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- PDB-4mj0: BK Polyomavirus VP1 pentamer in complex with GD3 oligosaccharide -

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Basic information

Entry
Database: PDB / ID: 4mj0
TitleBK Polyomavirus VP1 pentamer in complex with GD3 oligosaccharide
ComponentsVP1 capsid protein
KeywordsVIRAL PROTEIN / antiparallel beta sandwich / jelly-roll topology / polyomavirus / receptor-switching / glycan receptor / virus major capsid protein / attachment to host-cell surface receptors
Function / homology
Function and homology information


caveolin-mediated endocytosis of virus by host cell / T=7 icosahedral viral capsid / host cell nucleus / virion attachment to host cell / structural molecule activity
Similarity search - Function
Capsid protein VP1,Polyomavirus / Polyomavirus Vp1; Chain A / Capsid protein VP1,Polyomavirus / Polyomavirus capsid protein VP1 superfamily / Polyomavirus coat protein / Double-stranded DNA virus, group I, capsid / Sandwich / Mainly Beta
Similarity search - Domain/homology
Major capsid protein VP1 / Capsid protein VP1
Similarity search - Component
Biological speciesBK polyomavirus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.7 Å
AuthorsNeu, U. / Stroh, L.J. / Stehle, T.
CitationJournal: Plos Pathog. / Year: 2013
Title: A Structure-Guided Mutation in the Major Capsid Protein Retargets BK Polyomavirus.
Authors: Neu, U. / Allen, S.A. / Blaum, B.S. / Liu, Y. / Frank, M. / Palma, A.S. / Stroh, L.J. / Feizi, T. / Peters, T. / Atwood, W.J. / Stehle, T.
History
DepositionSep 3, 2013Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 6, 2013Provider: repository / Type: Initial release
Revision 1.1Nov 15, 2017Group: Refinement description / Category: software / Item: _software.name
Revision 2.0Jul 29, 2020Group: Atomic model / Data collection ...Atomic model / Data collection / Database references / Derived calculations / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / struct_asym / struct_conn / struct_ref_seq_dif / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.occupancy / _atom_site.type_symbol / _atom_site_anisotrop.pdbx_label_asym_id / _chem_comp.name / _chem_comp.type / _entity.formula_weight / _entity.pdbx_description / _entity.pdbx_number_of_molecules / _entity.type / _pdbx_struct_assembly_gen.asym_id_list / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_ref_seq_dif.details
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Feb 28, 2024Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / struct_ncs_dom_lim
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id
Revision 2.2Apr 3, 2024Group: Refinement description / Category: pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: VP1 capsid protein
B: VP1 capsid protein
C: VP1 capsid protein
D: VP1 capsid protein
E: VP1 capsid protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)155,01621
Polymers151,3055
Non-polymers3,71016
Water23,0591280
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area29120 Å2
ΔGint-208 kcal/mol
Surface area46420 Å2
MethodPISA
Unit cell
Length a, b, c (Å)144.680, 152.640, 63.190
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number18
Space group name H-MP21212
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
31C
41D
51E

NCS domain segments:

