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- PDB-9slb: Zuzalysin active bi-pentamer -

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Basic information

Entry
Database: PDB / ID: 9slb
TitleZuzalysin active bi-pentamer
ComponentsZinc-dependent metalloprotease
KeywordsHYDROLASE / metallopeptidase / bi-pentamer / prophyromonas gingivalis
Function / homology
Function and homology information


metallopeptidase activity
Similarity search - Function
EcxA, zinc-binding / Domain of unknown function DUF5117 / Domain of unknown function DUF5118 / Bacterial MMP-like domain / Domain of unknown function (DUF5117) / Domain of unknown function (DUF5118) / Met-zincin / Metallopeptidase, catalytic domain superfamily
Similarity search - Domain/homology
Zinc-dependent metalloprotease
Similarity search - Component
Biological speciesPorphyromonas gingivalis (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3 Å
AuthorsRodriguez-Banqueri, A. / Eckhard, U. / Potempa, J. / Gomis Ruth, F.X.
Funding support Spain, 1items
OrganizationGrant numberCountry
Ministerio de Ciencia e Innovacion (MCIN)PDC2022-133344-I00 Spain
Citation
Journal: To Be Published
Title: Structure of Zuzalysin metallopeptidase bi-pentamer at 3.0 Angstroms resolution
Authors: Rodriguez-Banqueri, A. / Gomis-Ruth, F.X. / Eckhard, U. / Potempa, J.
#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
DepositionSep 3, 2025Deposition site: PDBE / Processing site: PDBE
Revision 1.0Sep 16, 2026Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Zinc-dependent metalloprotease
B: Zinc-dependent metalloprotease
C: Zinc-dependent metalloprotease
D: Zinc-dependent metalloprotease
E: Zinc-dependent metalloprotease
F: Zinc-dependent metalloprotease
G: Zinc-dependent metalloprotease
H: Zinc-dependent metalloprotease
I: Zinc-dependent metalloprotease
J: Zinc-dependent metalloprotease
hetero molecules


Theoretical massNumber of molelcules
Total (without water)950,02552
Polymers946,91410
Non-polymers3,11142
Water11,061614
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration, electron microscopy
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)129.800, 129.400, 188.500
Angle α, β, γ (deg.)98.200, 104.700, 115.100
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails (eV)
d_1ens_1(chain "A" and (resid -1 through 755 or resid 802 through 1000))
d_2ens_1(chain "B" and (resid -1 through 755 or resid 802 through 1000))
d_3ens_1(chain "C" and (resid -1 through 755 or resid 802 through 1000))
d_4ens_1(chain "D" and (resid -1 through 755 or resid 802 through 1000))
d_5ens_1(chain "E" and (resid -1 through 755 or resid 802 through 1000))
d_6ens_1(chain "F" and (resid -1 through 755 or resid 802 through 1000))
d_7ens_1(chain "G" and (resid -1 through 755 or resid 802 through 1000))
d_8ens_1(chain "H" and (resid -1 through 755 or resid 802 through 1000))
d_9ens_1(chain "I" and (resid -1 through 755 or resid 802 through 1000))
d_10ens_1(chain "J" and (resid -1 through 755 or resid 802 through 1000))

NCS domain segments:

