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- PDB-8xud: Crystal structure of adaptor NlpI in complex with endopeptidase M... -

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Basic information

Entry
Database: PDB / ID: 8xud
TitleCrystal structure of adaptor NlpI in complex with endopeptidase MepS and PDZ-protease Prc
Components
  • (Substrate peptide) x 2
  • Lipoprotein NlpI
  • Murein DD-endopeptidase MepS/Murein LD-carboxypeptidase
  • Tail-specific protease
KeywordsPROTEIN BINDING / hydrolases / lipoprotein / protease / protein complex / SUBSTRATE DEGRADATION
Function / homology
Function and homology information


symbiont-mediated evasion of recognition by host complement / muramoyltetrapeptide carboxypeptidase / muramoyltetrapeptide carboxypeptidase activity / C-terminal processing peptidase / capsule polysaccharide biosynthetic process / peptidoglycan metabolic process / peptidoglycan turnover / Hydrolases; Acting on peptide bonds (peptidases) / cysteine-type peptidase activity / cell outer membrane ...symbiont-mediated evasion of recognition by host complement / muramoyltetrapeptide carboxypeptidase / muramoyltetrapeptide carboxypeptidase activity / C-terminal processing peptidase / capsule polysaccharide biosynthetic process / peptidoglycan metabolic process / peptidoglycan turnover / Hydrolases; Acting on peptide bonds (peptidases) / cysteine-type peptidase activity / cell outer membrane / protein catabolic process / cell wall organization / outer membrane-bounded periplasmic space / protein-macromolecule adaptor activity / endopeptidase activity / cell division / serine-type endopeptidase activity / response to antibiotic / signal transduction / protein homodimerization activity / proteolysis / plasma membrane
Similarity search - Function
Tail specific protease, C-terminal / Lipoprotein NlpI / C-terminal domain of tail specific protease (DUF3340) / Tail specific protease, N-terminal domain / Tail specific protease N-terminal domain / : / : / C-terminal-processing peptidase S41A / tail specific protease / Tail specific protease ...Tail specific protease, C-terminal / Lipoprotein NlpI / C-terminal domain of tail specific protease (DUF3340) / Tail specific protease, N-terminal domain / Tail specific protease N-terminal domain / : / : / C-terminal-processing peptidase S41A / tail specific protease / Tail specific protease / Peptidase family S41 / NlpC/P60 family / NlpC/P60 domain profile. / Endopeptidase, NLPC/P60 domain / Tetratricopeptide repeat / ClpP/crotonase-like domain superfamily / TPR repeat region circular profile. / TPR repeat profile. / Tetratricopeptide repeats / PDZ domain / Tetratricopeptide repeat / PDZ domain profile. / Domain present in PSD-95, Dlg, and ZO-1/2. / PDZ domain / PDZ superfamily / Papain-like cysteine peptidase superfamily / Prokaryotic membrane lipoprotein lipid attachment site profile. / Tetratricopeptide-like helical domain superfamily
Similarity search - Domain/homology
PHOSPHATE ION / Lipoprotein NlpI / Murein DD-endopeptidase MepS/Murein LD-carboxypeptidase / Tail-specific protease
Similarity search - Component
Biological speciesEscherichia coli K-12 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.49 Å
AuthorsTzeng, S.R. / Wang, S. / Huang, C.H.
Funding support1items
OrganizationGrant numberCountry
Not funded
CitationJournal: Nat Commun / Year: 2024
Title: Structural basis for recruitment of peptidoglycan endopeptidase MepS by lipoprotein NlpI.
Authors: Wang, S. / Huang, C.H. / Lin, T.S. / Yeh, Y.Q. / Fan, Y.S. / Wang, S.W. / Tseng, H.C. / Huang, S.J. / Chang, Y.Y. / Jeng, U.S. / Chang, C.I. / Tzeng, S.R.
History
DepositionJan 12, 2024Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Jun 5, 2024Provider: repository / Type: Initial release
Revision 1.1Dec 18, 2024Group: Database references / Structure summary / Category: citation / citation_author / pdbx_entry_details
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Lipoprotein NlpI
B: Lipoprotein NlpI
C: Tail-specific protease
D: Tail-specific protease
I: Murein DD-endopeptidase MepS/Murein LD-carboxypeptidase
J: Murein DD-endopeptidase MepS/Murein LD-carboxypeptidase
K: Murein DD-endopeptidase MepS/Murein LD-carboxypeptidase
L: Murein DD-endopeptidase MepS/Murein LD-carboxypeptidase
M: Substrate peptide
N: Substrate peptide
hetero molecules