Ens-ID: 1 / Refine code: 5

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ASNASNASPASPAA52 - 5927 - 34
21ASNASNASPASPBB52 - 5927 - 34
31ASNASNASPASPCC52 - 5927 - 34
41ASNASNASPASPDD52 - 5927 - 34
51ASNASNASPASPEE52 - 5927 - 34
12ASNASNLEULEUAA61 - 6936 - 44
22ASNASNLEULEUBB61 - 6936 - 44
32ASNASNLEULEUCC61 - 6936 - 44
42ASNASNLEULEUDD61 - 6936 - 44
52ASNASNLEULEUEE61 - 6936 - 44
13SERSERGLUGLUAA70 - 7245 - 47
23SERSERGLUGLUBB70 - 7245 - 47
33SERSERGLUGLUCC70 - 7245 - 47
43SERSERGLUGLUDD70 - 7245 - 47
53SERSERGLUGLUEE70 - 7245 - 47
14METMETALAALAAA84 - 9159 - 66
24METMETALAALABB84 - 9159 - 66
34METMETALAALACC84 - 9159 - 66
44METMETALAALADD84 - 9159 - 66
54METMETALAALAEE84 - 9159 - 66
15THRTHRSERSERAA117 - 12492 - 99
25THRTHRSERSERBB117 - 12492 - 99
35THRTHRSERSERCC117 - 12492 - 99
45THRTHRSERSERDD117 - 12492 - 99
55THRTHRSERSEREE117 - 12492 - 99
16LEULEUGLNGLNAA126 - 133101 - 108
26LEULEUGLNGLNBB126 - 133101 - 108
36LEULEUGLNGLNCC126 - 133101 - 108
46LEULEUGLNGLNDD126 - 133101 - 108
56LEULEUGLNGLNEE126 - 133101 - 108
17VALVALHISHISAA135 - 136110 - 111
27VALVALHISHISBB135 - 136110 - 111
37VALVALHISHISCC135 - 136110 - 111
47VALVALHISHISDD135 - 136110 - 111
57VALVALHISHISEE135 - 136110 - 111
18HISHISLEULEUAA138 - 159113 - 134
28HISHISLEULEUBB138 - 159113 - 134
38HISHISLEULEUCC138 - 159113 - 134
48HISHISLEULEUDD138 - 159113 - 134
58HISHISLEULEUEE138 - 159113 - 134
19METMETLEULEUAA161 - 165136 - 140
29METMETLEULEUBB161 - 165136 - 140
39METMETLEULEUCC161 - 165136 - 140
49METMETLEULEUDD161 - 165136 - 140
59METMETLEULEUEE161 - 165136 - 140
110ASNASNTHRTHRAA167 - 170142 - 145
210ASNASNTHRTHRBB167 - 170142 - 145
310ASNASNTHRTHRCC167 - 170142 - 145
410ASNASNTHRTHRDD167 - 170142 - 145
510ASNASNTHRTHREE167 - 170142 - 145
111GLYGLYPROPROAA175 - 179150 - 154
211GLYGLYPROPROBB175 - 179150 - 154
311GLYGLYPROPROCC175 - 179150 - 154
411GLYGLYPROPRODD175 - 179150 - 154
511GLYGLYPROPROEE175 - 179150 - 154
112PROPROALAALAAA182 - 184157 - 159
212PROPROALAALABB182 - 184157 - 159
312PROPROALAALACC182 - 184157 - 159
412PROPROALAALADD182 - 184157 - 159
512PROPROALAALAEE182 - 184157 - 159
113SERSERGLNGLNAA186 - 187161 - 162
213SERSERGLNGLNBB186 - 187161 - 162
313SERSERGLNGLNCC186 - 187161 - 162
413SERSERGLNGLNDD186 - 187161 - 162
513SERSERGLNGLNEE186 - 187161 - 162
114ASNASNALAALAAA190 - 195165 - 170
214ASNASNALAALABB190 - 195165 - 170
314ASNASNALAALACC190 - 195165 - 170
414ASNASNALAALADD190 - 195165 - 170
514ASNASNALAALAEE190 - 195165 - 170
115LEULEUSERSERAA197 - 213172 - 188
215LEULEUSERSERBB197 - 213172 - 188
315LEULEUSERSERCC197 - 213172 - 188
415LEULEUSERSERDD197 - 213172 - 188
515LEULEUSERSEREE197 - 213172 - 188
116GLUGLUGLYGLYAA216 - 227191 - 202
216GLUGLUGLYGLYBB216 - 227191 - 202
316GLUGLUGLYGLYCC216 - 227191 - 202
416GLUGLUGLYGLYDD216 - 227191 - 202
516GLUGLUGLYGLYEE216 - 227191 - 202
117PROPROASNASNAA231 - 238206 - 213
217PROPROASNASNBB231 - 238206 - 213
317PROPROASNASNCC231 - 238206 - 213
417PROPROASNASNDD231 - 238206 - 213
517PROPROASNASNEE231 - 238206 - 213
118LEULEUASPASPAA244 - 246219 - 221
218LEULEUASPASPBB244 - 246219 - 221
318LEULEUASPASPCC244 - 246219 - 221
418LEULEUASPASPDD244 - 246219 - 221
518LEULEUASPASPEE244 - 246219 - 221
119GLYGLYLEULEUAA251 - 253226 - 228
219GLYGLYLEULEUBB251 - 253226 - 228
319GLYGLYLEULEUCC251 - 253226 - 228
419GLYGLYLEULEUDD251 - 253226 - 228
519GLYGLYLEULEUEE251 - 253226 - 228
120SERSERSERSERAA258 - 273233 - 248
220SERSERSERSERBB258 - 273233 - 248
320SERSERSERSERCC258 - 273233 - 248
420SERSERSERSERDD258 - 273233 - 248
520SERSERSERSEREE258 - 273233 - 248
121GLNGLNLYSLYSAA277 - 287252 - 262
221GLNGLNLYSLYSBB277 - 287252 - 262
321GLNGLNLYSLYSCC277 - 287252 - 262
421GLNGLNLYSLYSDD277 - 287252 - 262
521GLNGLNLYSLYSEE277 - 287252 - 262
122PHEPHEASPASPAA75 - 7850 - 53
222PHEPHEASPASPBB75 - 7850 - 53
322PHEPHEASPASPCC75 - 7850 - 53
422PHEPHEASPASPDD75 - 7850 - 53
522PHEPHEASPASPEE75 - 7850 - 53