Ens-ID: ens_1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11GLNGLNSERSERAA-1 - 75513 - 724
d_12ARGARGASNASNAA802 - 859771 - 828
d_13CACACACAAK901
d_14ZNZNZNZNAL902
d_15GOLGOLGOLGOLAM903
d_21GLNGLNSERSERBB-1 - 75513 - 724
d_22ARGARGASNASNBB802 - 859771 - 828
d_23CACACACABP901
d_24ZNZNZNZNBQ902
d_25GOLGOLGOLGOLBR903
d_31GLNGLNSERSERCC-1 - 75513 - 724
d_32ARGARGASNASNCC802 - 859771 - 828
d_33CACACACACT901
d_34ZNZNZNZNCU902
d_35GOLGOLGOLGOLCV903
d_41GLNGLNSERSERDD-1 - 75513 - 724
d_42ARGARGASNASNDD802 - 859771 - 828
d_43CACACACADY901
d_44ZNZNZNZNDZ902
d_45GOLGOLGOLGOLDAA903
d_51GLNGLNSERSEREE-1 - 75513 - 724
d_52ARGARGASNASNEE802 - 859771 - 828
d_53CACACACAECA901
d_54ZNZNZNZNEDA902
d_55GOLGOLGOLGOLEEA903
d_61GLNGLNSERSERFF-1 - 75513 - 724
d_62ARGARGASNASNFF802 - 859771 - 828
d_63CACACACAFIA901
d_64ZNZNZNZNFJA902
d_65GOLGOLGOLGOLFKA903
d_71GLNGLNSERSERGG-1 - 75513 - 724
d_72ARGARGASNASNGG802 - 859771 - 828
d_73CACACACAGNA901
d_74ZNZNZNZNGOA902
d_75GOLGOLGOLGOLGPA903
d_81GLNGLNSERSERHH-1 - 75513 - 724
d_82ARGARGASNASNHH802 - 859771 - 828
d_83CACACACAHRA901
d_84ZNZNZNZNHSA902
d_85GOLGOLGOLGOLHTA903
d_91GLNGLNSERSERII-1 - 75513 - 724
d_92ARGARGASNASNII802 - 859771 - 828
d_93CACACACAIUA901
d_94ZNZNZNZNIVA902
d_95GOLGOLGOLGOLIWA903
d_101GLNGLNSERSERJJ-1 - 75513 - 724
d_102ARGARGASNASNJJ802 - 859771 - 828
d_103CACACACAJXA901
d_104ZNZNZNZNJYA902
d_105GOLGOLGOLGOLJZA903

NCS oper:
IDCodeMatrixVector
1given(0.42687477918241, -0.90430501210898, 0.003219933623936), (0.7554632827501, 0.35465284321904, -0.55090524522199), (0.49704441583666, 0.23760009653035, 0.83456158719076)-6.7144616703251, -41.478947115345, -8.9857940483535
2given(-0.50406273320809, -0.70375857395981, 0.50064421555516), (0.31783396988473, -0.69014614005407, -0.65013834908871), (0.80305811033705, -0.16858877467532, 0.57155533107073)27.988359011642, -56.419684883016, -29.695788357081
3given(-0.50132216501001, 0.32558342866135, 0.80166795985046), (-0.70875767216912, -0.68597482135138, -0.16462413739593), (0.49632514444776, -0.65071804604841, 0.57465413557708)56.116977883221, -24.090254538304, -33.280810073808
4given(0.42643383171407, 0.75844188629988, 0.492869244603), (-0.90451744937959, 0.35663802866101, 0.23378943577634), (0.0015397848843375, -0.54550455691833, 0.83810644159548)38.779498468109, 10.660774968334, -14.892877389331
5given(-0.61857181078176, 0.78394666582826, 0.052882322594049), (0.78402437773335, 0.61140087517922, 0.10721354835058), (0.051717405445542, 0.10778030880845, -0.99282864332529)95.173313311339, -49.898466959345, 50.477354087802
6given(-0.9723942792639, -0.22062933219881, -0.075974097088026), (-0.21907254773626, 0.75106113907732, 0.62282773235962), (-0.080352874766098, 0.62227796292444, -0.77866138492636)78.727819438296, -14.683295659333, 68.766783969406
7given(-0.21652250500117, -0.77250440864176, -0.59695472479666), (-0.77121739435228, -0.2395816640844, 0.5897663578766), (-0.59861651787809, 0.58807955657682, -0.54389401509845)39.814816877389, -24.615588388355, 84.301208412302
8given(0.60864406734512, -0.10507841545118, -0.7864546559668), (-0.10184424726975, -0.99333896970157, 0.053902138828426), (-0.78688000901258, 0.047288665433596, -0.6152915028975)32.371266093843, -66.203576467381, 75.384535082085
9given(0.35682944305417, 0.85057208227864, -0.38626400481772), (0.85188643628538, -0.46596181397746, -0.23910058048408), (-0.38335655497544, -0.24373493956142, -0.89085971454228)66.472213423999, -81.646988795532, 54.623896040172

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Components

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Protein , 1 types, 10 molecules ABCDEFGHIJ

#1: Protein
Zinc-dependent metalloprotease


Mass: 94691.438 Da / Num. of mol.: 10
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Porphyromonas gingivalis (bacteria) / Gene: NY149_10785 / Production host: Escherichia coli (E. coli) / References: UniProt: A0AAF0BD41

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Non-polymers , 5 types, 656 molecules

#2: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: Ca / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: Zn / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical...
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 21 / Source method: obtained synthetically / Formula: C3H8O3
#5: Chemical ChemComp-TRS / 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / TRIS BUFFER


Mass: 122.143 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C4H12NO3 / Comment: pH buffer*YM
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 614 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
Has protein modificationN

