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- PDB-4xvu: Structure of Get3 bound to the transmembrane domain of Nyv1 -

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Basic information

Entry
Database: PDB / ID: 4xvu
TitleStructure of Get3 bound to the transmembrane domain of Nyv1
Components
  • ATPase GET3
  • Antibody heavy chain
  • Antibody light chain
  • Nyv1 TMD
KeywordsHYDROLASE/TRANSPORT PROTEIN / membrane protein targeting complex / HYDROLASE-TRANSPORT PROTEIN complex
Function / homology
Function and homology information


GET complex / pheromone-dependent signal transduction involved in conjugation with cellular fusion / tail-anchored membrane protein insertion into ER membrane / Hydrolases; Acting on acid anhydrides / protein insertion into ER membrane / post-translational protein targeting to endoplasmic reticulum membrane / retrograde vesicle-mediated transport, Golgi to endoplasmic reticulum / response to arsenic-containing substance / response to metal ion / protein folding chaperone ...GET complex / pheromone-dependent signal transduction involved in conjugation with cellular fusion / tail-anchored membrane protein insertion into ER membrane / Hydrolases; Acting on acid anhydrides / protein insertion into ER membrane / post-translational protein targeting to endoplasmic reticulum membrane / retrograde vesicle-mediated transport, Golgi to endoplasmic reticulum / response to arsenic-containing substance / response to metal ion / protein folding chaperone / guanyl-nucleotide exchange factor activity / unfolded protein binding / response to heat / cellular response to oxidative stress / endoplasmic reticulum membrane / endoplasmic reticulum / Golgi apparatus / ATP hydrolysis activity / ATP binding / metal ion binding / identical protein binding / cytosol
Similarity search - Function
Arsenical pump ATPase, ArsA/GET3, eukaryotic / Arsenical pump ATPase, ArsA/GET3 / Anion-transporting ATPase-like domain / Anion-transporting ATPase / P-loop containing nucleotide triphosphate hydrolases / Immunoglobulins / Immunoglobulin-like / Sandwich / Rossmann fold / P-loop containing nucleoside triphosphate hydrolase ...Arsenical pump ATPase, ArsA/GET3, eukaryotic / Arsenical pump ATPase, ArsA/GET3 / Anion-transporting ATPase-like domain / Anion-transporting ATPase / P-loop containing nucleotide triphosphate hydrolases / Immunoglobulins / Immunoglobulin-like / Sandwich / Rossmann fold / P-loop containing nucleoside triphosphate hydrolase / 3-Layer(aba) Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
ADENOSINE-5'-TRIPHOSPHATE / ATPase GET3
Similarity search - Component
Biological speciesSaccharomyces cerevisiae (brewer's yeast)
Homo sapiens (human)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.35 Å
AuthorsMateja, A. / Paduch, M. / Chang, H.-Y. / Szydlowska, A. / Kossiakoff, A.A. / Hegde, R.S. / Keenan, R.J.
Funding support United States, 3items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01 GM086487 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)U01 GM094588 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)U54 GM087519 United States
CitationJournal: Science / Year: 2015
Title: Protein targeting. Structure of the Get3 targeting factor in complex with its membrane protein cargo.
Authors: Mateja, A. / Paduch, M. / Chang, H.Y. / Szydlowska, A. / Kossiakoff, A.A. / Hegde, R.S. / Keenan, R.J.
History
DepositionJan 28, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 18, 2015Provider: repository / Type: Initial release
Revision 1.1Sep 20, 2017Group: Author supporting evidence / Derived calculations / Source and taxonomy
Category: entity_src_gen / pdbx_audit_support / pdbx_struct_oper_list
Item: _entity_src_gen.pdbx_alt_source_flag / _pdbx_audit_support.funding_organization / _pdbx_struct_oper_list.symmetry_operation
Revision 1.2Dec 25, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3Sep 27, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_conn_type
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.conn_type_id / _struct_conn.id / _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.ptnr1_label_seq_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_conn.ptnr2_label_seq_id / _struct_conn_type.id
Revision 1.4Nov 6, 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: ATPase GET3
B: ATPase GET3
C: Antibody heavy chain
D: Antibody light chain
E: Antibody heavy chain
F: Antibody light chain
G: ATPase GET3
H: ATPase GET3
I: Antibody heavy chain
J: Antibody light chain
K: Antibody heavy chain
L: Antibody light chain
g: Nyv1 TMD
a: Nyv1 TMD
hetero molecules


