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- PDB-7now: Complex of Nucleoporin-98 and nanobody MS98-27 solved at 1.85A re... -

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Basic information

Entry
Database: PDB / ID: 7now
TitleComplex of Nucleoporin-98 and nanobody MS98-27 solved at 1.85A resolution
Components
  • Anti-Nup98 nanobody MS98-27
  • Nuclear pore complex protein Nup98
KeywordsNUCLEAR PROTEIN / Nup98 / Nanobody / complex
Function / homology
Function and homology information


structural constituent of nuclear pore / mRNA transport / nuclear pore / protein transport / nuclear membrane
Similarity search - Function
Nup98, Gle2-binding sequence / Nucleoporin FG repeat / Nucleoporin FG repeat region / Nuclear pore complex protein NUP96, C-terminal domain / Nuclear protein 96 / Nuclear pore complex protein Nup98-Nup96-like, autopeptidase S59 domain / Nuclear pore complex protein Nup98-Nup96-like, autopeptidase S59 domain superfamily / Nucleoporin peptidase S59-like / Nup98-96 autopeptidase S59 / NUP C-terminal domain profile. ...Nup98, Gle2-binding sequence / Nucleoporin FG repeat / Nucleoporin FG repeat region / Nuclear pore complex protein NUP96, C-terminal domain / Nuclear protein 96 / Nuclear pore complex protein Nup98-Nup96-like, autopeptidase S59 domain / Nuclear pore complex protein Nup98-Nup96-like, autopeptidase S59 domain superfamily / Nucleoporin peptidase S59-like / Nup98-96 autopeptidase S59 / NUP C-terminal domain profile. / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
Nuclear pore complex protein Nup98-Nup96
Similarity search - Component
Biological speciesVicugna pacos (alpaca)
Xenopus tropicalis (tropical clawed frog)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.85 Å
AuthorsSola-Colom, M. / Trakhanov, S. / Goerlich, D.
CitationJournal: EMBO J / Year: 2024
Title: A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies.
Authors: Mireia Solà Colom / Zhenglin Fu / Philip Gunkel / Thomas Güttler / Sergei Trakhanov / Vasundara Srinivasan / Kathrin Gregor / Tino Pleiner / Dirk Görlich /
Abstract: Nuclear pore complex (NPC) biogenesis is a still enigmatic example of protein self-assembly. We now introduce several cross-reacting anti-Nup nanobodies for imaging intact nuclear pore complexes from ...Nuclear pore complex (NPC) biogenesis is a still enigmatic example of protein self-assembly. We now introduce several cross-reacting anti-Nup nanobodies for imaging intact nuclear pore complexes from frog to human. We also report a simplified assay that directly tracks postmitotic NPC assembly with added fluorophore-labeled anti-Nup nanobodies. During interphase, NPCs are inserted into a pre-existing nuclear envelope. Monitoring this process is challenging because newly assembled NPCs are indistinguishable from pre-existing ones. We overcame this problem by inserting Xenopus-derived NPCs into human nuclear envelopes and using frog-specific anti-Nup nanobodies for detection. We further asked whether anti-Nup nanobodies could serve as NPC assembly inhibitors. Using a selection strategy against conserved epitopes, we obtained anti-Nup93, Nup98, and Nup155 nanobodies that block Nup-Nup interfaces and arrest NPC assembly. We solved structures of nanobody-target complexes and identified roles for the Nup93 α-solenoid domain in recruiting Nup358 and the Nup214·88·62 complex, as well as for Nup155 and the Nup98 autoproteolytic domain in NPC scaffold assembly. The latter suggests a checkpoint linking pore formation to the assembly of the Nup98-dominated permeability barrier.
History
DepositionFeb 26, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Apr 7, 2021Provider: repository / Type: Initial release
Revision 1.1Aug 2, 2023Group: Database references / Source and taxonomy / Structure summary
Category: database_2 / entity ...database_2 / entity / entity_name_com / entity_src_gen / struct_ref / struct_ref_seq / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity.pdbx_description / _entity_src_gen.gene_src_common_name / _struct_ref.db_code / _struct_ref.pdbx_align_begin / _struct_ref.pdbx_db_accession / _struct_ref_seq.db_align_beg / _struct_ref_seq.db_align_end / _struct_ref_seq.pdbx_db_accession / _struct_ref_seq_dif.pdbx_seq_db_accession_code
Revision 1.2Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.3May 22, 2024Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.4Oct 16, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _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: Anti-Nup98 nanobody MS98-27
B: Nuclear pore complex protein Nup98
C: Anti-Nup98 nanobody MS98-27
D: Nuclear pore complex protein Nup98
hetero molecules