Theoretical massNumber of molelcules
Total (without water)302,61324
Polymers301,28310
Non-polymers1,33014
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)230.410, 230.410, 182.905
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number96
Space group name H-MP43212
Space group name HallP4nw2abw
Symmetry operation#1: x,y,z
#2: -y+1/2,x+1/2,z+3/4
#3: y+1/2,-x+1/2,z+1/4
#4: x+1/2,-y+1/2,-z+1/4
#5: -x+1/2,y+1/2,-z+3/4
#6: -x,-y,z+1/2
#7: y,x,-z
#8: -y,-x,-z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1chain "A"
d_2ens_1chain "B"
d_1ens_2chain "C"
d_2ens_2(chain "D" and resid 25 through 671)
d_1ens_3(chain "I" and resid 22 through 160)
d_2ens_3(chain "J" and resid 22 through 160)
d_3ens_3(chain "K" and resid 22 through 160)
d_4ens_3(chain "L" and resid 22 through 160)
d_1ens_4chain "M"
d_2ens_4(chain "N" and resid 3 through 10)

NCS domain segments:

Component-ID: 1

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_1ens_1ARGARGLEULEUAA25 - 28828 - 291
d_2ens_1ARGARGLEULEUBB25 - 28828 - 291
d_1ens_2ASPASPLYSLYSCC25 - 67125 - 671
d_2ens_2ASPASPLYSLYSDD25 - 67125 - 671
d_1ens_3SERSERSERSERIE22 - 16022 - 160
d_2ens_3SERSERSERSERJF22 - 16022 - 160
d_3ens_3SERSERSERSERKG22 - 16022 - 160
d_4ens_3SERSERSERSERLH22 - 16022 - 160
d_1ens_4UNKUNKUNKUNKMI1 - 81 - 8
d_2ens_4UNKUNKUNKUNKNJ3 - 102 - 9

NCS ensembles :
ID
ens_1
ens_2
ens_3
ens_4

NCS oper:
IDCodeMatrixVector
1given(-0.0155532563466, -0.999878961522, 0.000398148202737), (-0.999866808629, 0.0155550344897, 0.00494023327092), (-0.00494582852163, -0.000321258458358, -0.999987717711)115.215756983, 113.030027543, 180.968679921
2given(-0.00148050887426, -0.999961567112, -0.0086413188728), (-0.999792701525, 0.00165562537876, -0.0202931732814), (0.020306700143, 0.00860948331745, -0.999756727772)114.9604216, 117.018727149, 178.267602202
3given(0.39475831688, 0.917843613681, -0.0415809100395), (-0.425343865652, 0.142448059484, -0.893751165762), (-0.814400679768, 0.370501890919, 0.446631706912)-25.0684763978, 156.142415425, 43.9804338684
4given(-0.0122274723944, -0.999862165342, -0.0112311725061), (-0.999843715089, 0.0120822776484, 0.0129059662422), (-0.0127684892082, 0.0113872245892, -0.999853637689)115.7800994, 112.899501466, 180.255407378
5given(0.424723916242, -0.145705903991, 0.893520780124), (-0.388009834453, -0.921018786579, 0.0342456294461), (0.817959634297, -0.361239787829, -0.447714029655)-41.411505315, 140.187048955, 135.985952892
6given(0.314563732173, -0.925545966626, -0.210747057072), (-0.866866521255, -0.189635896077, -0.461064703969), (0.386771370099, 0.327723802282, -0.861977387574)106.463300796, 174.739193105, 105.506557061

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Components

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Protein , 3 types, 8 molecules ABCDIJKL

#1: Protein Lipoprotein NlpI


Mass: 34082.734 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli K-12 (bacteria) / Gene: nlpI, yhbM, b3163, JW3132 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P0AFB1
#2: Protein Tail-specific protease / C-terminal-processing peptidase / PRC protein / Protease Re