Theoretical massNumber of molelcules
Total (without water)359,08824
Polymers356,83114
Non-polymers2,25710
Water14,556808
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area39710 Å2
ΔGint-333 kcal/mol
Surface area123260 Å2
MethodPISA
Unit cell
Length a, b, c (Å)79.440, 109.230, 111.350
Angle α, β, γ (deg.)63.050, 77.740, 70.170
Int Tables number1
Space group name H-MP1

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Components

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Antibody , 2 types, 8 molecules CEIKDFJL

#2: Antibody
Antibody heavy chain


Mass: 24560.430 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens, synthetic construct
Description: Obtained by phage display from a library of human IgG antibody fragment, the CDRs are completely synthetic
Plasmid: RH2.2 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)/pRIL
#3: Antibody
Antibody light chain


Mass: 23671.266 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens, synthetic construct
Description: Obtained by phage display from a library of human IgG antibody fragment, the CDRs are completely synthetic
Plasmid: RH2.2 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)/pRIL

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Protein / Protein/peptide , 2 types, 6 molecules ABGHga

#1: Protein
ATPase GET3 / Arsenical pump-driving ATPase / Arsenite-stimulated ATPase / Golgi to ER traffic protein 3 / Guided ...Arsenical pump-driving ATPase / Arsenite-stimulated ATPase / Golgi to ER traffic protein 3 / Guided entry of tail-anchored proteins 3


Mass: 39392.605 Da / Num. of mol.: 4 / Mutation: D57N
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (ATCC 204508 / S288c) (yeast)
Strain: ATCC 204508 / S288c / Gene: GET3, ARR4, YDL100C, D2371 / Plasmid: pCDF1b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)/pRIL
References: UniProt: Q12154, Hydrolases; Acting on acid anhydrides
#4: Protein/peptide Nyv1 TMD


Mass: 3166.895 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Plasmid: pET28 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)/pRIL

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Non-polymers , 4 types, 818 molecules

#5: Chemical
ChemComp-ATP / ADENOSINE-5'-TRIPHOSPHATE


Mass: 507.181 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C10H16N5O13P3 / Comment: ATP, energy-carrying molecule*YM
#6: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#7: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 808 / Source method: isolated from a natural source / Formula: H2O

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Details

Has protein modificationY
Sequence detailsThe sequence of the bound Nyv1 TMD peptide is: MGSHHHHHHSQKVKNITLLTFTIILFVSAAFMFFYLW However, due ...The sequence of the bound Nyv1 TMD peptide is: MGSHHHHHHSQKVKNITLLTFTIILFVSAAFMFFYLW However, due to relatively poor local density, this chain was modeled as a poly-alanine helix.

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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: 2.25 Å3/Da / Density % sol: 45.36 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / Details: 15% PEG 3350, 25 mM succinic acid pH 7.0

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.9795 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Mar 10, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9795 Å / Relative weight: 1
ReflectionResolution: 2.35→69.38 Å / Num. obs: 123349 / % possible obs: 95 % / Redundancy: 3.2 % / Net I/σ(I): 5.9
Reflection shellResolution: 2.35→2.43 Å / Redundancy: 3 % / Mean I/σ(I) obs: 1.8 / % possible all: 85

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
PHENIXrefinement
xia2data reduction
PHASERphasing
Coot3.15model building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2woj, 3pgf