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Experimental details

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Experiment

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

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Sample preparation

CrystalDensity Matthews: 2.81 Å3/Da / Density % sol: 56.18 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: Sodium dihydrogen phosphate 1.2M, Di-potasium hydrogen phosphate 0.8M, Lithium sulfate anhydre 0.2M, CAPS 0.1M pH 10.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALBA / Beamline: XALOC / Wavelength: 0.9793 Å
DetectorType: DECTRIS PILATUS3 X 6M / Detector: PIXEL / Date: May 10, 2024
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9793 Å / Relative weight: 1
ReflectionResolution: 3→84.16 Å / Num. obs: 200908 / % possible obs: 97.1 % / Redundancy: 3.4 % / Biso Wilson estimate: 78.19 Å2 / CC1/2: 0.988 / Net I/σ(I): 6.4
Reflection shellResolution: 3→3.18 Å / Rmerge(I) obs: 0.172 / Num. unique obs: 998 / Rrim(I) all: 0.206

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Processing

Software
NameVersionClassification
PHENIX2.0rc1_5617refinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3→84.16 Å / SU ML: 0.5924 / Cross valid method: FREE R-VALUE / σ(F): 1.91 / Phase error: 37.2396
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2963 998 0.5 %
Rwork0.2565 199812 -
obs0.2567 200810 97.42 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 101.1 Å2
Refinement stepCycle: LAST / Resolution: 3→84.16 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms62553 0 154 614 63321
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.010964167
X-RAY DIFFRACTIONf_angle_d1.527186854
X-RAY DIFFRACTIONf_chiral_restr0.07999383
X-RAY DIFFRACTIONf_plane_restr0.022311294
X-RAY DIFFRACTIONf_dihedral_angle_d8.75128571
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS0.97322319096662
ens_1d_3AAX-RAY DIFFRACTIONTorsion NCS0.94775365980178
ens_1d_4AAX-RAY DIFFRACTIONTorsion NCS0.99873387716318
ens_1d_5AAX-RAY DIFFRACTIONTorsion NCS0.85841432983924
ens_1d_6AAX-RAY DIFFRACTIONTorsion NCS1.0386334284031
ens_1d_7AAX-RAY DIFFRACTIONTorsion NCS0.99828691247075
ens_1d_8AAX-RAY DIFFRACTIONTorsion NCS1.049571030791
ens_1d_9AAX-RAY DIFFRACTIONTorsion NCS1.0830756863062
ens_1d_10AAX-RAY DIFFRACTIONTorsion NCS1.1232221390415
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3-3.160.38991290.359828466X-RAY DIFFRACTION97.13
3.16-3.360.39951420.336328608X-RAY DIFFRACTION97.81
3.36-3.620.36691480.289328650X-RAY DIFFRACTION97.69
3.62-3.980.30151360.260128548X-RAY DIFFRACTION97.44
3.98-4.550.27151480.219728683X-RAY DIFFRACTION97.91
4.55-5.740.24661380.23328655X-RAY DIFFRACTION97.69
5.74-84.160.28011570.242528202X-RAY DIFFRACTION96.31
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
10.567366859470160.294760766155450.320134177808910.92889118652687-0.0611335965185530.17788047760963-0.15470280367124-0.38125381312885-0.0613305752535020.244192480567240.067952979639139-0.048257871588612-0.02263921030486-0.19416324009173-0.216935747650930.860565157740560.13524521331030.0251031103074610.67552646670485-0.111551513648860.672519628043559.8624196349795-17.55129908077718.205479676805
20.769242609629680.231764472424360.344684810573510.65558135376904-0.0249727562532130.24658618248454-0.22085088884755-0.314860413432320.268440168767050.291220361871150.072192183117835-0.0063978899609266-0.51311389094071-0.48200707344347-0.000556723557791811.07994678160350.23885857490437-0.031019306527430.76731844065893-0.192831259257720.91498208947798-12.758969743484.34731860928619.1471530629597
31.0203956126941-0.0802929618024120.375460789852720.61089487512646-0.124438368327790.50792560589269-0.235262457947380.0548045556973440.277197530326270.0054636940293388-0.10365479225795-0.12490638680465-0.30636315789593-0.10440962783026-0.000720072838430541.05660518072540.054984096472101-0.142368059561290.665817430008060.0110031003457861.0802296735399-8.49672142684177.6471332874454-25.741056398127
