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- PDB-7nqa: Crystal structure of Nucleoporin-98 nanobody MS98-6 complex solve... -

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Basic information

Entry
Database: PDB / ID: 7nqa
TitleCrystal structure of Nucleoporin-98 nanobody MS98-6 complex solved at 2.2A resolution
Components
  • Anti-Nup98 Nanobody MS98-6
  • Nuclear pore complex protein Nup98-Nup96
KeywordsNUCLEAR PROTEIN / Nup98 / Nanobody / complex
Function / homology
Function and homology information


structural constituent of nuclear pore / mRNA transport / nuclear pore / serine-type peptidase activity / protein transport / nuclear membrane / proteolysis / nucleoplasm
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 speciesXenopus tropicalis (tropical clawed frog)
Vicugna pacos (alpaca)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 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
DepositionMar 1, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jul 21, 2021Provider: repository / Type: Initial release
Revision 1.1Sep 28, 2022Group: Database references / Structure summary / Category: database_2 / struct
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct.title
Revision 1.2Aug 2, 2023Group: Database references / Source and taxonomy / Structure summary
Category: entity / entity_src_gen ...entity / entity_src_gen / struct_ref / struct_ref_seq / struct_ref_seq_dif
Item: _entity.pdbx_description / _entity_src_gen.gene_src_common_name ..._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 1.3Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.4Apr 3, 2024Group: Database references / Structure summary
Category: entity / entity_name_com ...entity / entity_name_com / pdbx_database_related / struct_ref / struct_ref_seq / struct_ref_seq_dif
Item: _entity.pdbx_description / _pdbx_database_related.content_type ..._entity.pdbx_description / _pdbx_database_related.content_type / _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 1.5May 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 1.6Oct 9, 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: Nuclear pore complex protein Nup98-Nup96
D: Anti-Nup98 Nanobody MS98-6
B: Nuclear pore complex protein Nup98-Nup96
C: Anti-Nup98 Nanobody MS98-6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)61,6848
Polymers61,4934
Non-polymers1914
Water5,837324
1
A: Nuclear pore complex protein Nup98-Nup96
D: Anti-Nup98 Nanobody MS98-6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)30,8924
Polymers30,7462
Non-polymers1452
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2280 Å2
ΔGint-16 kcal/mol
Surface area13500 Å2
MethodPISA
2
B: Nuclear pore complex protein Nup98-Nup96
C: Anti-Nup98 Nanobody MS98-6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)30,7924
Polymers30,7462
Non-polymers462
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2200 Å2
ΔGint-31 kcal/mol
Surface area13410 Å2
MethodPISA
Unit cell
Length a, b, c (Å)83.760, 96.630, 100.870
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

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Components

#1: Protein Nuclear pore complex protein Nup98-Nup96


Mass: 17275.402 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Xenopus tropicalis (tropical clawed frog)
Gene: nup98 / Production host: Escherichia coli (E. coli) / Strain (production host): NEB Express / References: UniProt: A0A6I8SCP2
#2: Antibody Anti-Nup98 Nanobody MS98-6


Mass: 13471.062 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Vicugna pacos (alpaca) / Production host: Escherichia coli (E. coli) / Strain (production host): NEB Express