2woj

3pgf


Resolution: 2.35→69.376 Å / SU ML: 0.29 / Cross valid method: FREE R-VALUE / σ(F): 2 / Phase error: 24.47 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2335 6207 5.03 %
Rwork0.1971 117129 -
obs0.1989 123336 94.58 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 267.48 Å2 / Biso mean: 67.0967 Å2 / Biso min: 23.66 Å2
Refinement stepCycle: final / Resolution: 2.35→69.376 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms22998 0 175 808 23981
Biso mean--40.71 46.69 -
Num. residues----2990
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00523644
X-RAY DIFFRACTIONf_angle_d0.95332072
X-RAY DIFFRACTIONf_chiral_restr0.0363639
X-RAY DIFFRACTIONf_plane_restr0.0044072
X-RAY DIFFRACTIONf_dihedral_angle_d12.8358553
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.35-2.37670.26771580.25053083324175
2.3767-2.40470.30321770.24853509368684
2.4047-2.4340.27512220.25263830405295
2.434-2.46480.28412180.24813954417295
2.4648-2.49720.31572060.24163964417095
2.4972-2.53150.27862280.24133956418496
2.5315-2.56760.25962070.23993952415996
2.5676-2.60590.29642080.24263983419196
2.6059-2.64670.27682240.23413961418596
2.6467-2.69010.30062150.23383911412696
2.6901-2.73650.28221920.23434014420696
2.7365-2.78620.29452050.24423935414095
2.7862-2.83980.29082190.24293917413695
2.8398-2.89780.27572210.23623961418297
2.8978-2.96080.29141890.23613972416196
2.9608-3.02970.2761970.22524031422897
3.0297-3.10540.27352180.22363969418796
3.1054-3.18940.2552010.22324004420596
3.1894-3.28320.26751960.22493928412495
3.2832-3.38920.26052400.223859409994
3.3892-3.51030.22462070.20063873408094
3.5103-3.65090.23122190.19543962418197
3.6509-3.8170.2122170.18684038425597
3.817-4.01820.20022050.17783968417397
4.0182-4.270.21012080.16853961416995
4.27-4.59960.18492100.1513781399192
4.5996-5.06230.16971920.14324020421297
5.0623-5.79460.19872080.16614008421697
5.7946-7.29930.21932040.19063874407894
7.2993-69.4060.19621960.17143951414796
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)
11.2567-0.5088-0.50872.1843-0.37441.62460.07850.2140.0177-0.7089-0.21180.8763-0.0091-0.09550.11210.51620.0254-0.25740.348-0.0480.553493.34665.1195216.1567
24.6467-1.406-0.15541.41660.09582.26250.0057-0.28361.40880.65770.41520.5269-0.9737-1.1838-0.24770.54970.2240.16790.79790.12680.809986.275273.2886240.4545
34.6955-0.23350.07742.33760.55064.4505-0.0913-0.2288-0.24570.401-0.10481.33390.1001-0.67960.09620.4529-0.06580.00180.4986-0.02560.986685.129558.8806229.8388
43.6325-0.95490.99274.81861.46511.54110.1148-0.1773-0.2294-0.5157-0.20890.96020.0619-0.07830.06410.47490.0039-0.14820.2778-0.05250.508698.969152.0894220.4223
53.3771-0.97340.06462.41860.66531.28010.09720.48210.0414-1.2425-0.1446-0.1821-0.08380.20920.07870.7580.0148-0.04970.4078-0.01150.3084110.059658.1839209.0401