Theoretical massNumber of molelcules
Total (without water)62,8389
Polymers62,5034
Non-polymers3345
Water7,170398
1
A: Anti-Nup98 nanobody MS98-27
B: Nuclear pore complex protein Nup98
hetero molecules


Theoretical massNumber of molelcules
Total (without water)31,3714
Polymers31,2522
Non-polymers1192
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Anti-Nup98 nanobody MS98-27
D: Nuclear pore complex protein Nup98
hetero molecules


Theoretical massNumber of molelcules
Total (without water)31,4675
Polymers31,2522
Non-polymers2153
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)113.800, 149.810, 85.090
Angle α, β, γ (deg.)90.000, 133.089, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z
Components on special symmetry positions
IDModelComponents
11B-1075-

HOH

21B-1102-

HOH

31B-1103-

HOH

41C-366-

HOH

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Components

#1: Antibody Anti-Nup98 nanobody MS98-27


Mass: 13919.286 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Vicugna pacos (alpaca) / Plasmid: pMSC130 / Production host: Escherichia coli (E. coli) / Strain (production host): NEB Express
#2: Protein Nuclear pore complex protein Nup98


Mass: 17332.453 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Xenopus tropicalis (tropical clawed frog)
Gene: nup98 / Plasmid: pTP290 / Production host: Escherichia coli (E. coli) / Strain (production host): NEB Express / References: UniProt: A0A6I8SCP2
#3: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Na / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: SO4 / Feature type: SUBJECT OF INVESTIGATION
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 398 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY
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 % sol: 84 % / Description: Chunky prisms
Crystal growTemperature: 278 K / Method: vapor diffusion, hanging drop / pH: 9
Details: 34% (v/v) PO/OH, 0.1 M Tris-HCl pH9, 0.16 M ammonium sulfate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 1.033 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jul 20, 2018 / Details: Dynamically bendable mirrow
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.033 Å / Relative weight: 1
ReflectionResolution: 1.85→47.83 Å / Num. obs: 88309 / % possible obs: 99.3 % / Redundancy: 6.8 % / Biso Wilson estimate: 45.5 Å2 / CC1/2: 0.999 / Rpim(I) all: 0.029 / Rrim(I) all: 0.07 / Net I/σ(I): 16.9
Reflection shellResolution: 1.85→1.9 Å / Redundancy: 5.9 % / Mean I/σ(I) obs: 0.65 / Num. unique obs: 6453 / CC1/2: 0.395 / % possible all: 98.4

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Processing

Software
NameVersionClassification
PHENIX1.16_3549refinement
PHENIX1.16_3549refinement
XDSdata reduction
XSCALEdata scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5E0Q