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Components

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Protein , 1 types, 5 molecules ABCDE

#1: Protein
VP1 capsid protein


Mass: 30261.039 Da / Num. of mol.: 5
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) BK polyomavirus / Plasmid: pET15b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q85235, UniProt: P03088*PLUS

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Sugars , 3 types, 4 molecules

#2: Polysaccharide N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1- ...N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose


Type: oligosaccharide / Mass: 924.806 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DNeup5Aca2-8DNeup5Aca2-3DGalpb1-4DGlcpb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-3/a4-b1_b3-c2_c8-d2WURCSPDB2Glycan 1.1.0
[][b-D-Glcp]{[(4+1)][b-D-Galp]{[(3+2)][a-D-Neup5Ac]{[(8+2)][a-D-Neup5Ac]{}}}}LINUCSPDB-CARE
#3: Polysaccharide N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid


Type: oligosaccharide / Mass: 600.525 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DNeup5Aca2-8DNeup5Aca2-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[Aad21122h-2a_2-6_5*NCC/3=O]/1-1/a8-b2WURCSPDB2Glycan 1.1.0
[][a-D-Neup5Ac]{[(8+2)][a-D-Neup5Ac]{}}LINUCSPDB-CARE
#4: Polysaccharide N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose


Type: oligosaccharide / Mass: 762.666 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DNeup5Aca2-8DNeup5Aca2-3DGalpb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-2/a3-b2_b8-c2WURCSPDB2Glycan 1.1.0
[][b-D-Galp]{[(3+2)][a-D-Neup5Ac]{[(8+2)][a-D-Neup5Ac]{}}}LINUCSPDB-CARE

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Non-polymers , 3 types, 1292 molecules

#5: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C3H8O3
#6: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Cl
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 1280 / Source method: isolated from a natural source / Formula: H2O

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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: 2.31 Å3/Da / Density % sol: 46.65 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.5
Details: 16-18 % PEG 3,350, 0.1 M HEPES pH 7.5, 0.25 M LiCl , VAPOR DIFFUSION, SITTING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
DetectorType: PSI PILATUS 6M / Detector: PIXEL / Date: Feb 23, 2009
RadiationMonochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 1.7→50 Å / Num. all: 154229 / Num. obs: 154169 / % possible obs: 100 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 7.2 % / Biso Wilson estimate: 26.4 Å2 / Net I/σ(I): 19.44
Reflection shellResolution: 1.7→1.74 Å / Redundancy: 5.7 % / Mean I/σ(I) obs: 2.66 / Num. unique all: 11266 / % possible all: 99.8

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Processing

Software
NameVersionClassification
RemDAqdata collection
PHASERphasing
REFMAC5.5.0102refinement
XDSdata reduction
XSCALEdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: native BK Polyomavirus VP1