#3: 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 / Feature type: SUBJECT OF INVESTIGATION / Comment: pH buffer*YM
#4: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Na / Feature type: SUBJECT OF INVESTIGATION
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 324 / 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 Matthews: 3.32 Å3/Da / Density % sol: 58 % / Description: Rods
Crystal growTemperature: 291 K / Method: vapor diffusion, hanging drop / pH: 9
Details: 2.5% (w/v) PEG 6000, 25% (v/v) PEG MME 500, 0.1 M Tris-HCl pH 9.0

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Nov 12, 2018 / Details: Dynamically bendable mirrow
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2→48.3 Å / Num. obs: 49105 / % possible obs: 87.7 % / Redundancy: 13.2 % / Biso Wilson estimate: 39.94 Å2 / CC1/2: 0.99 / Net I/σ(I): 17.9
Reflection shellResolution: 2→2.05 Å / Redundancy: 4.98 % / Num. unique obs: 1808 / CC1/2: 0.32 / % possible all: 44

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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: 2.2→29.69 Å / SU ML: 0.2527 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 25.2197
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
Details: We processed data at 2A resolution but used 30-2.2A shell for refinement
RfactorNum. reflection% reflection
Rfree0.226 2066 5 %
Rwork0.1764 39262 -
obs0.1789 41328 97.93 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 56.2 Å2
Refinement stepCycle: LAST / Resolution: 2.2→29.69 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4322 0 11 324 4657
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00674413
X-RAY DIFFRACTIONf_angle_d0.8065975
X-RAY DIFFRACTIONf_chiral_restr0.0537652
X-RAY DIFFRACTIONf_plane_restr0.0046780
X-RAY DIFFRACTIONf_dihedral_angle_d3.2712637
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.2-2.250.31431240.29182348X-RAY DIFFRACTION89.24
2.25-2.310.27541340.25862538X-RAY DIFFRACTION97.48
2.31-2.370.29941370.24982602X-RAY DIFFRACTION97.82
2.37-2.440.27321320.24222550X-RAY DIFFRACTION97.74
2.44-2.520.33171370.23412609X-RAY DIFFRACTION97.76
2.52-2.610.32141380.21642611X-RAY DIFFRACTION98.39
2.61-2.710.25841360.21912588X-RAY DIFFRACTION98.13
2.71-2.840.29221380.20152615X-RAY DIFFRACTION98.64
2.84-2.990.23621380.2092628X-RAY DIFFRACTION98.47
2.99-3.170.26031380.20322618X-RAY DIFFRACTION98.82
3.17-3.420.231400.19052652X-RAY DIFFRACTION99.11
3.42-3.760.18981400.16542668X-RAY DIFFRACTION98.98
3.76-4.30.20021410.14342676X-RAY DIFFRACTION99.23
4.3-5.420.18521430.12732722X-RAY DIFFRACTION99.44
5.42-29.690.19071500.14472837X-RAY DIFFRACTION99.53
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)
14.510166832252.645246283890.7841446186313.256867053692.766064254014.25168751801-0.07026846282550.695050301946-0.695758688863-0.3827675686180.259637711531-1.140118149980.04244236550312.13724291885-0.2581814199720.3685077016150.004300519487370.1075080073060.9228434278990.08072716336490.6350115800342.295504183365.93364359594-10.9262525105
23.521421893930.4229583768430.5657021777064.538717417550.02430705236140.3289041548110.02687126503030.1634742846630.3130391206610.244380568032-0.0527117896897-0.87444072088-0.3694310255641.448563941620.01207919196120.431699754041-0.2458514415160.006341116585580.9185199599250.05045771737680.5093966393721.7792339758115.3606182588-8.19697928641
33.521001398551.059735973173.660556681654.845469850810.4172876677234.311177810280.05540621396780.16095470028-0.258549489780.0686907443015-0.170765652134-0.189600049241-0.07149580395790.7651715403070.1053134930660.281216168591-0.1029940454720.0784067482460.5632128848420.0181234941710.344424427544-6.8806237275510.8609659941-10.0832994413