40.90673506373286-0.1258097994455-0.16423905857090.549452839076630.205933172030940.693137368338630.18715798228096-0.13122097229908-0.25390590392159-0.010631272361544-0.071151032561359-0.00591752386323810.173975863388750.152327311010110.479665773333620.44524300705602-0.161487715955280.0721486079139010.311285531830930.0344967435608020.581831633826313.274220544563-50.1114097236956.8264983638106
50.57492093393462-0.0733282201584630.232300084956310.31817710937114-0.159660839389650.931894175565050.25188226669739-0.096948028033948-0.27508058220822-0.34012278648417-0.0124549814299940.366149584038330.079832118749082-0.36383543043081-0.00132067118109960.63704845305288-0.113642322751410.0160010748393160.630540216557270.0101370675978880.93329250292004-16.257106748288-54.385677985784-6.7487507457466
60.68859996566167-0.21901127035220.334200914502540.575482357266-0.154192917998740.606669600521960.100260668370350.110299071681420.042234932218942-0.21816506963620.0200724031868320.154781062904640.067338680505263-0.132753373993435.1599273257264E-50.87677261121670.060461047555059-0.0124720254400110.73142330790198-0.084129590187090.88575045657726-17.597125144092-31.065567461029-33.025445378743
71.10771494112070.492762530677170.157678342163780.70463827994207-0.522959970994340.793406227067720.253176740418310.34887018960021-0.0087480313285557-0.027067640814858-0.19131926417889-0.0864430900767810.349586473907310.36280661297621-0.383327389132670.827649200229610.152842744129740.00673174542941090.72076529979081-0.0649049012136460.6441169698069343.945200876734-52.86149462005-9.0111528176255
80.303770996908670.0299558628245820.0157579293882820.45561575377084-0.242717822627890.4835601424290.48384124778450.63249743049563-0.39182442860239-0.34839176332112-0.301021755208310.113783938044520.505346589968450.60347290485441-0.0021482330378051.23182604030070.48932122497633-0.169291792011161.1928483997651-0.361861662338770.9113853894194135.532029564393-69.326381584317-35.626151650973
90.80666927892550.025970918784330.381559462186950.53901641549351-0.0793538098012980.64199757466990.357586396479450.5138687468768-0.11854353392656-0.26046408000159-0.302859308090140.16910371919140.309442100637450.22080574513623-0.00033159352729831.20114129058510.34220850132053-0.126157708317291.1574162760958-0.178490014666790.8370012124990413.732284472509-47.885644526283-52.777660749138
101.0144999139179-0.065296140781530.413145518970780.565832833905250.16574987848530.84703114792774-0.0453864828787210.310424325280090.205080640181360.1076404667731-0.18742074159482-0.24854073769407-0.0181725482625040.50833040638111-0.99921716452340.51600296458541-0.0500716031123230.0666599657454750.845741133439270.118061807250440.6645980298865159.770768948128-22.068584575168-7.0086279986099
110.23128058390972-0.13620520153977-0.0258489299204150.18342352260719-0.103118874569910.59098544927426-0.0881627876934560.807052052585460.22464722329204-0.23074546682209-0.18689936652272-0.20915732489079-0.271103979319130.35043054952285-1.15835009854220.57839163319322-0.0451542228078280.25515453837381.94459660137370.46959108023410.8921396005345271.113617131304-19.595996469027-37.406174178633
120.39893429191027-0.0917781885182940.139017799115150.56760478896763-0.12005996072650.262486938563470.11002472490560.928642227420730.21087391818556-0.25016445281281-0.32633667502512-0.127727287639820.11274088999420.64707648280808-0.021772121512431.03356645378570.122383459585610.103637350653981.86489487103290.267512189136690.7922364401364642.335984991271-19.195885290395-57.608550343435
130.553021823038340.181235631299470.140998306055130.374833130393010.0160621957401190.64283979456291-0.267793351358970.0329408305896850.379786555708160.29403045067102-0.10130691307413-0.12505659287285-0.33980234804780.31145650510515-0.676365678983720.77565692316512-0.1531877961975-0.105072879506290.494452686546690.0518566170393360.7414169011089438.506264944994-0.173155607961059.2978996478157
140.52768824187202-0.12814381257061-0.258803433025190.210876879213020.0982169127253470.13351178821144-0.400769830709780.201546210853840.69535623358612-0.0447734430262340.046927946511645-0.042922998394235-0.334189675669660.089260133586646-0.17071571497581.1249501643846-0.33169920365256-0.365888038841680.835847595414460.348629759434531.386726942225341.1178467386425.86842716421-9.8102796028863
