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- PDB-6vi1: Structure of Fab4 bound to P22 TerL(1-33) -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 6vi1
TitleStructure of Fab4 bound to P22 TerL(1-33)
Components
  • Synthetic Fab4 heavy chain
  • Synthetic Fab4 light chain
  • Terminase, large subunit
KeywordsIMMUNE SYSTEM / Synthetic fab / large terminase / genome-packaging / crystallization chaperone / VIRAL PROTEIN
Function / homology
Function and homology information


viral terminase complex / viral terminase, large subunit / viral DNA genome packaging / Hydrolases; Acting on ester bonds; Endodeoxyribonucleases producing 5'-phosphomonoesters / chromosome organization / Hydrolases; Acting on acid anhydrides; Acting on acid anhydrides to facilitate cellular and subcellular movement / endonuclease activity / ATP hydrolysis activity / ATP binding / metal ion binding
Similarity search - Function
Terminase, large subunit BPP22-like / Terminase, large subunit gp17-like, C-terminal / Terminase RNaseH-like domain / Terminase large subunit, T4likevirus-type, N-terminal / P-loop containing nucleoside triphosphate hydrolase
Similarity search - Domain/homology
Terminase, large subunit
Similarity search - Component
Biological speciesHomo sapiens (human)
Salmonella phage P22 (virus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
AuthorsCingolani, G. / Lokareddy, R. / Ko, Y.
Funding support United States, 3items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM100888 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)OD017987 United States
National Institutes of Health/National Cancer Institute (NIH/NCI)CA56036 United States
CitationJournal: Acta Crystallogr D Struct Biol / Year: 2020
Title: Recognition of an alpha-helical hairpin in P22 large terminase by a synthetic antibody fragment.
Authors: Lokareddy, R.K. / Ko, Y.H. / Hong, N. / Doll, S.G. / Paduch, M. / Niederweis, M. / Kossiakoff, A.A. / Cingolani, G.
History
DepositionJan 11, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 2, 2020Provider: repository / Type: Initial release
Revision 1.1Sep 9, 2020Group: Database references / Category: citation / citation_author
Item: _citation.journal_abbrev / _citation.journal_id_CSD ..._citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Oct 11, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
D: Synthetic Fab4 light chain
E: Synthetic Fab4 heavy chain
A: Synthetic Fab4 light chain
B: Synthetic Fab4 heavy chain
C: Synthetic Fab4 light chain
F: Synthetic Fab4 heavy chain
G: Synthetic Fab4 light chain
H: Synthetic Fab4 heavy chain
I: Synthetic Fab4 light chain
J: Synthetic Fab4 heavy chain
K: Synthetic Fab4 light chain
L: Synthetic Fab4 heavy chain
M: Terminase, large subunit
N: Terminase, large subunit
O: Terminase, large subunit
P: Terminase, large subunit
Q: Terminase, large subunit
R: Terminase, large subunit


Theoretical massNumber of molelcules
Total (without water)319,72918
Polymers319,72918
Non-polymers00
Water15,061836
1
D: Synthetic Fab4 light chain
E: Synthetic Fab4 heavy chain
M: Terminase, large subunit


Theoretical massNumber of molelcules
Total (without water)53,2883
Polymers53,2883
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
A: Synthetic Fab4 light chain
B: Synthetic Fab4 heavy chain
N: Terminase, large subunit


Theoretical massNumber of molelcules
Total (without water)53,2883
Polymers53,2883
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Synthetic Fab4 light chain
F: Synthetic Fab4 heavy chain
O: Terminase, large subunit


Theoretical massNumber of molelcules
Total (without water)53,2883
Polymers53,2883
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
G: Synthetic Fab4 light chain
H: Synthetic Fab4 heavy chain
P: Terminase, large subunit


Theoretical massNumber of molelcules
Total (without water)53,2883
Polymers53,2883
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
I: Synthetic Fab4 light chain
J: Synthetic Fab4 heavy chain
Q: Terminase, large subunit


Theoretical massNumber of molelcules
Total (without water)53,2883
Polymers53,2883
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
K: Synthetic Fab4 light chain
L: Synthetic Fab4 heavy chain
R: Terminase, large subunit


Theoretical massNumber of molelcules
Total (without water)53,2883
Polymers53,2883
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)77.747, 139.334, 163.761
Angle α, β, γ (deg.)90.000, 98.300, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11chain A
21chain C
31chain D
41chain G
51chain I
61chain K
12(chain B and resid 220 through 449)
22chain E
32(chain F and resid 220 through 449)
42(chain H and resid 220 through 449)
52chain J
62(chain L and resid 220 through 449)
13chain M
23chain N
33chain O
43chain P
53chain Q
63chain R