Mass: 77520.758 Da / Num. of mol.: 2 / Mutation: S452A/K477A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli K-12 (bacteria) / Gene: prc, tsp, b1830, JW1819 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: P23865, C-terminal processing peptidase
#3: Protein
Murein DD-endopeptidase MepS/Murein LD-carboxypeptidase / Lipoprotein Spr / Murein hydrolase MepS


Mass: 19148.357 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli K-12 (bacteria) / Gene: mepS, spr, yeiV, b2175, JW2163 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: P0AFV4, Hydrolases; Acting on peptide bonds (peptidases), muramoyltetrapeptide carboxypeptidase

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Protein/peptide , 2 types, 2 molecules MN

#4: Protein/peptide Substrate peptide


Mass: 698.854 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Details: Chains M/N were supposed to be substrates peptides, but only the backbone orientation could be traced.
Source: (gene. exp.) Escherichia coli K-12 (bacteria) / Production host: Escherichia coli BL21(DE3) (bacteria)
#5: Protein/peptide Substrate peptide


Mass: 783.958 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli K-12 (bacteria) / Production host: Escherichia coli BL21(DE3) (bacteria)

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Non-polymers , 1 types, 14 molecules

#6: Chemical
ChemComp-PO4 / PHOSPHATE ION


Mass: 94.971 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: PO4

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Details

Has ligand of interestN
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: 4.03 Å3/Da / Density % sol: 69.47 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / Details: 8% (w/v) PEG 4000, 1M sodium acetate pH 4.6

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: NSRRC / Beamline: TPS 05A / Wavelength: 1 Å
DetectorType: RAYONIX MX300-HS / Detector: CCD / Date: Nov 7, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.49→30 Å / Num. obs: 61469 / % possible obs: 97.4 % / Redundancy: 7.6 % / Biso Wilson estimate: 118.59 Å2 / CC1/2: 0.996 / CC star: 0.999 / Rpim(I) all: 0.048 / Χ2: 1.182 / Net I/σ(I): 19.76
Reflection shellResolution: 3.49→3.62 Å / Redundancy: 6.8 % / Num. unique obs: 6097 / CC1/2: 0.806 / CC star: 0.945 / Rpim(I) all: 0.414 / Χ2: 0.683 / % possible all: 99.1