150.387813627151930.31961205950882-0.194608916641630.23530085890833-0.0458740054142760.40388372430918-0.412577866688370.329535568630680.33264675699218-0.062686681195065-0.13835847288159-0.14243625598949-0.126877809812460.7110982160584-0.000519877226389121.1450547351433-0.17280333531659-0.186877585216891.34491188877240.497504333318271.146107287016328.4638721615415.297256120136-40.811527716522
160.742298764261150.297284045826470.0229455684037280.770489523864350.137969387534470.79750380697832-0.0375307341843850.499148303636090.069011544190568-0.25038113898914-0.17408688950186-0.057812459518459-0.0274245542924660.69661896443337-0.407310101457150.807955337794380.0459665268852020.0412856167927570.868980940576720.105913026764880.6749579302426876.406211872794-50.90964452571531.14637021832
170.355948343901820.13594058325450.309883364340670.35345738799539-0.147283176283020.36992960397892-0.0279751023643370.616460297657970.11050338692143-0.20160366198508-0.16998168642664-0.113573041540470.180023925437520.91469024466223-0.017785131134930.659250806274760.0210740991453830.207787740361311.58225489002770.202996026099850.99513512721791107.0146649667-56.19849450297141.406918262498
180.655175224737090.343068411772560.282346252675040.52838352871544-0.133438614103620.67784093170759-0.176258103131140.0265046115091060.217725089122050.198579499198360.042054930902649-0.19550144246371-0.0231311170904160.62943017921965-7.1066300456991E-50.99202717907080.11251779248125-0.0753925181409131.32161008633550.0666413635205721.069048120737105.40236222806-54.70716407684976.621457937935
191.11030089333530.23458225610047-0.0466163215580940.67449447035937-0.179512927737291.51361960572630.301191477182680.17910544285681-0.013289454081767-0.14323655683294-0.0343096115470890.0454853231542040.31253349227663-0.168252619511060.692153739694610.693081086690230.00214512289983640.0160008356938830.52281132800449-0.0466105722008890.5379659302152148.109426161743-69.4489945782838.91569176629
200.61412415665850.09874381639314-0.00449762785460430.049307449563004-0.228937246829120.80258298294050.456661657997310.21460549194299-0.52155909779286-0.21406437871454-0.051501269763835-0.0261301480191171.02824864399930.224367882050040.0192299124934271.54158900449330.17579430858069-0.245094491946320.69558689404894-0.177825729883311.214266463612862.185915540582-96.59200941342250.449350175133
210.4840147653704-0.484479078782060.155588216048820.561781575472930.212344288489950.850327086693490.30689868869363-0.14295440294064-0.19809292456058-0.0060971081844148-0.085694376874023-0.0736097047113270.616173452604440.173014705477980.000159565990850031.38630433534690.1635398127148-0.170602711920760.991387294472310.128169235576781.062544703359580.03011570626-86.39570415970778.99517081383
220.73578971643431-0.0843366370042180.0262391829896110.638772126902620.197620748859450.38635946287845-0.12798896912532-0.247358596500560.24682381121636-0.148322830621310.013587600017402-0.04627547410779-0.40967295395501-0.79170690230365-0.0119840448694530.747450833439150.179795024328140.0191732590578541.1064474129643-0.0864910521293490.6999272565464225.970927479646-48.71187110837255.558020620244
230.46661518549920.37113897644440.431215292991140.40381778016440.187410443046321.31375211286120.074421570083009-1.02212278352090.117339695557990.11809818413333-0.167018598327950.17042917515096-0.026140298213662-1.4063580407176-0.467293591226070.64519269996457-0.410629871836180.213945431614852.0204746335590.224965388857070.8372673066993116.947663139378-68.48550824577980.145756589757
240.642635429865930.42255933973741-0.0370643210523691.03093114262940.0963329784118530.0223724495754470.055968878928811-0.89214383289512-0.212235528738190.330440432717410.18521454941418-0.0306411311327750.45492337694462-0.68713160287010.0390138183853641.1911574977888-0.157603143894990.0286478682238411.60053158355310.252759999455450.7230398102466846.37873406391-74.46871381132698.447173240621