46.815102481210.9196703091624.94669723897.035262676445.354157706468.00099588430.480714260443-0.277541271571-0.7987762688860.827868460693-0.05620878406770.09360094964310.7990923007590.361021197607-0.4279704787740.23918640699-0.01152628858760.03572789042420.3749510588810.007145617645040.408843247131-15.08674309273.94187487645-9.7477661755
53.565942494660.4626683813732.886540060763.093626203111.323152924783.03062774294-0.0657140870057-0.05364414146050.03393973577120.08651978725370.0482250351824-0.0905988395732-0.4390360458380.4395591094870.1041755827010.26930677186-0.1110860038880.07178998586850.404183170277-0.04048327199250.314033607825-14.724710635513.0054908005-11.1762672088
62.584973250473.434804366072.414827249389.413271869524.233288103212.80648890987-0.01914401191110.983066126155-0.149623430426-0.8768239785090.0133102257832-0.48414159446-0.1629387738160.434298475574-0.1278711046370.5014092829260.0107062300014-0.03349563280760.455783875932-0.08415571168070.39787265352-24.7880536625.5754082496-34.0612014358
73.8471629195-5.53236396927-1.276438295357.968573500621.806120243371.461023297750.467538139150.9416967505510.221048534636-2.15420791422-0.1109074459751.05215873696-1.74679932337-0.690327338529-0.411152553561.063694206330.0544822451677-0.1979940235950.5011670390720.08520094583590.595942721434-29.137886412316.2533603466-33.1914699425
87.09016862676-1.655931293775.248010074746.52752766951-4.268107070475.48643868717-0.224494193716-0.225351697320.3063550262830.235862102119-0.06391396035990.537490387984-0.956201675143-0.9248349123110.1806088455320.3604747947940.0352444269437-0.04373630118190.292754805889-0.06834175210230.31844518215-28.418963150314.8841938288-18.865653822
94.03776852019-1.325741075561.109006870386.29123592063.487363838382.838086252470.2657611795420.4802981108310.829440904513-1.188816635590.103042025556-0.0535986229544-1.457128823240.425039707493-0.2388983445910.594831143962-0.1087788607460.07118840530050.2946296313710.01290637916770.455437634651-20.991397534819.9351361534-22.1028099355
106.00753047067-0.2483337810313.894368673244.119676951464.313784734318.396714117110.110463670302-0.458139119960.3654041945-0.0703775366393-0.1113237485950.122844925871-1.077263851930.3418936452290.05281883660650.274710584985-0.1192943988990.07629232402660.328609648758-0.04891986654580.317652042961-18.820597001115.8501668211-12.1055017526
114.149677420994.366311902024.276622904696.747363614712.74992810685.84486848410.5903776800940.138291238993-1.405362684960.281814713102-0.0579160467784-0.3137497067031.03088949244-0.117542847027-0.734748629260.632505685527-0.0748048537257-0.06096631801160.562826984072-0.04097721229150.49356434391-33.5388618167-8.85522776888-23.084006386
128.267989267550.6963501770686.930282844444.651615471570.3789282345817.055439148360.3305023163580.216698098805-0.767128493831-0.5036566397330.03117587504521.233563384330.568962075332-0.893930572162-0.2200414947010.73532131075-0.295581662824-0.2332982320041.32080529373-0.1617623315920.900841344352-55.271962641-9.30651802189-35.2128835013
136.999206963682.35639238354.396003688634.483540481561.571740054544.23045252350.276038993406-0.23525786725-0.3983165111680.0210105853888-0.1610836570870.3205225972310.580649995601-0.724343649043-0.08936352037120.278356619373-0.0680540649253-0.005690006759540.466849276987-0.103060186760.339243777931-37.027105075-2.25356658896-21.3167901932