Resolution: 1.7→48 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.959 / SU B: 3.554 / SU ML: 0.053 / Isotropic thermal model: isotropic / Cross valid method: THROUGHOUT / ESU R: 0.087 / ESU R Free: 0.085 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.1769 5395 3.5 %RANDOM
Rwork0.14969 ---
all0.15064 154166 --
obs0.15064 148771 99.96 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK
Displacement parametersBiso mean: 17.115 Å2
Refinement stepCycle: LAST / Resolution: 1.7→48 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10008 0 244 1280 11532
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.010.02210686
X-RAY DIFFRACTIONr_bond_other_d0.0010.027107
X-RAY DIFFRACTIONr_angle_refined_deg1.3111.98314620
X-RAY DIFFRACTIONr_angle_other_deg0.829317460
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.28651373
X-RAY DIFFRACTIONr_dihedral_angle_2_deg37.44624.745470
X-RAY DIFFRACTIONr_dihedral_angle_3_deg11.807151685
X-RAY DIFFRACTIONr_dihedral_angle_4_deg21.0831556
X-RAY DIFFRACTIONr_chiral_restr0.0790.21667
X-RAY DIFFRACTIONr_gen_planes_refined0.0050.02111900
X-RAY DIFFRACTIONr_gen_planes_other0.0010.022025
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it1.25446615
X-RAY DIFFRACTIONr_mcbond_other0.59142665
X-RAY DIFFRACTIONr_mcangle_it1.877510752
X-RAY DIFFRACTIONr_mcangle_other
X-RAY DIFFRACTIONr_scbond_it2.33664071
X-RAY DIFFRACTIONr_scbond_other
X-RAY DIFFRACTIONr_scangle_it3.38873830
X-RAY DIFFRACTIONr_scangle_other
X-RAY DIFFRACTIONr_long_range_B_refined
X-RAY DIFFRACTIONr_long_range_B_other
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Dom-ID: 1 / Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Auth asym-IDNumberTypeRms dev position (Å)Weight position
A963medium positional0.110.5
B963medium positional0.090.5
C963medium positional0.070.5
D963medium positional0.090.5
E963medium positional0.080.5
A1134loose positional0.195
B1134loose positional0.185
C1134loose positional0.155
D1134loose positional0.185
E1134loose positional0.235
A963medium thermal0.62
B963medium thermal0.592
C963medium thermal0.692
D963medium thermal0.822
E963medium thermal0.752
A1134loose thermal0.6310
B1134loose thermal0.5710
C1134loose thermal0.6410
D1134loose thermal0.7410
E1134loose thermal0.710
LS refinement shellResolution: 1.7→1.744 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.249 391 -
Rwork0.231 10860 -
obs-11251 99.8 %
Refinement TLS params.