5e0q


Resolution: 1.85→47.83 Å / SU ML: 0.2808 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 28.5509
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2092 4411 5 %
Rwork0.1838 83773 -
obs0.1851 88184 99.72 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 54.54 Å2
Refinement stepCycle: LAST / Resolution: 1.85→47.83 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4393 0 17 398 4808
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00724520
X-RAY DIFFRACTIONf_angle_d0.8966127
X-RAY DIFFRACTIONf_chiral_restr0.0565645
X-RAY DIFFRACTIONf_plane_restr0.0054797
X-RAY DIFFRACTIONf_dihedral_angle_d3.42182844
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.85-1.870.4781430.46642697X-RAY DIFFRACTION97.29
1.87-1.890.39121460.43512762X-RAY DIFFRACTION99.01
1.89-1.920.3781470.37862797X-RAY DIFFRACTION99.43
1.92-1.940.35331450.36412774X-RAY DIFFRACTION99.42
1.94-1.970.36681450.34512767X-RAY DIFFRACTION99.83
1.97-1.990.36041480.33852797X-RAY DIFFRACTION99.83
1.99-2.020.35521460.32342779X-RAY DIFFRACTION99.39
2.02-2.050.31831450.29232763X-RAY DIFFRACTION99.66
2.05-2.080.27991480.28512809X-RAY DIFFRACTION99.7
2.08-2.120.28771480.25512809X-RAY DIFFRACTION99.8
2.12-2.150.28021450.25322752X-RAY DIFFRACTION99.83
2.15-2.190.2511470.23552799X-RAY DIFFRACTION99.73
2.19-2.240.26211480.2282795X-RAY DIFFRACTION99.9
2.24-2.280.24111470.22442795X-RAY DIFFRACTION99.83
2.28-2.330.21661460.21432768X-RAY DIFFRACTION99.93
2.33-2.380.2881480.21222826X-RAY DIFFRACTION99.93
2.38-2.440.24441460.21652772X-RAY DIFFRACTION99.93
2.44-2.510.24611480.20622812X-RAY DIFFRACTION99.87
2.51-2.580.25121470.21072787X-RAY DIFFRACTION99.97
2.58-2.670.23981470.19892792X-RAY DIFFRACTION99.97
2.67-2.760.22451490.19562823X-RAY DIFFRACTION99.97
2.76-2.870.22941460.2012788X-RAY DIFFRACTION100
2.87-30.24831480.20212797X-RAY DIFFRACTION100
3-3.160.21881470.20282806X-RAY DIFFRACTION100
3.16-3.360.22881480.19142813X-RAY DIFFRACTION99.97
3.36-3.620.17731480.16862801X-RAY DIFFRACTION100
3.62-3.980.17531470.15322800X-RAY DIFFRACTION100
3.98-4.560.14641490.12642821X-RAY DIFFRACTION100
4.56-5.750.14881480.12352828X-RAY DIFFRACTION99.97
5.75-47.80.17791510.15142844X-RAY DIFFRACTION99.73
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)
14.468162419110.7471495478212.749939610631.26576621299-1.42350733045.534655800530.151497559527-0.00370601206089-0.879021269714-0.3985787129050.03842219063161.118788846590.133719291698-0.588323516572-0.190388851480.332448657863-0.08784759716460.02626034380740.484108626592-0.03085718798240.463643680512-29.163487441654.758882758153.8254547519
27.99441645589-3.796884222972.911954719482.72842806764-3.54716495127.332376741850.156257330664-0.75124534352-0.755526290096-0.2648935428340.3789023525710.8537730871730.101062901267-0.730761327755-0.4208361922740.329857278179-0.0298569160714-0.003435963443610.4223230244030.00857998358020.534844683913-25.776837030453.853332850358.3948688254
38.90871803774-2.444322123374.348339130822.87217932183-4.457910518158.847136396290.540011336958-0.0881033035746-0.857133831953-0.173590540509-0.2749744671330.3726503814710.6381076005120.08710988349020.1033628644310.434115738180.0170757753472-0.06936417974930.308836416529-0.04177407300310.481560207532-16.182229141453.187996834553.8139866549
42.383948101573.611393552563.398779061867.409786525022.867506500728.30700101353-0.1069194748150.912724917881-0.239127002316-0.9268890466820.3397924481860.363951715533-0.105767746854-0.465292024769-0.4861668792830.4622966074810.0677524448957-0.09010578362740.746798562142-0.1068051962330.443913037722-22.122380747459.402223498144.4395147413
52.15120041410.314582922758-0.4488969112320.217668669640.05389192822453.549360110150.06977905105570.1382564925520.0369816570236-0.001910282641260.08087346952070.218211647861-0.1326235712360.0930689160207-0.1304627835440.4795015288030.0700749091021-0.09814394416860.365851098161-0.04213801416480.527141224109-17.929989522563.922745667455.7550956737