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
HKL-2000data scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.49→29.91 Å / SU ML: 0.4365 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 31.3829
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2718 1994 3.26 %
Rwork0.2346 59215 -
obs0.2358 61209 97.39 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 182.22 Å2
Refinement stepCycle: LAST / Resolution: 3.49→29.91 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19307 0 70 0 19377
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002219712
X-RAY DIFFRACTIONf_angle_d0.585126615
X-RAY DIFFRACTIONf_chiral_restr0.04052895
X-RAY DIFFRACTIONf_plane_restr0.00413483
X-RAY DIFFRACTIONf_dihedral_angle_d3.9632682
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS0.632227751264
ens_2d_2CCX-RAY DIFFRACTIONTorsion NCS3.25018194626
ens_3d_2EIX-RAY DIFFRACTIONTorsion NCS6.59114842256
ens_3d_3EIX-RAY DIFFRACTIONTorsion NCS1.0339401101
ens_3d_4EIX-RAY DIFFRACTIONTorsion NCS6.64069698313
ens_4d_2IMX-RAY DIFFRACTIONTorsion NCS1.38098506858
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.49-3.580.32411380.31174123X-RAY DIFFRACTION96.62
3.58-3.670.31531430.31594252X-RAY DIFFRACTION98.96
3.67-3.780.30371430.28924220X-RAY DIFFRACTION98.84
3.78-3.90.32271420.26154246X-RAY DIFFRACTION98.7
3.9-4.040.31511430.24394231X-RAY DIFFRACTION98.87
4.04-4.20.29481410.22894258X-RAY DIFFRACTION98.7
4.2-4.390.26451430.2044243X-RAY DIFFRACTION98.52
4.39-4.620.19771430.18744243X-RAY DIFFRACTION98.67
4.63-4.910.22691440.18364264X-RAY DIFFRACTION98.15
4.91-5.290.22561430.22034236X-RAY DIFFRACTION98.14
5.29-5.820.2631440.23924262X-RAY DIFFRACTION97.61
5.82-6.650.35811430.25644261X-RAY DIFFRACTION97.09
6.65-8.350.28731430.244252X-RAY DIFFRACTION95.92
8.35-29.910.24691410.23024124X-RAY DIFFRACTION89.39
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)
12.089258024570.5133246990781.177539106722.91822305387-0.4796334382731.75673254427-0.2579664278210.218210674852-0.2514352456590.4146902940460.0343432021892-0.621623026703-0.03461847320430.262279325669-1.78205095605E-51.018239569890.03040571440060.143224643360.9562016912140.1829627268220.96450337514345.533860145288.94779264587.5825657592
25.39913204149-1.311281520230.1180693274055.06336561705-0.9483644598234.33968295454-0.1125798467540.1725962209850.3219547395610.0679135803309-0.0801452052527-0.298608312123-0.665841028013-0.0572634250686-1.3682890497E-51.03376106740.0708262074585-0.02534891528940.9024044427770.1682164614860.72720129832532.8180939946107.61211719985.6891135396
33.952866767231.6085372814-0.8300629384822.19555301421-1.482058990852.912378840580.01029751867970.0938796549955-0.848209722947-0.216200591064-0.05901053370580.05438716961970.408138745107-0.0645220086443-2.24965238811E-50.9243024908640.05914812895520.1135930175840.9311445356070.177297928210.9003241993230.609344054771.29071994893.9752204736
42.78572789922-0.484228564303-0.5845695128354.161672055011.822635275161.57835848338-0.0872649088670.166646497964-0.3997991133940.362016168006-0.3613253046230.5949824503050.115232874904-0.5432903871566.15456596649E-50.980356784609-0.01590272540550.2472220303781.130392327080.01730735433581.213015835284.8724287073972.988503336896.309608204
51.50183447873-0.44589128355-2.313095397342.285190633170.1287251665894.12424872963-0.185433258151-0.2951710097420.2401424008460.0472485077074-0.041809169455-0.116463811798-0.245640796361-0.628650658716-7.06678074598E-51.05557676624-0.03049408512740.1625856529031.06266284080.0006896236591980.81448528726312.654651465989.253446322395.2894733457
61.585921845051.00677503597-0.4907199997951.07586553911-0.02676838463070.306275668142-0.05425185615881.920257053120.789825980267-1.63090520918-0.793843165461-0.1299430273840.759614954159-0.205047694181-0.000640282992061.158957476780.1598855129450.1388186596021.311281045390.07254779881131.2697857492613.721161028481.853633845581.4015901802
70.787087533245-0.07346084114520.7057885342723.35342854355-0.3810401055433.585445313070.0755646173012-0.2579485576540.364683808675-0.0382106892454-0.0700340457576-1.28653535417-0.5243488862571.62568354781-0.003223887068731.38349062713-0.456062392012-0.322215084332.232871441680.2367401483862.1475262339182.9226208142113.595536038104.753262384