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
11.0270.2258-0.11070.89770.06981.5070.0457-0.0080.14690.05540.02590.04-0.3325-0.0458-0.07170.09740.04110.02180.0482-0.00180.095127.973949.19622.1119
21.5021-0.74561.98081.3992-1.55064.4079-0.0017-0.10250.0284-0.03680.07110.06140.0344-0.1548-0.06940.0344-0.01870.04030.0246-0.02130.068336.570747.840617.0507
31.69160.555-0.52771.0392-0.25751.79520.02390.02990.05590.01030.02810.0938-0.0854-0.1197-0.0520.06020.01510.01570.01280.00180.041722.603440.708318.7996
40.9101-0.18340.36471.1331-1.32044.91850.01310.05670.0397-0.06460.02050.0256-0.0542-0.0536-0.03350.0418-0.00010.02610.0065-0.00260.045731.845946.955913.977
51.9236-0.3750.06211.4763-0.07610.51840.0386-0.09080.18650.02790.0154-0.2159-0.13220.2757-0.0540.077-0.0677-0.00820.1576-0.03940.125560.630644.379525.5845
61.12250.4106-0.40482.9614-2.16533.30910.0180.07550.07950.02440.0562-0.0898-0.049-0.0761-0.07420.00280.0084-0.0090.0686-0.05160.101161.954836.006918.4778
71.5088-0.4546-0.55211.21160.23681.79910.03080.00840.1165-0.00330.0252-0.0463-0.13240.0363-0.0560.037-0.0275-0.00520.0559-0.00670.067451.169847.045521.122
81.21850.2286-0.86721.7678-1.36474.69720.0160.16330.0831-0.14920.0422-0.0796-0.0183-0.0428-0.05810.024-0.01510.0070.0709-0.01590.079459.777941.85814.7287
91.47640.45050.53892.7163-0.41560.4380.05650.1685-0.2137-0.0681-0.0098-0.50310.15720.1967-0.04660.13420.1163-0.0550.1917-0.04780.254267.171811.195421.0887
102.98241.2626-2.85091.8839-1.26935.21930.1083-0.0745-0.04870.1244-0.0109-0.0993-0.1188-0.0664-0.09740.04520.0068-0.05530.02720.00210.082749.96757.252324.0416
111.26350.84710.52581.88630.58021.4306-0.0090.0188-0.0864-0.02250.0416-0.238-0.01230.1318-0.03270.03290.0139-0.00430.0648-0.00070.139665.753721.972319.1909
121.57720.302-1.01621.5929-0.16086.07020.00090.1909-0.0438-0.25680.0915-0.3445-0.11290.1735-0.09240.0586-0.00870.0240.0525-0.03590.166762.498713.063412.042
131.27230.317-2.0710.2541.164320.3140.00950.31630.0925-0.00680.00720.05490.3441-1.4005-0.01670.2444-0.0329-0.03590.18420.00710.142628.0853-0.9092-3.6463
141.0763-0.26-0.23430.76020.03770.87130.0057-0.0261-0.09260.02880.0197-0.08960.0923-0.006-0.02540.0644-0.0142-0.02020.0160.0040.075640.8099-0.17916.8907
153.70494.0606-1.131425.018-5.17628.07270.06530.0453-0.2418-0.456-0.2532-1.5419-0.15940.56440.18790.10480.01110.03710.1204-0.02680.114145.19690.7661-6.3489
160.5789-0.1226-0.08491.41590.82564.87340.03540.0827-0.0559-0.14240.0201-0.0581-0.14320.026-0.05550.0202-0.0036-0.00730.01850.00280.038235.57860.96449.9885
179.8214-1.5649-1.977224.9321-3.755117.51210.01970.23960.1350.06070.13650.6185-0.2908-0.6636-0.15620.09240.00480.02390.20420.03140.027115.238420.7598-15.4705
181.1503-0.1948-0.01341.2968-0.31781.63860.01520.035-0.0104-0.00240.05330.17180.0018-0.3431-0.06850.0223-0.01080.00820.10450.01110.076211.038718.82617.0175
190.5558-0.05210.11741.01010.14051.17630.01660.0226-0.06120.00060.01940.01780.043-0.04-0.03590.0050.00560.00610.05410.01530.033119.788217.739416.3484
205.8709-3.7752-1.68498.82079.953922.7031-0.00310.4092-0.0334-0.1615-0.43370.440.4681-0.84860.43680.10370.00030.0030.15150.02360.044413.704220.4562-11.4247
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A32 - 93
2X-RAY DIFFRACTION2A94 - 144
3X-RAY DIFFRACTION3A145 - 246
4X-RAY DIFFRACTION4A247 - 296
5X-RAY DIFFRACTION5B33 - 93
6X-RAY DIFFRACTION6B94 - 144
7X-RAY DIFFRACTION7B145 - 246
8X-RAY DIFFRACTION8B247 - 297
9X-RAY DIFFRACTION9C34 - 109
10X-RAY DIFFRACTION10C110 - 144
11X-RAY DIFFRACTION11C145 - 246
12X-RAY DIFFRACTION12C247 - 295
13X-RAY DIFFRACTION13D32 - 52
14X-RAY DIFFRACTION14D53 - 246
15X-RAY DIFFRACTION15D247 - 255
16X-RAY DIFFRACTION16D256 - 298
17X-RAY DIFFRACTION17E32 - 44
18X-RAY DIFFRACTION18E45 - 107
19X-RAY DIFFRACTION19E108 - 288
20X-RAY DIFFRACTION20E289 - 298

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