64.4126-0.52240.37034.0290.13961.9807-0.0324-0.4766-0.08310.49410.03880.24630.3008-0.08370.00630.34390.00130.00780.3265-0.01330.2248112.597256.3248243.5164
71.00920.01780.20453.35790.02493.3481-0.0070.06850.1063-0.06860.0402-0.2464-0.01360.08-0.0240.2057-0.0330.0080.2967-0.0170.3552115.855167.9194234.0221
82.513-0.78880.42373.4812-0.07661.38610.17370.3295-0.5962-0.6683-0.32610.7718-0.2174-0.3030.21460.2275-0.0343-0.07870.2535-0.0310.357194.6241102.3498220.4402
91.7511-0.60420.72361.0647-0.30041.54720.15620.04170.0486-0.312-0.0218-0.3159-0.0894-0.1381-0.13830.2843-0.01760.04650.31990.01310.3994101.32795.8946223.2825
101.1542-0.19730.15322.71870.21581.59730.1218-0.6736-0.03890.7453-0.08540.00680.37590.0620.00420.2612-0.09330.05240.37690.01830.373798.872492.6922232.9508
112.1164-0.9717-1.13012.50580.63011.90440.00670.4809-0.2936-0.4538-0.14040.1150.0777-0.14320.10660.32330.02130.00180.4262-0.0680.411893.341691.9807222.9826
121.1010.01330.39751.7922-0.36060.19870.0068-0.25040.3695-0.0065-0.05060.2754-0.25440.18810.04580.2541-0.02830.03160.4408-0.02950.4597.1167103.473228.4893
131.2879-1.89670.05537.1366-0.47350.58270.073-0.04450.0276-0.87850.17730.3989-0.0339-0.2245-0.51240.336-0.06370.03880.29070.07940.488110.347392.3345223.1999
141.04670.4040.1921.7569-0.71481.027-0.38050.08470.02070.37830.25550.4962-0.24430.19280.25850.2676-0.0714-0.01010.35270.02160.505889.6857116.6637224.0858
151.2878-1.1891-0.29251.5281-0.15962.59990.2615-1.0701-0.05960.2705-0.3225-1.2498-0.430.224-0.25970.5299-0.1575-0.01090.466-0.02080.6868104.503142.9871224.2421
161.92320.7059-0.07972.61860.46891.1669-0.48050.38450.1537-0.61250.8867-0.6667-0.37740.3631-0.35170.5215-0.12370.08520.4912-0.1160.487599.5107130.8698219.2099
171.3318-0.05550.70431.88150.12381.65280.02610.5704-0.0543-0.14380.3005-0.6249-0.4283-0.1074-0.37440.4135-0.03810.11020.4187-0.06260.5007102.453128.0814223.3037
184.09654.3165-1.89436.4233-3.01514.04250.00180.14840.5301-0.26480.8914-0.8752-0.79360.0913-0.63270.5402-0.06980.2320.3899-0.12370.8741106.0016136.5305220.5265
192.12380.21710.15111.84520.07311.4359-0.51290.63580.0105-0.96020.592-0.42080.0942-0.0675-0.20770.826-0.29590.14210.7782-0.05560.640499.3218135.7177213.2347
203.59780.7353-0.5763.3209-0.19392.56820.0899-0.04590.8620.0596-0.02750.3186-0.0392-0.9663-0.0111.01630.0231-0.08730.6856-0.02260.583795.9672140.756216.5398
214.22622.9062-0.31432.5410.00882.70440.1007-0.54780.31370.37250.0096-0.69730.0721-0.35860.04190.2781-0.08970.05340.4356-0.05310.8205120.4694108.7674235.2838
222.9082-0.75810.87693.3693-0.1791.36050.0286-0.00870.43990.0759-0.0706-0.1785-0.1163-0.05140.03630.1859-0.02860.04150.28620.00150.3964118.8086100.5089230.2747
