ) OR ( CHAIN F AND RESID 402:402 ) OR ( CHAIN G AND RESID 102:103 ) OR ( CHAIN I AND RESID 403:403 ) OR ( CHAIN J AND RESID 301:302 ) OR ( CHAIN K AND RESID 402:406 ) OR ( CHAIN O AND RESID 302:302 )I403
85X-RAY DIFFRACTION78( CHAIN S AND ( RESID 3:17 OR RESID 402:402 ) ) OR ( CHAIN A AND RESID 402:403 ) OR ( CHAIN E AND RESID 302:302 ) OR ( CHAIN F AND RESID 402:402 ) OR ( CHAIN G AND RESID 102:103 ) OR ( CHAIN I AND RESID 403:403 ) OR ( CHAIN J AND RESID 301:302 ) OR ( CHAIN K AND RESID 402:406 ) OR ( CHAIN O AND RESID 302:302 )J301 - 302
86X-RAY DIFFRACTION78( CHAIN S AND ( RESID 3:17 OR RESID 402:402 ) ) OR ( CHAIN A AND RESID 402:403 ) OR ( CHAIN E AND RESID 302:302 ) OR ( CHAIN F AND RESID 402:402 ) OR ( CHAIN G AND RESID 102:103 ) OR ( CHAIN I AND RESID 403:403 ) OR ( CHAIN J AND RESID 301:302 ) OR ( CHAIN K AND RESID 402:406 ) OR ( CHAIN O AND RESID 302:302 )K402 - 406
87X-RAY DIFFRACTION78( CHAIN S AND ( RESID 3:17 OR RESID 402:402 ) ) OR ( CHAIN A AND RESID 402:403 ) OR ( CHAIN E AND RESID 302:302 ) OR ( CHAIN F AND RESID 402:402 ) OR ( CHAIN G AND RESID 102:103 ) OR ( CHAIN I AND RESID 403:403 ) OR ( CHAIN J AND RESID 301:302 ) OR ( CHAIN K AND RESID 402:406 ) OR ( CHAIN O AND RESID 302:302 )O302
88X-RAY DIFFRACTION79( CHAIN S AND ( RESID 37:44 OR RESID 401:401 ) ) OR ( CHAIN A AND RESID 401:401 ) OR ( CHAIN E AND RESID 301:301 ) OR ( CHAIN F AND RESID 401:401 ) OR ( CHAIN G AND RESID 101:101 ) OR ( CHAIN H AND RESID 101:101 ) OR ( CHAIN I AND RESID 401:402 ) OR ( CHAIN K AND RESID 401:401 ) OR ( CHAIN N AND RESID 401:403 ) OR ( CHAIN O AND RESID 301:301 ) OR ( CHAIN T AND RESID 301:301 )S37 - 44
89X-RAY DIFFRACTION79( CHAIN S AND ( RESID 37:44 OR RESID 401:401 ) ) OR ( CHAIN A AND RESID 401:401 ) OR ( CHAIN E AND RESID 301:301 ) OR ( CHAIN F AND RESID 401:401 ) OR ( CHAIN G AND RESID 101:101 ) OR ( CHAIN H AND RESID 101:101 ) OR ( CHAIN I AND RESID 401:402 ) OR ( CHAIN K AND RESID 401:401 ) OR ( CHAIN N AND RESID 401:403 ) OR ( CHAIN O AND RESID 301:301 ) OR ( CHAIN T AND RESID 301:301 )S401
90X-RAY DIFFRACTION79( CHAIN S AND ( RESID 37:44 OR RESID 401:401 ) ) OR ( CHAIN A AND RESID 401:401 ) OR ( CHAIN E AND RESID 301:301 ) OR ( CHAIN F AND RESID 401:401 ) OR ( CHAIN G AND RESID 101:101 ) OR ( CHAIN H AND RESID 101:101 ) OR ( CHAIN I AND RESID 401:402 ) OR ( CHAIN K AND RESID 401:401 ) OR ( CHAIN N AND RESID 401:403 ) OR ( CHAIN O AND RESID 301:301 ) OR ( CHAIN T AND RESID 301:301 )A401
91X-RAY DIFFRACTION79( CHAIN S AND ( RESID 37:44 OR RESID 401:401 ) ) OR ( CHAIN A AND RESID 401:401 ) OR ( CHAIN E AND RESID 301:301 ) OR ( CHAIN F AND RESID 401:401 ) OR ( CHAIN G AND RESID 101:101 ) OR ( CHAIN H AND RESID 101:101 ) OR ( CHAIN I AND RESID 401:402 ) OR ( CHAIN K AND RESID 401:401 ) OR ( CHAIN N AND RESID 401:403 ) OR ( CHAIN O AND RESID 301:301 ) OR ( CHAIN T AND RESID 301:301 )E301
92X-RAY DIFFRACTION79( CHAIN S AND ( RESID 37:44 OR RESID 401:401 ) ) OR ( CHAIN A AND RESID 401:401 ) OR ( CHAIN E AND RESID 301:301 ) OR ( CHAIN F AND RESID 401:401 ) OR ( CHAIN G AND RESID 101:101 ) OR ( CHAIN H AND RESID 101:101 ) OR ( CHAIN I AND RESID 401:402 ) OR ( CHAIN K AND RESID 401:401 ) OR ( CHAIN N AND RESID 401:403 ) OR ( CHAIN O AND RESID 301:301 ) OR ( CHAIN T AND RESID 301:301 )F401