65.693769191-6.002025462844.518303283697.38862500782-6.335173096626.393269462350.17577263266-0.0720736540203-0.0259104392881-0.318511175598-0.2465172544580.1442242757080.14400323259-0.0882115677550.04056964774010.398981008011-0.00391079004586-0.006895636757510.393062993824-0.02649115569870.540155218891-23.147732376656.712553822661.2681265974
79.84579869144-3.159888117050.1959420780357.768627429735.148073509875.399916679390.1993391822021.416591178690.25799031709-1.1433704466-0.3915810760320.420671723992-1.35339867856-0.6689586566490.2320093315430.5822996284550.0957999369159-0.07365871424810.6925656586480.01155177701730.484977023352-32.446611524667.531421534447.8071150899
82.58432472493-2.01836419719-1.231600650133.36891080247-0.5940370336342.244540512630.008936306274020.455967989538-0.576441017158-0.279687821345-0.2220180993260.241061759457-0.154992217598-0.1579797712220.1795628981280.3737287023230.0250499263303-0.05409053554110.341203038779-0.01982289389720.365906198912-16.205671292255.471294059849.4283626546
95.805229928812.914663938612.25499117296.24997667538-1.343151034858.31243986140.1989355761440.1507239790980.388944897465-0.123478547373-0.327265215162-0.3262029722730.00584297226567-0.2187589405190.2925261341220.370735385050.0325452848230.003026912463560.4101451754990.01040652583450.449275020576-11.203665164759.341002220446.2869225158
103.34235477037-2.64846081093-0.8533759911887.443866107410.2519250277572.707500920350.1554686145980.0281775860618-0.718808624005-0.590084749409-0.1589989294151.18646352360.156958843336-0.697903023932-0.0003182031492850.3923444034950.020567131492-0.1101801163290.462300509104-0.1092048546620.478056028242-26.702941805154.535340765848.4306593681
110.6651190670040.9569190083691.084208439024.405836189693.374876539453.639243948980.146820762195-1.110936468430.6634344462181.22239263036-0.605440911058-1.10874422677-0.344803336974-0.244623428840.4457388757180.512829088296-0.210183270186-0.06138286594030.70271216983-0.04109645176160.6312859941914.7961163324481.774984736857.4459587919
127.81209096107-2.693540446083.2701899782.22202306973-1.648260171485.25973769811-0.0752164442588-0.1432217317740.9635714182920.18801645627-0.279926277121-1.29693285359-0.374121234240.3799132026410.5673167910280.493093344623-0.0766315234652-0.007403093508210.5258739990270.0782439957240.6141920886049.9672261451780.484361626450.4484898012
137.50221745810.01197686034822.245871648893.6859718131-0.7660997208163.157887767180.135054345251-0.2461396918820.341114339868-0.0686151613214-0.40425689476-0.312468075320.01942518882870.09742366379220.3183640348310.336133293387-0.02664676282350.01231153132580.4012007481420.03104013319310.3237663999672.4381152747377.636419291948.509183543
143.72146449252-3.576671708191.962252433948.6663526755-0.561313519092.66874218451-0.0286856131973-0.365589714687-0.04246557160050.134318382186-0.2434462515610.199533328136-0.153399051286-0.1948096994150.1389017427550.401392112989-0.01833408703420.02416591638010.4274184148010.07088625179590.30478296758-6.6247573385570.763651309349.5205467228
152.69155132997-3.796218804183.150313996986.89503538768-4.038127031163.488361352360.02111651245960.310392744707-0.05242951075770.457479969277-0.130349489360.0605064591105-0.1512460342260.08611838815030.04391910985360.3854641681370.04580626319070.05251860296760.378240488752-0.004965696468960.4319772838117.6491293011351.306212409452.9552186306
162.07692343949-3.646474529842.70435186897.57513565383-4.186524441777.248401277820.599201874911.03658218818-0.398093104854-1.10390164621-0.515459313118-0.2212052857250.5008942318120.748978104812-0.0102906573470.5019257197210.1279918721080.06803901574780.526099069681-0.0358999838840.55217620065112.741661324343.727675011344.9331875293