NCS domain segments:

Component-ID: 1

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ASPASPGLYGLYchain AAC1 - 2142 - 215
21ASPASPGLYGLYchain CCE1 - 2142 - 215
31ASPASPGLYGLYchain DDA1 - 2142 - 215
41ASPASPGLYGLYchain GGG1 - 2142 - 215
51ASPASPGLYGLYchain III1 - 2142 - 215
61ASPASPGLYGLYchain KKK1 - 2142 - 215
12GLUGLUPROPRO(chain B and resid 220 through 449)BD220 - 4496 - 235
22GLUGLUPROPROchain EEB220 - 4496 - 235
32GLUGLUPROPRO(chain F and resid 220 through 449)FF220 - 4496 - 235
42GLUGLUPROPRO(chain H and resid 220 through 449)HH220 - 4496 - 235
52GLUGLUPROPROchain JJJ220 - 4496 - 235
62GLUGLUPROPRO(chain L and resid 220 through 449)LL220 - 4496 - 235
13METMETGLUGLUchain MMM1 - 231 - 23
23METMETGLUGLUchain NNN1 - 231 - 23
33METMETGLUGLUchain OOO1 - 231 - 23
43METMETGLUGLUchain PPP1 - 231 - 23
53METMETGLUGLUchain QQQ1 - 231 - 23
63METMETGLUGLUchain RRR1 - 231 - 23

NCS ensembles :
ID
1
2
3

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Components

#1: Antibody
Synthetic Fab4 light chain


Mass: 23286.883 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Details: PROTEIN SELECTED BY PHAGE DISPLAY / Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli)
#2: Antibody
Synthetic Fab4 heavy chain


Mass: 26025.027 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Details: PROTEIN SELECTED BY PHAGE DISPLAY / Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli)
#3: Protein/peptide
Terminase, large subunit / DNA-packaging protein gp2 / Gene product 2 / gp2


Mass: 3976.288 Da / Num. of mol.: 6 / Source method: obtained synthetically / Source: (synth.) Salmonella phage P22 (virus)
References: UniProt: P26745, type II site-specific deoxyribonuclease, DNA helicase, Hydrolases; Acting on acid anhydrides; Acting on acid anhydrides to facilitate cellular and subcellular movement
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 836 / 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: 2.75 Å3/Da / Density % sol: 55.19 %
Crystal growTemperature: 292 K / Method: vapor diffusion / pH: 6.5
Details: 100 mM KCl, 25 mM MgCl2, 50 mM Na-Cacodylate trihydrate pH 6.0, 15% (v/v) 2-propanol

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL9-2 / Wavelength: 0.978 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 29, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.978 Å / Relative weight: 1
ReflectionResolution: 2.4→50 Å / Num. obs: 127623 / % possible obs: 94 % / Redundancy: 2.5 % / Biso Wilson estimate: 32.5 Å2 / Rpim(I) all: 0.085 / Rsym value: 0.118 / Net I/σ(I): 11.3
Reflection shellResolution: 2.4→2.49 Å / Mean I/σ(I) obs: 2.3 / Num. unique obs: 12764 / CC1/2: 0.508 / Rpim(I) all: 0.555 / Rsym value: 0.639

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
PDB_EXTRACT3.25data extraction
HKL-2000data reduction
SCALEPACKdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5EU7
Resolution: 2.4→14.98 Å / SU ML: 0.34 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 26.03
RfactorNum. reflection% reflection
Rfree0.2394 1977 1.57 %
Rwork0.1887 --
obs0.1895 126104 94.02 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 191.87 Å2 / Biso mean: 51.7492 Å2 / Biso min: 16.36 Å2
Refinement stepCycle: final / Resolution: 2.4→14.98 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms21330 0 0 836 22166
Biso mean---43 -
Num. residues----2808
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A3834X-RAY DIFFRACTION6.414TORSIONAL
12C3834X-RAY DIFFRACTION6.414TORSIONAL
13D3834X-RAY DIFFRACTION6.414TORSIONAL
14G3834X-RAY DIFFRACTION6.414TORSIONAL
15I3834X-RAY DIFFRACTION6.414TORSIONAL
16K3834X-RAY DIFFRACTION6.414TORSIONAL
21B4152X-RAY DIFFRACTION6.414TORSIONAL
22E4152X-RAY DIFFRACTION6.414TORSIONAL
23F4152X-RAY DIFFRACTION6.414TORSIONAL
24H4152X-RAY DIFFRACTION6.414TORSIONAL
25J4152X-RAY DIFFRACTION6.414TORSIONAL
26L4152X-RAY DIFFRACTION6.414TORSIONAL
31M396X-RAY DIFFRACTION6.414TORSIONAL
32N396X-RAY DIFFRACTION6.414TORSIONAL
33O396X-RAY DIFFRACTION6.414TORSIONAL
34P396X-RAY DIFFRACTION6.414TORSIONAL
35Q396X-RAY DIFFRACTION6.414TORSIONAL
36R396X-RAY DIFFRACTION6.414TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 14