93X-RAY DIFFRACTION79( CHAIN S AND ( RESID 37:44 OR RESID 401:401 ) ) OR ( CHAIN A AND RESID 401:401 ) OR ( CHAIN E AND RESID 301:301 ) OR ( CHAIN F AND RESID 401:401 ) OR ( CHAIN G AND RESID 101:101 ) OR ( CHAIN H AND RESID 101:101 ) OR ( CHAIN I AND RESID 401:402 ) OR ( CHAIN K AND RESID 401:401 ) OR ( CHAIN N AND RESID 401:403 ) OR ( CHAIN O AND RESID 301:301 ) OR ( CHAIN T AND RESID 301:301 )G101
94X-RAY DIFFRACTION79( CHAIN S AND ( RESID 37:44 OR RESID 401:401 ) ) OR ( CHAIN A AND RESID 401:401 ) OR ( CHAIN E AND RESID 301:301 ) OR ( CHAIN F AND RESID 401:401 ) OR ( CHAIN G AND RESID 101:101 ) OR ( CHAIN H AND RESID 101:101 ) OR ( CHAIN I AND RESID 401:402 ) OR ( CHAIN K AND RESID 401:401 ) OR ( CHAIN N AND RESID 401:403 ) OR ( CHAIN O AND RESID 301:301 ) OR ( CHAIN T AND RESID 301:301 )H101
95X-RAY DIFFRACTION79( CHAIN S AND ( RESID 37:44 OR RESID 401:401 ) ) OR ( CHAIN A AND RESID 401:401 ) OR ( CHAIN E AND RESID 301:301 ) OR ( CHAIN F AND RESID 401:401 ) OR ( CHAIN G AND RESID 101:101 ) OR ( CHAIN H AND RESID 101:101 ) OR ( CHAIN I AND RESID 401:402 ) OR ( CHAIN K AND RESID 401:401 ) OR ( CHAIN N AND RESID 401:403 ) OR ( CHAIN O AND RESID 301:301 ) OR ( CHAIN T AND RESID 301:301 )I401 - 402
96X-RAY DIFFRACTION79( CHAIN S AND ( RESID 37:44 OR RESID 401:401 ) ) OR ( CHAIN A AND RESID 401:401 ) OR ( CHAIN E AND RESID 301:301 ) OR ( CHAIN F AND RESID 401:401 ) OR ( CHAIN G AND RESID 101:101 ) OR ( CHAIN H AND RESID 101:101 ) OR ( CHAIN I AND RESID 401:402 ) OR ( CHAIN K AND RESID 401:401 ) OR ( CHAIN N AND RESID 401:403 ) OR ( CHAIN O AND RESID 301:301 ) OR ( CHAIN T AND RESID 301:301 )K401
97X-RAY DIFFRACTION79( CHAIN S AND ( RESID 37:44 OR RESID 401:401 ) ) OR ( CHAIN A AND RESID 401:401 ) OR ( CHAIN E AND RESID 301:301 ) OR ( CHAIN F AND RESID 401:401 ) OR ( CHAIN G AND RESID 101:101 ) OR ( CHAIN H AND RESID 101:101 ) OR ( CHAIN I AND RESID 401:402 ) OR ( CHAIN K AND RESID 401:401 ) OR ( CHAIN N AND RESID 401:403 ) OR ( CHAIN O AND RESID 301:301 ) OR ( CHAIN T AND RESID 301:301 )N401 - 403
98X-RAY DIFFRACTION79( CHAIN S AND ( RESID 37:44 OR RESID 401:401 ) ) OR ( CHAIN A AND RESID 401:401 ) OR ( CHAIN E AND RESID 301:301 ) OR ( CHAIN F AND RESID 401:401 ) OR ( CHAIN G AND RESID 101:101 ) OR ( CHAIN H AND RESID 101:101 ) OR ( CHAIN I AND RESID 401:402 ) OR ( CHAIN K AND RESID 401:401 ) OR ( CHAIN N AND RESID 401:403 ) OR ( CHAIN O AND RESID 301:301 ) OR ( CHAIN T AND RESID 301:301 )O301
99X-RAY DIFFRACTION79( CHAIN S AND ( RESID 37:44 OR RESID 401:401 ) ) OR ( CHAIN A AND RESID 401:401 ) OR ( CHAIN E AND RESID 301:301 ) OR ( CHAIN F AND RESID 401:401 ) OR ( CHAIN G AND RESID 101:101 ) OR ( CHAIN H AND RESID 101:101 ) OR ( CHAIN I AND RESID 401:402 ) OR ( CHAIN K AND RESID 401:401 ) OR ( CHAIN N AND RESID 401:403 ) OR ( CHAIN O AND RESID 301:301 ) OR ( CHAIN T AND RESID 301:301 )T301
100X-RAY DIFFRACTION80( CHAIN S AND RESID 45:56 )S45 - 56
101X-RAY DIFFRACTION81( CHAIN S AND RESID 57:80 )S57 - 80
102X-RAY DIFFRACTION82( CHAIN S AND RESID 81:91 )S81 - 91
103X-RAY DIFFRACTION83( CHAIN S AND RESID 92:108 )S92 - 108
104X-RAY DIFFRACTION84( CHAIN S AND RESID 109:125 )S109 - 125
105X-RAY DIFFRACTION85( CHAIN S AND RESID 126:138 )S126 - 138
106X-RAY DIFFRACTION86( CHAIN S AND RESID 139:162 )S139 - 162
107X-RAY DIFFRACTION87( CHAIN S AND RESID 163:191 )S163 - 191
108X-RAY DIFFRACTION88( CHAIN S AND RESID 192:203 )S192 - 203
109X-RAY DIFFRACTION89( CHAIN S AND RESID 204:215 )S204 - 215
110X-RAY DIFFRACTION90( CHAIN T AND RESID 2:136 )T2 - 136
111X-RAY DIFFRACTION91( CHAIN T AND RESID 137:256 )T137 - 256

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