175.18076872721-5.14758525621.57852173735.12406254301-1.864413312696.05854132890.4308162633990.950997645721-1.29631947575-0.873292026878-0.1446422322550.5440735581530.4926695254450.243327174327-0.3232971751520.548779172510.0272424434271-0.04525912340590.452848203316-0.04860879795850.5463832533210.02734269476451.405266783342.1710980468
186.13862688944-2.63241636003-0.8822836354288.03072071558-2.199306211512.458661493120.07562064138660.4186239678330.112202692719-0.495090063871-0.505584173525-1.091102376960.4676214250250.785566055370.2791742351350.3956561120610.04926360762130.1303854243780.4405409817440.04743679632090.4403038053337.9680039711756.620400614342.3869819165
194.9196827554-4.757166237054.550861635334.80168532659-4.585593769737.662158814860.6058714764440.700712156897-0.238036004121-0.553896337808-0.5236553974410.03727099884220.2649001505240.0990322835354-0.1537671110560.458372693832-0.0100279673050.007084816920650.3995911080.07268093789360.435091455527-0.50486742819163.037400898943.0834576263
206.36175339994-3.942647816911.802317019847.26565536167-1.914949352658.09843878883-0.01217639306720.4098056313711.397044950240.0571409950886-0.185123476986-1.06610798467-0.7763353765590.6151025488890.2880214430640.317384469618-0.1460004638340.02554755708510.4998037700670.1188552290940.580207499662-10.54814356599.012264087134.0462842571
216.467784199090.938738161654-4.355334694695.31048052715-1.934068344297.623066099150.458510509696-0.2141921367832.384367836270.6055596541260.186327592345-0.863145919416-1.40929343805-0.160968120712-0.6372882080560.738457045705-0.0209804671529-0.1503008557810.511747618777-0.03829865187640.943399380332-17.2781416452106.92041478441.9050881913
224.33259138867-0.867002564204-0.8330679229920.918845239986-0.01103243322833.61918629861-0.0617538134935-0.08651230857780.2712508476650.2133638137650.0714684779926-0.203740331496-0.2044813760930.220960300911-0.01118614388880.4587300602910.00975797880592-0.08420579951280.3159010458830.01606349166360.456155835443-19.484294766894.707725230840.9109422306
234.24414050692-3.0345307442-5.233749712423.081708699413.840842346287.24237581522-0.2999990828230.3142723539240.3874277717910.08939114991930.291613650905-0.191783741843-0.2728552172940.201641820057-0.1367034463420.474518595739-0.0389366263012-0.08147878194410.4490083463290.04731849781610.449435181791-17.119758573197.784459467132.3089144622
242.26730973480.3151962197061.930354640850.266202838002-0.6299042520425.23371779006-0.265242380996-0.872825376693-0.1474682908642.671983226410.230518957551-0.0833458720125-0.007978588147070.05336414039150.09347505630860.8470505696960.112642379241-0.009486224429450.6635666222710.07875536906160.314903264084-31.289615140583.957113037369.9242171731
252.0950858874-2.443698799741.484802022462.83540059725-1.862135329642.65136064435-0.382780696692-1.08172951938-0.4022062155390.9798656992450.3552056520921.0988950594-0.0278124543473-0.51418733972-0.1765230508850.7346620837410.1738686625390.2099241973220.6668240587160.1000876609660.552511261376-39.720436771982.326121937768.0041736612
262.10550895579-2.528214250980.6566817284087.54035519025-1.69246032692.78790407708-0.236341231209-0.349233633669-0.4597857823440.6553205870250.3405326730680.7463963505260.19528207894-0.00600938612845-0.1158212486150.5050993490490.0899654212040.1016417467890.4861143290880.05318400416360.487038693313-36.944725717476.27830463162.5965729603
273.19933805961-0.6264677429270.5603433152536.82781906311-0.0316550123893.950342242870.122684370771-0.136728686559-0.162889884242-0.110613343459-0.2980442432210.721966892616-0.1256187984240.05095590192260.1994550990210.4057558524020.05500685783960.05592320794430.4216971072180.02301631267560.411560114999-36.899979616684.193916036758.9735882678
285.26558005337-5.68121759285.690427249436.15231741409-6.096920286076.18087833788-0.221090987665-0.3954069190530.7357472232530.839204313846-0.125496911375-0.487756540534-0.8138737576070.3296138272370.4604836548840.593473436654-0.014417581405-0.04338208130580.486932874033-0.01024412260540.354726114474-29.997730597891.447992366961.04748394