230.20130.2467-0.09271.80670.13290.0474-0.3921-0.03320.70440.1365-0.1721-1.0149-0.16990.2163-0.21530.0242-0.2253-0.07050.3576-0.07641.4391122.5229124.6601229.1654
243.58491.7086-1.06843.23950.17762.8336-0.0835-0.132-0.02480.53710.0047-0.528-0.1114-0.14920.10220.4583-0.0379-0.09320.33050.00680.4291104.152135.5305234.247
253.83160.53-0.95733.09730.59182.6480.1513-0.0859-0.02270.2059-0.327-0.5538-0.2888-0.17160.09930.471-0.0102-0.09370.33750.00280.4663106.6102137.6634234.4511
261.4679-0.99570.55385.34690.48752.409-0.1461-0.30240.17420.89730.15540.41060.15730.02050.05980.37610.00430.10350.2964-0.02110.3628109.974125.6996233.3669
270.70520.3580.19897.8497-0.86370.9432-0.0641-0.1043-0.07690.55060.05190.2164-0.08290.0229-0.05480.19120.03850.04510.3273-0.00270.2396112.82999.481226.7937
283.3729-0.6402-0.41733.45180.59953.44970.0698-0.1334-0.27480.27710.1354-0.0623-0.01070.0011-0.13830.2908-0.0289-0.00610.31270.05590.3784117.818-11.0333227.6569
295.0468-1.01050.03344.8320.22462.55280.2278-0.38960.2281-1.0729-0.04460.9307-0.4546-0.1714-0.40030.4518-0.0848-0.04030.30080.00740.5223104.12515.5872208.0651
301.04330.08160.21394.75520.17760.7148-0.082-0.03360.148-0.61260.06920.3191-0.2712-0.00650.01970.3071-0.0096-0.02730.2828-0.00370.2906108.382915.9023212.9493
311.1017-0.1089-0.83372.23150.06232.65210.0122-0.0076-0.06950.3-0.05060.2721-0.1242-0.03370.08440.22860.03690.05250.31950.0310.2784101.0133-8.8158219.8582
322.97260.3064-0.84741.6194-0.83073.5303-0.1188-0.2976-0.4380.06340.10710.05120.3207-0.12190.04620.24760.02920.06920.29210.05390.392102.7399-13.4088219.8346
332.2943-0.5514-0.11152.7393-0.04752.89440.01030.1301-0.11590.0167-0.05850.19450.22440.11590.06930.27450.0532-0.02470.2941-0.00950.22576.871676.9943192.3762
342.7249-0.5155-0.84071.81860.13753.1421-0.03140.09060.02580.0475-0.02730.3060.0487-0.25690.09930.25940.0304-0.04410.3189-0.02280.317866.822585.3598187.0809
351.5840.0798-1.39851.3756-0.63863.2259-0.08910.12190.0266-0.1267-0.0512-0.58880.31180.50580.17140.31160.0654-0.04320.51810.01880.376192.252282.9398180.511
361.96810.2202-0.51932.3948-0.29814.0395-0.06070.11680.1247-0.13990.02260.4642-0.1304-0.6073-0.0050.39560.0222-0.10820.47210.01330.348361.052479.4593162.6822
371.66620.9704-0.32861.6436-0.46842.674-0.0835-0.1774-0.2428-0.1950.11850.54060.4034-0.74610.03660.4526-0.0375-0.08860.4896-0.05980.45955.309170.0334164.2002
383.22431.04281.25722.99540.24162.682-0.048-0.2021-0.31290.24040.2888-0.17330.19920.1072-0.06220.61560.18230.09970.41250.07160.427279.682466.3977168.0476
391.9222-0.21411.62861.9801-0.31371.8535-0.11030.3686-0.1878-0.36680.0582-0.39670.28190.59640.06530.50040.10490.1240.5367-0.01480.289386.417471.1609160.9949
402.98960.31640.35623.645-0.64183.35050.3826-0.8998-0.10211.1288-0.43730.1259-0.08590.08630.11960.68410.0840.02160.4712-0.01950.407774.734440.6229195.4954