142.29563669061.342440526410.08896060536697.056261142786.392058443327.92538335148-0.1248510428210.616679268519-0.0316965750039-0.4310232832960.574283847503-0.1182312415830.3872319705150.774431540544-0.5159068625050.483424645275-0.100525585717-0.07602835744670.678790812037-0.168805868760.460596405363-39.4659363403-2.72703952025-38.6196010296
156.807053030791.071436147583.490296468034.141536580260.8147839617965.4854393515-0.2780903341190.5159590790320.405690090705-0.7875873270590.09232820937730.577060576287-0.605001082416-0.7451088825350.3915069642220.4153530394260.0876660795301-0.1213378397240.620045565085-0.1194053706430.43824096261-40.86127725237.85947145559-30.1685038216
165.209430468771.450529297663.81140953632.355536357070.7981283855013.572489572320.004534164872830.2443899860010.16817452315-0.631888152930.0452103806210.956714287483-0.246141980381-1.159899388610.1924323556830.3956382655950.0393901943255-0.211008886091.00615790265-0.1830371634950.629471247689-48.13984401534.33050186502-31.3256445968
175.332675794021.67208824982.517172466863.980744391380.3887434759541.233918507690.140029223304-0.589307787256-0.6802684081930.0176439857592-0.2332181950220.5086122602030.240168239089-1.42386338919-0.2962417878280.329818559595-0.134798393706-0.00417584032890.834167377099-0.1917258798830.571699971221-44.3891603687-1.43688799209-22.0820662729
187.521398978171.274379981433.269316756763.34233967186-0.3805289248181.876606967720.1610844633130.165416440492-0.312346513381-0.604905519193-0.2129047696380.6335403854460.330977889065-1.17555838220.0224936388710.508587093254-0.0718395197593-0.1100339741560.741354808202-0.1838960456140.477185728994-43.6604443327-2.8143000366-34.2384955099
198.59506809997-0.2789377190965.590846058327.19343331666-0.8395554898613.692929852060.3402254543960.0647793209651-0.329917532094-0.296062081026-0.122547328969-0.04753016458210.2700197106150.2835131707650.0146909107620.238846738406-0.03992393700810.03785903409710.273604276145-0.04171719835830.297681139159-22.74769528514.90195888968-17.3815959422
205.569267066995.282673240031.307094075728.796257683557.063485207429.37002614105-0.2751993190350.0104436414839-1.11080646757-0.5506317898310.245819274375-0.2171271006180.805580451241-0.258661446347-0.1850517725460.5851660115580.0490065311926-0.009516891903050.358720304947-0.09956319272620.512667837389-30.1872809027-3.66499146723-28.478926273
217.500647050830.3214824233690.8206561053938.215469072320.22059836185.860879350940.5085633238670.795445664026-1.1213917857-1.14388297325-0.08865722995220.9814599857320.590865515297-0.768197270795-0.4799364375880.854756936881-0.399734707317-0.2290254205720.982049912427-0.2959187134120.790735339403-49.8678547864-11.1670011972-38.7608061492
225.45987425326-2.11558277455-2.962669397746.663260369591.078534145011.749548507810.2313205972010.647400689238-0.00120973604229-0.167259478550.0538058597452-1.029577395460.5575327961810.887545082986-0.3727239107740.64619297840.630499870037-0.1358951598021.59265409127-0.1321520264060.608480809347-1.1570126292-14.4006985969-14.3826744706
233.830739903330.280135179741-1.637823561721.774640908821.170557754443.36559360584-0.1404699067880.250120558648-0.6346574100980.02058808428130.308551929302-0.9614973299850.3162191267370.627969147152-0.06519292282561.263593397130.8402410093980.04794329670611.33463896715-0.1614206467920.747427357108-3.55551290667-22.6872469375-12.127108771
241.21118725323-0.384688688034-0.9474260645692.89989664681.632150546852.93484443435-0.06171866830980.540202618131-0.559217849436-0.207053957631-0.0619191143515-0.2105920833470.9707436688460.7654356361190.1364808934041.351228410061.009767989680.1721655749030.883329971197-0.394464694920.34198714854-9.10256162228-21.2798388079-17.9283665035