81.955492296281.674354185060.4622026194692.823890152432.525471714350.8985587118960.531776232670.425898171930.1309430993350.008744022438050.152266201520.1507574370390.02364413462690.229098485694-2.36852393133E-52.25783126370.365703227092-0.2755057468432.290649598340.5650399529482.2900788146579.489909635489.7282723171123.740215154
90.9448530969140.1194646917510.2877181146750.8047921282360.7541942294611.613157854290.104926861135-0.604136010025-0.1835406196610.815340196612-0.111119963511-0.42813800981-0.3227991404040.411356180821-1.10926953345E-52.30259557186-0.148385640772-0.2808359014052.032145000180.3254981563291.6709285299865.6387037646108.96634539129.677795611
101.864079827781.137013231561.75123258120.8401493865971.381845603371.141935673310.1777334959540.12370761864-0.632159560045-0.4803931971370.1803732837230.2820745212820.757096392395-0.468004395495-6.91909997334E-51.68284100783-0.3790928036850.1852938180491.52163126614-0.4029897603142.16061185509-6.546617980637.261460022181.5289724154
11-0.00582531991647-0.07892228548430.141464299799-0.0211906073341-0.2173676557010.270364172612-1.060388288341.99698958414-2.133240391021.322370254840.5422020433150.1335212142712.286860657740.4938352834310.0009947882836662.46087863157-0.2712740798080.1963323650232.9018352192-1.016727535992.96808743342-6.4741355530917.967154377867.5652412765
122.214691135150.5063999230520.5892039294430.8787183381370.712634073764-0.3065596980080.1027145339610.715580128885-0.96829074095-0.146915959655-0.382436956015-0.5030185048061.02827474992-0.110821845498-6.78821396081E-52.13250560810.06215541265950.4178060495721.85232009794-0.5123683355162.3642226785618.621170481530.858516480467.4022121888
130.04153876431020.0516738671515-0.2303933362330.061144323659-0.3926384569740.0632564847968-0.4216597461911.58281143381.244120771490.3480451763230.4808330983850.1574624208040.169371047897-2.84265855229-0.01677980846892.22010309944-0.3262357020710.607339083583.56053538746-0.4972374668561.8279328044320.28138905852.763363223250.1884071335
141.875055442120.474225095931.407556421654.394874959531.302492175012.54688378921-0.4716642171191.36195795915-0.310749722285-1.387045006180.083026973329-0.0858468888801-0.3032829002660.261267090028-5.46847730252E-51.78755110439-0.1147094567240.3321872655362.15836183317-0.25504057131.517854305812.866448567756.06158262463.282499905
150.379604344777-1.019671051890.4769967730092.538307507621.203295352692.16555599765-0.1889728091970.633393485761-0.260992866023-1.040220695710.189982770017-0.0445401116046-0.444181264537-0.237199835053-2.12931972242E-62.21308213259-0.3458945707980.1221903379062.55934422171-0.5443803905962.02941421509-1.5952813364743.83541473343.2848673503
160.3179625606660.813284504490.3145279478713.813908320260.9533409004333.52904799127-0.5127456946920.4503664744690.19387075746-0.4655200001020.4189827372751.065034786110.858509930931-0.864953425081-0.0001259725916220.9463947605080.1753418893190.1570875985421.04365116006-0.01763743372481.1503973647439.981100436970.74741154872.7504381878
172.17604068137-0.2387187061560.667789373281.92513685574-0.2786842254963.659711610130.2759634565160.959999765839-1.0219265507-0.634574672031-0.142126314267-0.32073123329-0.2608991457750.2910751979433.64024639435E-51.421897420270.1483711357750.2492192385881.09794035796-0.01671476398331.2630619516352.738209297163.233554623657.0026027084
181.368383640261.07798323131.137300118981.378422455041.506038697411.282600018050.4209354449380.7556036013810.643621683084-0.8200952022250.1680272054190.327236571506-0.215892347242-0.3136154831-7.16433810717E-51.364008210770.2605201729450.1881767552981.147186120860.1458102667061.161509148344.406623365272.938396986452.5624490697
191.976295989520.218201506781-0.6821454873331.77390896888-2.267459422463.21026282544-1.310211439470.740544483344-0.280375977821-1.19260361547-0.073691567962-0.174600882051.81405074316-1.54407575694-0.05643821563321.336960304710.3382894355680.2572785302811.06360270994-0.1746133321371.6459613978139.277671514364.533578590656.813707901