411.7273-0.1153-0.81093.0477-0.07972.3564-0.0958-0.14130.04240.5038-0.10490.38910.2235-0.2610.28840.469-0.01160.03720.4876-0.06310.354272.173647.8832187.7861
421.1240.55790.12753.06850.02241.66020.0978-0.4271-0.33660.6429-0.1256-0.14550.45320.00210.07910.81370.04270.05820.54930.0150.452876.58826.7973192.7604
435.8217-1.76520.84792.0798-0.21842.4795-0.10380.6737-0.7804-0.1449-0.2164-0.15790.43470.5384-0.08391.08040.0520.25520.87870.0940.785783.286612.5953201.4335
442.8127-0.8747-0.99162.5176-0.25452.36380.0570.6802-0.3938-0.6347-0.42110.36060.1281-0.69230.34630.68010.0070.01180.5789-0.1250.412175.818232.6968165.7638
452.0631-0.0599-0.5062.0593-0.45573.2741-0.1349-0.1261-0.22160.0072-0.0571-0.08460.8293-0.02290.13940.6970.00320.07890.3664-0.0480.308580.720130.0786175.2744
460.183-0.3412-0.06530.7697-0.50963.1625-0.33350.1566-0.3013-0.2578-0.02570.20240.3333-1.00460.37521.4122-0.11190.11370.7421-0.03520.694574.96316.1491184.0708
472.2921-0.59520.60481.7148-0.68492.63110.0292-0.3469-0.784-0.4347-0.29610.07921.2276-0.36670.03391.3219-0.14420.18220.69570.0320.699372.49027.3544188.4217
481.3766-2.2187-0.24413.65790.33960.0677-0.9705-0.1072-0.9132-0.73270.429-0.57240.9663-0.47940.75382.183-0.52550.47111.19380.04521.187273.8394-3.7232186.4593
492.27270.13130.02352.7158-0.25543.50550.25830.0957-0.1342-0.8446-0.48210.5428-0.589-0.10360.26460.4495-0.0225-0.11650.35820.0080.417268.9739117.2567157.9132
502.13390.06461.37471.9144-0.37692.1247-0.1847-0.10840.0611-0.43690.2074-0.0298-0.2287-0.21780.00950.38860.0079-0.02820.3926-0.0030.308673.5009111.3395165.0991
512.4577-0.6206-1.15963.82521.72533.8902-0.0823-0.3623-0.10190.2139-0.22210.61790.3444-0.44250.43860.28990.0419-0.02410.5118-0.03360.402566.0675107.8012170.0063
522.22480.22790.81422.4741-0.15821.8569-0.373-0.11420.5421-0.19260.05410.2956-0.3179-0.23150.35930.43320.026-0.09820.4477-0.01860.365568.8107113.9053163.6141
532.0005-0.43670.69633.3796-0.6872.185-0.40960.05580.3593-0.1132-0.09850.1079-0.5759-0.2670.33560.3714-0.0124-0.12840.39230.00940.279673.4118118.7262163.4297
540.06750.2065-0.12950.5874-0.42380.2787-0.40240.2460.4551-0.0836-0.60340.0145-0.81640.3406-0.41542.2666-0.1837-1.82350.55430.81820.982471.2547152.2572160.2169
550.603-1.34480.52053.6107-0.8110.5089-0.55521.01130.4629-1.09450.30340.7498-1.57490.0933-0.14321.8617-0.2347-0.46040.71240.17220.577175.014145.5958158.4837
560.3456-0.47260.2150.6211-0.31850.19230.7940.33270.1977-0.0577-0.7776-0.0403-0.25520.4190.09692.1839-0.3189-0.40070.99230.27681.153973.9334150.3233151.1588
572.79531.22580.04980.557-0.07610.257-0.05110.28880.78610.24210.05090.3654-0.2239-0.26310.08482.3054-0.2198-0.55680.74410.45850.95969.4352155.5841153.2843