253.83616738641-0.05646098096621.971622242984.39617806576-0.09268674669882.34720520721-0.2936560685740.2468379586370.110737201460.2232410276110.0491918936941-0.297935161780.7791948654711.592058648940.2660960022160.5166912163660.279082262750.01468143789690.629265897470.004186911326820.447509748877-14.3389343349-9.0312522864-10.701233717
266.457755009093.244920504744.835420307436.880223983437.055461113997.75502020089-0.3343184387141.315977678220.435792716938-1.866562616650.3006888371890.249319067258-0.6674264089920.216348032428-0.0007104857322410.9913175474620.223707825574-0.07613885658281.084998240920.02331620729810.448123896917-16.8120385732-7.2240689513-24.5546603074
272.55219489493-1.30777096565-1.766530144872.327082299962.619462005883.43768689856-0.1525129738970.289473004295-0.3453499407140.1113365620220.1613545468170.03319123840461.194037374690.720613716204-0.009747218705910.7655481010330.2150769978770.02733629466570.457390171178-0.06121496740510.395426781951-21.6924592694-12.5668503818-6.16067535958
283.555931508614.60045164811.548823103726.344559236970.2979503668238.522595142070.188368965468-0.736659478095-0.1572629724850.68349283287-0.4385593431980.8158521434381.89556034437-0.4465822505470.1684113811590.859639131988-0.03245732395220.1496727012940.4326956760970.003689541403950.638296553446-30.1460394948-10.524368618.82123237875
294.58453896589-0.37939780033-4.888914096617.449654421351.676692833796.32521692186-0.325215479040.519176432569-0.8267695608880.42840521589-0.6042002113150.7747097973360.162923414932-0.9002915787370.661115474790.630746458858-0.0680103812510.02207466093230.33343304054-0.1280087017580.5498476476-33.110464591-11.9843969935-5.73235733056
301.868294621480.2717104384860.941866041872.905434893261.748805221591.49672972138-0.247161709116-0.193760867384-0.4599656816330.9821335102540.2399972449050.3219637866750.4188479123750.0067487319772-0.02926342615851.16596097282-0.007429239936880.03686144187620.312070713815-0.02370555643510.621039559824-27.6383339702-19.1815457955-2.66239798464
315.15040651115-0.224211837782-0.8543155911774.03892629429-2.119665514916.020599958230.2139115554110.736413167056-0.432912224873-0.01144816717640.04866530086090.006775152531041.764226882890.0230020352211-0.1981129603520.8717164734960.178834763018-0.01641755820.400749515796-0.07181825234710.454475962137-24.5647084965-16.3473493655-12.6157508838
321.91269546615-2.92832907721-1.398252801597.682684851513.326237417675.344505348590.09346745396720.04725740834680.625749155122-0.006036222448480.243641102716-0.114183200309-0.537694893566-0.447669871675-0.3400839259670.2539661634550.0579245968057-0.01008851777650.3056962548840.02178920360520.238941461559-39.103862381716.27834591664.24185905546
330.492197169091-1.47540503223-1.395554169356.517338972033.231822665166.123942321330.1229609439190.223958801258-0.211891421191-0.290066200961-0.1088776791930.191090930923-0.251979612547-0.579815287599-0.01609199574810.1893673925030.0121056287673-0.0200144398540.308310855902-0.009899961995570.256174561483-35.14702466446.96529220031-3.42868916889
345.370359279771.199795291971.507319369453.936231654464.66423607196.239836323340.05700789853-0.698200163904-0.1290860276251.352135828080.28836179427-0.6387385134520.5380167082630.0721021259938-0.3641122756470.5664241624010.138021582287-0.01724094726510.383859781456-0.02419607898460.386715398819-36.86868801518.8767860222713.7930802907