201.3402883491-0.2310253208830.1680397727630.60587634502-0.7726354848180.808499044352-0.05391744356690.403306680941-0.911090968793-0.155494148764-0.151854948591-0.621262260071-0.343195452812-0.145581448893-0.0001291398292491.361429798470.1153682109920.1670560258971.111200745260.1492892767471.2205612858351.224079977282.332438480866.6841950858
211.990787035160.607127665001-0.1265690078631.254117309531.060185067281.186900273190.1448304123990.9139542434130.0843409707586-0.463876158508-0.2159647041350.810757604866-0.0910409439315-0.455129381076-1.267401685E-51.485498113190.2350436136660.3225016246311.110322379080.2549042849521.225432771651.6519850990.473274640351.4074373736
221.500003672831.339538221390.3946715449741.022982044320.4335517980840.0787958099938-0.04305844057111.098568193981.351121267340.5322866674470.4286809200110.268887495802-1.61845467427-1.025027814160.0002726255754161.753498853530.05911245686640.3954509592311.110839205360.08225211494361.9097410393951.1307199497102.24480666160.1067031918
231.24693274621-0.2493787456831.465653070820.746081407271-0.5301256161651.890934072450.0633651993605-0.3888444822820.674353050698-0.0220717044883-0.170788041391-0.272865463215-1.0523121030.473187794267-8.39804430099E-51.694006781150.03276017548570.4062320358621.066403311170.189004792451.5408953074158.4248619991101.34666187557.5076583662
240.391413162385-0.08592666955570.3969818117460.135039230212-0.2807609319140.549957895284-1.131344778662.97142912104-1.85491805982-1.61744585362-0.533239205574-0.348276032441-0.5871286914792.17642802201-0.03295334287972.183908231690.5172565835210.570336082642.087513905070.03228152565861.1817310965938.360828427794.120688845976.3164359333
253.18972011112-0.7636734806770.5241851491521.689348577630.0710913091280.5558868916570.184120121895-0.4758061407440.4698067499290.3903184676260.2676707381850.908015805316-1.52375778631-0.367649122859-2.184471003833.82129150946-0.3450328127370.0431267047571-1.086977730671.050304139581.2243345930540.489025873790.8162627219101.970264469
262.02499253-0.9538661858561.479143695610.509558661038-0.2592971120252.564516349730.167607415312-0.228330331649-0.65441412166-0.0701875528686-1.04158427417-1.59221836871-0.8019723381540.804175600673-0.0001103248809221.066882538330.2023924484740.05500674710131.078749582410.09248227108380.98680418943244.565968469270.9603291446109.313019974
270.1470135546150.0404644961308-0.11710123890.293813027945-0.08670254930830.07408873960670.494265922794-1.37124093515-1.567215821941.474025446161.482316585970.087468041837-0.0213442215092-0.2457587130150.001266333195921.160528053660.1592652170260.006237956719861.551898250930.2708004111880.92149761507345.493011354952.8819478094125.74773125
282.760975019870.2984144024451.315178363883.05456020604-0.9499501943381.83097282201-0.0615325636825-0.6719045084090.09267179071550.3791303019690.23274721026-0.032374284064-0.1445765389850.214068679978-1.22711416557E-51.158888661510.210654879152-0.005942179890051.219857659260.1163540914490.90867293236346.824920447969.1917516153125.754829611
296.77488159023-0.58813596051.68290428082.32515171049-0.1055407181690.4120719556030.367149309267-1.326464589630.9120834236141.54907917012-1.01331646027-0.8672856037590.429170737319-0.561668190568-0.3474222425551.306061854290.234948641590.3075211011821.427892772650.3400101454970.38303781738437.100145858874.5694172192109.539453719
300.696221652894-0.524067596789-0.31748542221.23046783928-0.1053266684240.194784337082-0.900578583879-0.129834643152-0.7163039401610.2495652074890.223336190864-0.6165065334270.0951855328371-0.5414689179241.69138909039E-50.9244998827970.003546251891980.07785091963361.299881810930.3614775505721.6317570615628.484571294555.3311414801117.651689058
314.05887829523-2.302571861930.5105487474581.3553185711-0.3643228461570.30768156487-0.589215556644-1.070413684130.0550050873574-0.04829031977281.316228350550.08487759269611.22334510416-0.0670036987491-0.1249037151571.489381531880.2474126941080.3617716526532.016300787930.546898100041.6161081109725.172969975357.0826460328136.040872663