250.55468886006020.038859432480877-0.361083847904520.276999024969020.289598160335580.51173054169692-0.52751428155091-0.0454150063815590.491981312287850.062298697087588-0.066474422483140.0096398860368427-1.0623456236037-0.59374719883693-1.62447784359841.57294134072440.43915579620873-0.504569805992740.98318278351076-0.255792759087531.000720907095940.464637165977-17.62458210146258.542133463044
260.59666470098747-0.063259039150747-0.0640884612472310.156679265051330.203545524386460.49177767463754-0.59554365604862-0.465830386149240.806161029379370.0994641173493870.0370019641310520.079244563540685-0.87022095705803-0.64921010716374-0.54116191502081.77888840533860.88239644757175-0.497923306582781.5390496173111-0.721712778098811.26219308163633.487842016198-10.87621732192489.809038818699
270.883139533221750.403691184976240.0392958115144970.79288834023985-0.0270347522054120.50861863096933-0.44620533708917-0.664976544680670.249098415458940.366940760666170.165645320132-0.081010384074862-0.47893188121015-0.8471256909456-0.0529489405253131.43558570934010.51569445889438-0.20297829261821.7428786820694-0.352589573216110.7835449253372150.785930463588-35.420138313324108.42003342457
280.25176052207375-0.0334067016778310.31955992281690.622711731052560.271930803421110.53168423541709-0.401935364264270.287330842220730.58515572761628-0.0022318480700631-0.18995968454347-0.032579457649858-0.783035565947450.12617401937874-2.8686064477031.05099760209-0.25341877368309-0.442979980930340.514748423346150.197139470408040.9820645693997771.607705596549-18.82870454144643.280713266412
290.36782872714031-0.0235544337522740.32604049034150.53150678018370.102038398979670.59870712956221-0.675474471365790.111567788498110.815159914455250.010683087293425-0.23302196522997-0.3403689658444-1.15031062465940.27992437279713-1.13625766047092.0393599113107-0.43183298444778-0.935372988356570.756546960811250.164226918194511.620227554329789.414454476492-3.029119036954665.681555686023
300.561819848941150.14017436703262-0.110546849481720.96717068249979-0.306306626413280.34933658836962-0.42563961759194-0.156444331328250.411121566596470.11405999331031-0.24044312362273-0.16978370338962-0.75317057847473-0.014677855151182-0.172298141646731.74576767440410.18062682503724-0.612995517029851.1178297727417-0.218381193406071.182052204040487.362912588581-22.92125805202294.642093504944
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain E and (resid -4:246)EQ-4 - 2461 - 206
22chain E and (resid 247:565 or resid 998:1000)EQ - T247 - 1000207
33chain E and resid 566:859EQ566 - 859526 - 779
44chain A and (resid -4:246)AA-4 - 2461 - 206
55chain A and (resid 247:565 or resid 998:1000)AA - D247 - 1000207
66chain A and resid 566:859AA566 - 859526 - 778
77chain B and (resid -1:246)BE-1 - 2461 - 203
88chain B and (resid 247:565 or resid 998:1000)BE - H247 - 1000204
99chain B and resid 566:859BE566 - 859523 - 772
1010chain C and resid -2:246CI-2 - 2461 - 204
1111chain C and (resid 247:565 or resid 998:1000)CI - L247 - 1000205
1212chain C and resid 566:859CI566 - 859524 - 774
1313chain D and (resid -1:246)DM-1 - 2461 - 203
1414chain D and (resid 247:565 or resid 998:1000)DM - P247 - 1000204
1515chain D and resid 566:859DM566 - 859523 - 773
1616chain G and (resid -4:246)GY-4 - 2461 - 206
1717chain G and (resid 247:565 or resid 998:1000)GY - AB247 - 1000207
1818chain G and resid 566:859GY566 - 859526 - 776
1919chain F and (resid -4:246)FU-4 - 2461 - 206
2020chain F and (resid 247:565 or resid 998:1000)FU - X247 - 1000207
2121chain F and resid 566:859FU566 - 859526 - 776
2222chain J and (resid -4:246)JJ-4 - 2461 - 206
2323chain J and (resid 247:565 or resid 998:1000)JJ247 - 1000207
2424chain J and resid 566:859JJ566 - 859526 - 775
2525chain I and (resid -2:246)II-2 - 2461 - 204
2626chain I and (resid 247:565 or resid 998:1000)II247 - 1000205
2727chain I and resid 566:859II566 - 859524 - 772
2828chain H and (resid -3:246)HH-3 - 2461 - 205
2929chain H and (resid 247:565 or resid 998:1000)HH247 - 1000206
3030chain H and resid 566:859HH566 - 859525 - 775

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