295.22760308527-0.742807507519-2.447687611847.400374963363.320451688855.601863850060.0498702368353-0.28426001635-0.2843024759360.0118261869622-0.20803565211-0.2769862959390.03638816029650.4020508816550.12635857980.4171596948790.0220183754015-0.07445431656650.3857017319880.06125345396680.350449704541-29.069404257287.427703904252.6723492844
300.729894309623-1.41701665828-0.1989762989345.985175693562.486652522461.155228988390.02712781555710.03364668868720.1220154957550.370500397202-0.119288841004-0.1081091955360.108191670597-0.01889432578310.0991548293060.4092733252250.06177188454490.01255527144570.380769446648-0.0190861207080.495449339112-42.2171591086108.19900562655.4103200576
315.86758880005-0.2684307111081.686485440291.99524600572-1.63493496391.698429100720.02213541966030.4366653629050.490195605696-1.00138467916-0.09457405785421.06719982869-0.0866372138065-0.8630552244460.1810322236320.4109740821910.118646497553-0.07058954190830.457689831631-0.04155696370660.622248336392-51.4054790218112.15044175748.3874517639
327.14188390805-6.12405620017-2.883162104428.439355808562.598923817426.468431553280.4420773653440.57400166058-0.167389985168-0.238777417927-0.382645661820.369460286628-0.338022096226-0.3758080439390.004542050341420.4505962660320.0657088508834-0.02501811897330.375600022147-0.06518899540320.389341946558-43.532894702199.68483290444.86400263
335.05360206819-4.92319764858-4.210234012684.789639766024.026578664487.783788198770.1702966221710.394473660061-0.311176402480.100098842989-0.3315814586420.4246347474810.0980848444373-0.3787553092170.2678885971810.4735383929220.03407019811570.005733917527390.329503763033-0.01879562364620.427707586912-41.906556218294.768499412750.5377169221
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 18 )
2X-RAY DIFFRACTION2chain 'A' and (resid 19 through 27 )
3X-RAY DIFFRACTION3chain 'A' and (resid 28 through 40 )
4X-RAY DIFFRACTION4chain 'A' and (resid 41 through 53 )
5X-RAY DIFFRACTION5chain 'A' and (resid 54 through 74 )
6X-RAY DIFFRACTION6chain 'A' and (resid 75 through 84 )
7X-RAY DIFFRACTION7chain 'A' and (resid 85 through 92 )
8X-RAY DIFFRACTION8chain 'A' and (resid 93 through 106 )
9X-RAY DIFFRACTION9chain 'A' and (resid 107 through 115 )
10X-RAY DIFFRACTION10chain 'A' and (resid 116 through 129 )
11X-RAY DIFFRACTION11chain 'B' and (resid 714 through 726 )
12X-RAY DIFFRACTION12chain 'B' and (resid 727 through 738 )
13X-RAY DIFFRACTION13chain 'B' and (resid 739 through 781 )
14X-RAY DIFFRACTION14chain 'B' and (resid 782 through 804 )
15X-RAY DIFFRACTION15chain 'B' and (resid 805 through 825 )
16X-RAY DIFFRACTION16chain 'B' and (resid 826 through 833 )
17X-RAY DIFFRACTION17chain 'B' and (resid 834 through 845 )
18X-RAY DIFFRACTION18chain 'B' and (resid 846 through 857 )
19X-RAY DIFFRACTION19chain 'B' and (resid 858 through 866 )
20X-RAY DIFFRACTION20chain 'C' and (resid 2 through 18 )
21X-RAY DIFFRACTION21chain 'C' and (resid 19 through 33 )
22X-RAY DIFFRACTION22chain 'C' and (resid 34 through 115 )
23X-RAY DIFFRACTION23chain 'C' and (resid 116 through 129 )
24X-RAY DIFFRACTION24chain 'D' and (resid 714 through 726 )
25X-RAY DIFFRACTION25chain 'D' and (resid 727 through 738 )
26X-RAY DIFFRACTION26chain 'D' and (resid 739 through 755 )
27X-RAY DIFFRACTION27chain 'D' and (resid 756 through 773 )
28X-RAY DIFFRACTION28chain 'D' and (resid 774 through 781 )
29X-RAY DIFFRACTION29chain 'D' and (resid 782 through 804 )
30X-RAY DIFFRACTION30chain 'D' and (resid 805 through 825 )
31X-RAY DIFFRACTION31chain 'D' and (resid 826 through 833 )
32X-RAY DIFFRACTION32chain 'D' and (resid 834 through 853 )
33X-RAY DIFFRACTION33chain 'D' and (resid 854 through 866 )

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