581.88181.0851-0.24054.1573-0.03783.1210.1244-0.56640.00580.2437-0.2852-0.2184-0.2945-0.03510.15080.3947-0.0774-0.01870.47250.04640.339986.7665121.3863180.2433
593.5830.72060.90253.83731.08830.8051-0.17720.1369-0.0572-0.247-0.1658-0.8751-0.14380.21430.05330.4376-0.0299-0.00050.44990.05930.41991.3893116.3606173.9359
601.1684-0.23031.21873.57540.0431.4312-0.07880.0884-0.0193-0.1454-0.0294-0.2669-0.13640.02940.18010.4287-0.01630.00220.4309-0.01640.3184.8371118.667175.2278
610.0232-0.3036-0.06314.64050.73280.14440.1220.08670.45630.0614-0.3907-0.8679-0.9732-0.07650.29020.6291-0.1245-0.00520.43410.00480.504591.4627141.1208173.543
621.91760.8062-0.0313.6517-2.21152.22590.120.14330.2863-0.65750.43731.3407-0.3822-0.2718-0.12661.65710.0681-0.82430.3859-0.0911.670866.8372156.4116165.1211
633.26791.16491.83413.8937-0.28552.9374-0.287-0.70690.7598-1.145-0.3461.4721-0.593-0.37140.46270.72090.0075-0.25510.5015-0.12760.831777.0889147.0947173.0526
641.2341-0.1868-1.22840.00640.08181.156-0.3312-1.01921.2436-0.9597-0.40661.8803-1.1552-0.31680.3761.3250.4237-0.59130.7263-0.47111.970369.8594156.4906175.1501
65-0.00030.00510.0040.004-0.00430.0057-0.28810.38140.0795-0.10680.4756-0.0042-0.02690.1485-0.15421.3916-0.14820.4991.3059-0.02842.647545.235181.9454176.2154
661.16420.8462-0.71461.7520.47661.6572-0.0952-0.02060.21960.50770.2460.46580.3186-0.114-0.39821.157-0.1940.38651.2194-0.16291.219487.991959.0516247.8828
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 4 through 89 )A0
2X-RAY DIFFRACTION2chain 'A' and (resid 90 through 135 )A0
3X-RAY DIFFRACTION3chain 'A' and (resid 136 through 215 )A0
4X-RAY DIFFRACTION4chain 'A' and (resid 216 through 285 )A0
5X-RAY DIFFRACTION5chain 'A' and (resid 286 through 352 )A0
6X-RAY DIFFRACTION6chain 'B' and (resid 4 through 178 )B0
7X-RAY DIFFRACTION7chain 'B' and (resid 179 through 352 )B0
8X-RAY DIFFRACTION8chain 'C' and (resid 4 through 20 )C0
9X-RAY DIFFRACTION9chain 'C' and (resid 21 through 48 )C0
10X-RAY DIFFRACTION10chain 'C' and (resid 49 through 70 )C0
11X-RAY DIFFRACTION11chain 'C' and (resid 71 through 86 )C0
12X-RAY DIFFRACTION12chain 'C' and (resid 87 through 102 )C0
13X-RAY DIFFRACTION13chain 'C' and (resid 103 through 115 )C0
14X-RAY DIFFRACTION14chain 'C' and (resid 116 through 128 )C0
15X-RAY DIFFRACTION15chain 'C' and (resid 129 through 143 )C0
16X-RAY DIFFRACTION16chain 'C' and (resid 144 through 166 )C0
17X-RAY DIFFRACTION17chain 'C' and (resid 167 through 184 )C0
18X-RAY DIFFRACTION18chain 'C' and (resid 185 through 197 )C0
19X-RAY DIFFRACTION19chain 'C' and (resid 198 through 212 )C0
20X-RAY DIFFRACTION20chain 'C' and (resid 213 through 225 )C0
21X-RAY DIFFRACTION21chain 'D' and (resid 2 through 19 )D0
22X-RAY DIFFRACTION22chain 'D' and (resid 20 through 105 )D0