359.41854964577-1.9317012943-1.702318993524.891122332462.767310779048.50441084906-0.33776508310.156331281999-0.8668308634940.747775854642-0.0895638883490.6609519852211.38904800074-1.225258039110.4600215586160.365848982829-0.1089207120470.1058643998310.3687286652180.007582126502580.385822894011-41.9625522854-0.8414684339075.80784342474
363.42653921121-1.71991136446-3.368222311024.997203573842.231164632933.45342166386-0.1013584476070.0571880840361-0.1553481488570.34545188322-0.07202478580930.8805948993450.283194012237-1.172674399170.09496936018390.248242922259-0.01794799846250.03535476036270.560538610284-0.03252056721210.473454119771-45.22036753126.714761831762.72471321551
372.61242289096-2.49509103662-0.7968383549874.331917987831.688057423882.99663720475-0.189733646422-0.233314598545-0.01801248255290.3783491196880.1734253794420.2157523366350.0481740052527-0.442551375430.03105862708970.2152797503460.02732275806140.01785132191090.2804087637050.003443953386580.296702467412-35.96459203825.939423352174.4342973372
387.29934261007-4.42743034618-5.700634083573.873984200675.810730410869.18532972764-0.178478815907-0.4482087977860.3736401441360.3229346800170.3183477211990.0220552871038-0.570049092128-0.12364542148-0.3227041778840.407582948720.0910917273078-0.01822940461160.320261305450.03700265281150.356953338298-34.763278036312.30316160368.05350114033
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 715 through 726 )
2X-RAY DIFFRACTION2chain 'A' and (resid 727 through 755 )
3X-RAY DIFFRACTION3chain 'A' and (resid 756 through 781 )
4X-RAY DIFFRACTION4chain 'A' and (resid 782 through 793 )
5X-RAY DIFFRACTION5chain 'A' and (resid 794 through 814 )
6X-RAY DIFFRACTION6chain 'A' and (resid 815 through 825 )
7X-RAY DIFFRACTION7chain 'A' and (resid 826 through 833 )
8X-RAY DIFFRACTION8chain 'A' and (resid 834 through 845 )
9X-RAY DIFFRACTION9chain 'A' and (resid 846 through 857 )
10X-RAY DIFFRACTION10chain 'A' and (resid 858 through 866 )
11X-RAY DIFFRACTION11chain 'D' and (resid 1 through 8 )
12X-RAY DIFFRACTION12chain 'D' and (resid 9 through 18 )
13X-RAY DIFFRACTION13chain 'D' and (resid 19 through 34 )
14X-RAY DIFFRACTION14chain 'D' and (resid 35 through 46 )
15X-RAY DIFFRACTION15chain 'D' and (resid 47 through 60 )
16X-RAY DIFFRACTION16chain 'D' and (resid 61 through 73 )
17X-RAY DIFFRACTION17chain 'D' and (resid 74 through 83 )
18X-RAY DIFFRACTION18chain 'D' and (resid 84 through 101 )
19X-RAY DIFFRACTION19chain 'D' and (resid 102 through 109 )
20X-RAY DIFFRACTION20chain 'D' and (resid 110 through 117 )
21X-RAY DIFFRACTION21chain 'D' and (resid 118 through 124 )
22X-RAY DIFFRACTION22chain 'B' and (resid 715 through 726 )
23X-RAY DIFFRACTION23chain 'B' and (resid 727 through 738 )
24X-RAY DIFFRACTION24chain 'B' and (resid 739 through 773 )
25X-RAY DIFFRACTION25chain 'B' and (resid 774 through 787 )
26X-RAY DIFFRACTION26chain 'B' and (resid 788 through 797 )
27X-RAY DIFFRACTION27chain 'B' and (resid 798 through 819 )
28X-RAY DIFFRACTION28chain 'B' and (resid 820 through 833 )
29X-RAY DIFFRACTION29chain 'B' and (resid 834 through 845 )
30X-RAY DIFFRACTION30chain 'B' and (resid 846 through 857 )
31X-RAY DIFFRACTION31chain 'B' and (resid 858 through 866 )
32X-RAY DIFFRACTION32chain 'C' and (resid 1 through 18 )
33X-RAY DIFFRACTION33chain 'C' and (resid 19 through 34 )
34X-RAY DIFFRACTION34chain 'C' and (resid 35 through 46 )
35X-RAY DIFFRACTION35chain 'C' and (resid 47 through 60 )
36X-RAY DIFFRACTION36chain 'C' and (resid 61 through 83 )
37X-RAY DIFFRACTION37chain 'C' and (resid 84 through 109 )
38X-RAY DIFFRACTION38chain 'C' and (resid 110 through 124 )

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