321.505026406371.1630931804-0.9172855262970.793674620485-0.6271265218920.7254200632890.0313696254465-0.1019682456641.565456457730.316272612289-0.1593127623311.15149616417-1.800568612240.388371412262-0.04029792840371.182013437220.263446216650.1820460386081.395541517060.3296650660081.2802837242422.207798988667.1362820929124.287405732
330.004148694317390.02733541015410.06755137929210.7809338782980.9420453383191.059624064930.233236092476-0.0750943731094-1.01123785576-1.44071707020.5327897309791.33542493766-0.9259667517382.040601100860.01701120713040.924096362507-0.126109419702-0.08371327303752.24889139760.2151756669331.9029638042212.91908646860.1181290313112.569898953
341.36974953389-0.0341330181227-1.166195890941.55690188891-0.1851733265372.04672530469-0.350899901114-0.1975597700330.1485693255380.654040235802-0.2325667255750.549624317588-0.625723644565-0.745452958197-0.0001673288183021.195286553890.1468321643520.3199234428541.765077710260.4633016044751.7436530491112.093421429857.2300458366125.002457871
35-0.00974155966328-0.1674721221310.1361617369610.324042325471-0.3860074851180.2958034835930.4122132541790.7371117487070.659179286957-2.25471719419-0.505946429454-1.05504486074-0.116504338764-2.006047932380.003458396148671.733040081590.3024565452320.398421354832.078308994740.6502563849521.0132016016921.044908841774.1485233396106.846420583
360.04644212894870.2234378780990.261255152841.095418658451.155603144871.19080776518-1.300077174490.350970788271-0.4937463573920.367114763946-0.8380411352540.1219873421771.09685578044-1.56179035922-0.03108179831671.29451635273-0.07017243979030.1384454944331.530886256710.0425689458011.1088233352962.2795938573100.203149441112.527521708
370.02435798746420.02157101575290.0632732792330.0649699317648-0.02984726981640.0766666822070.226879296083-0.302223019039-1.27113959252-0.517381192564-0.3864892704720.794862106982.333433773041.008567290680.001163561564581.75663429083-0.3246883724630.0647144507841.50135653774-0.329903886641.254513168810.713357922450.371560313466.2549181385
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 25 through 143 )AA25 - 1431 - 119
22chain 'A' and (resid 144 through 288 )AA144 - 288120 - 264
33chain 'B' and (resid 25 through 109 )BB25 - 1091 - 85
44chain 'B' and (resid 110 through 211 )BB110 - 21186 - 187
55chain 'B' and (resid 212 through 268 )BB212 - 268188 - 244
66chain 'B' and (resid 269 through 288 )BB269 - 288245 - 264
77chain 'C' and (resid 25 through 299 )CC25 - 2991 - 275
88chain 'C' and (resid 300 through 387 )CC300 - 387276 - 363
99chain 'C' and (resid 388 through 671 )CC388 - 671364 - 647
1010chain 'D' and (resid 25 through 159 )DD25 - 1591 - 135
1111chain 'D' and (resid 160 through 204 )DD160 - 204136 - 180
1212chain 'D' and (resid 205 through 361 )DD205 - 361181 - 337
1313chain 'D' and (resid 362 through 416 )DD362 - 416338 - 392
1414chain 'D' and (resid 417 through 512 )DD417 - 512393 - 488
1515chain 'D' and (resid 513 through 675 )DD513 - 675489 - 651
1616chain 'I' and (resid 21 through 51 )IE21 - 511 - 31
1717chain 'I' and (resid 52 through 98 )IE52 - 9832 - 78
1818chain 'I' and (resid 99 through 150 )IE99 - 15079 - 130
1919chain 'I' and (resid 151 through 162 )IE151 - 162131 - 142
2020chain 'J' and (resid 22 through 51 )JF22 - 511 - 30
2121chain 'J' and (resid 52 through 93 )JF52 - 9331 - 72
2222chain 'J' and (resid 94 through 118 )JF94 - 11873 - 97
2323chain 'J' and (resid 119 through 160 )JF119 - 16098 - 139
2424chain 'J' and (resid 161 through 168 )JF161 - 168140 - 147
2525chain 'K' and (resid 21 through 27 )KG21 - 271 - 7
2626chain 'K' and (resid 28 through 51 )KG28 - 518 - 31
2727chain 'K' and (resid 52 through 67 )KG52 - 6732 - 47
2828chain 'K' and (resid 68 through 160 )KG68 - 16048 - 140
2929chain 'L' and (resid 21 through 35 )LH21 - 351 - 15
3030chain 'L' and (resid 36 through 51 )LH36 - 5116 - 31
3131chain 'L' and (resid 52 through 67 )LH52 - 6732 - 47
3232chain 'L' and (resid 68 through 98 )LH68 - 9848 - 78
3333chain 'L' and (resid 99 through 107 )LH99 - 10779 - 87
3434chain 'L' and (resid 108 through 157 )LH108 - 15788 - 137
3535chain 'L' and (resid 158 through 168 )LH158 - 168138 - 148
3636chain 'M' and (resid 1 through 8 )MI1 - 81 - 8
3737chain 'N' and (resid 2 through 10 )NJ2 - 101 - 9

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