23X-RAY DIFFRACTION23chain 'D' and (resid 106 through 116 )D0
24X-RAY DIFFRACTION24chain 'D' and (resid 117 through 166 )D0
25X-RAY DIFFRACTION25chain 'D' and (resid 167 through 217 )D0
26X-RAY DIFFRACTION26chain 'E' and (resid 4 through 94 )E0
27X-RAY DIFFRACTION27chain 'E' and (resid 95 through 143 )E0
28X-RAY DIFFRACTION28chain 'E' and (resid 144 through 225 )E0
29X-RAY DIFFRACTION29chain 'F' and (resid 2 through 19 )F0
30X-RAY DIFFRACTION30chain 'F' and (resid 20 through 131 )F0
31X-RAY DIFFRACTION31chain 'F' and (resid 132 through 166 )F0
32X-RAY DIFFRACTION32chain 'F' and (resid 167 through 217 )F0
33X-RAY DIFFRACTION33chain 'G' and (resid 5 through 94 )G0
34X-RAY DIFFRACTION34chain 'G' and (resid 95 through 285 )G0
35X-RAY DIFFRACTION35chain 'G' and (resid 286 through 352 )G0
36X-RAY DIFFRACTION36chain 'H' and (resid 4 through 197 )H0
37X-RAY DIFFRACTION37chain 'H' and (resid 198 through 245 )H0
38X-RAY DIFFRACTION38chain 'H' and (resid 246 through 285 )H0
39X-RAY DIFFRACTION39chain 'H' and (resid 286 through 352 )H0
40X-RAY DIFFRACTION40chain 'I' and (resid 4 through 20 )I0
41X-RAY DIFFRACTION41chain 'I' and (resid 21 through 86 )I0
42X-RAY DIFFRACTION42chain 'I' and (resid 87 through 184 )I0
43X-RAY DIFFRACTION43chain 'I' and (resid 185 through 225 )I0
44X-RAY DIFFRACTION44chain 'J' and (resid 3 through 33 )J0
45X-RAY DIFFRACTION45chain 'J' and (resid 34 through 131 )J0
46X-RAY DIFFRACTION46chain 'J' and (resid 132 through 153 )J0
47X-RAY DIFFRACTION47chain 'J' and (resid 154 through 191 )J0
48X-RAY DIFFRACTION48chain 'J' and (resid 192 through 217 )J0
49X-RAY DIFFRACTION49chain 'K' and (resid 4 through 20 )K0
50X-RAY DIFFRACTION50chain 'K' and (resid 21 through 55 )K0
51X-RAY DIFFRACTION51chain 'K' and (resid 56 through 76 )K0
52X-RAY DIFFRACTION52chain 'K' and (resid 77 through 103 )K0
53X-RAY DIFFRACTION53chain 'K' and (resid 104 through 128 )K0
54X-RAY DIFFRACTION54chain 'K' and (resid 129 through 154 )K0
55X-RAY DIFFRACTION55chain 'K' and (resid 155 through 197 )K0
56X-RAY DIFFRACTION56chain 'K' and (resid 198 through 212 )K0
57X-RAY DIFFRACTION57chain 'K' and (resid 213 through 225 )K0
58X-RAY DIFFRACTION58chain 'L' and (resid 2 through 39 )L0
59X-RAY DIFFRACTION59chain 'L' and (resid 40 through 76 )L0
60X-RAY DIFFRACTION60chain 'L' and (resid 77 through 105 )L0
61X-RAY DIFFRACTION61chain 'L' and (resid 106 through 116 )L0
62X-RAY DIFFRACTION62chain 'L' and (resid 117 through 131 )L0
63X-RAY DIFFRACTION63chain 'L' and (resid 132 through 177 )L0
64X-RAY DIFFRACTION64chain 'L' and (resid 178 through 217 )L0
65X-RAY DIFFRACTION65chain 'g' and (resid 34 through 45 )g0
66X-RAY DIFFRACTION66chain 'a' and (resid 1 through 25 )a0

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