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.4-2.460.31671410.30318856899794
2.46-2.530.29611400.29318786892693
2.53-2.60.37431390.27838709884893
2.6-2.680.32331440.26449075921996
2.68-2.780.3061440.2539008915296
2.78-2.890.29771430.24058983912695
2.89-3.020.30981420.22528893903595
3.02-3.180.25141360.2128616875292
3.18-3.370.29711440.20279013915795
3.37-3.630.23451430.17478974911795
3.63-3.990.20221420.1688899904194
3.99-4.550.17931400.13788793893393
4.55-5.680.17441410.13428897903894
5.68-14.980.20591380.15568625876390
Refinement TLS params.

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

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
11.03510.34440.23411.78140.42581.6613-0.05940.0275-0.1517-0.05420.03620.0031-0.02180.0201-0.00040.26380.03720.02520.30910.0050.3749-24.91719.966917.5079
21.49790.498-0.99251.17510.58821.7433-0.21660.2859-0.1775-0.29030.17440.0071-0.0302-0.13380.01470.3924-0.1165-0.02110.5203-0.06510.483-38.127319.3903-16.0945
30.98870.0213-0.21951.5082-0.34531.0823-0.16270.2011-0.0554-0.27620.10580.15550.2912-0.1706-0.0060.4338-0.0776-0.01480.5222-0.09530.5428-36.107416.6552-17.3885
41.0806-0.20851.53421.2518-1.63894.5155-0.2295-0.09910.18950.24380.09140.1008-0.8202-0.3188-0.00420.48070.035-0.00150.3275-0.02450.3974-23.917440.668915.0599
50.6873-0.3889-0.48520.21010.0251.2038-0.40370.1978-0.5251-0.5870.14620.28260.8273-0.38660.00830.6906-0.14240.04060.7956-0.10980.672-49.55821.9425-16.7139
60.77881.34860.3081.7427-0.3980.902-0.11550.10120.17790.00360.10020.4612-0.1666-0.33740.00030.32890.01230.03150.5722-0.01670.594-43.514530.7116-8.6619
70.90041.2016-0.03091.1693-0.13291.0922-0.1199-0.1025-0.00830.24280.04010.09060.22250.17850.00850.3148-0.00760.01480.3390.01750.390514.6707-4.438726.2641
80.862-0.2731-0.37171.24410.1391.90710.0237-0.0576-0.01190.0283-0.02010.02870.03790.0266-0.00020.2934-0.02730.01270.3037-0.00630.34489.0441-9.88128.7426
90.7327-0.0139-0.10490.3873-0.05730.3455-0.05080.1653-0.7998-0.2450.17570.5481-0.1503-0.3415-0.01470.76150.0087-0.16520.5864-0.06760.5316-8.0791-11.6101-10.1069
100.9489-0.2264-0.03010.151-0.16540.4367-0.167-0.17510.2192-0.118-0.1102-0.1444-0.2508-0.0950.02010.6365-0.06190.00190.39430.01020.53944.9163-8.0806-3.4906
111.7573-0.43440.21850.77470.62480.68880.2295-0.36840.3211-0.2551-0.13620.2850.3003-0.4569-0.00660.7559-0.17370.06310.4608-0.07440.52423.9916-7.59320.0148
120.33580.10810.24750.28820.04530.11050.1325-0.34590.1015-0.16950.02020.3319-0.1876-0.4361-0.00010.671-0.0444-0.04390.4712-0.02530.4872-4.5917-4.8795-8.1775
130.0687-0.143-0.01990.19160.08110.25380.30270.24870.2674-0.126-0.2660.0584-0.30760.25830.0110.8655-0.0887-0.03090.42760.09710.52063.0873-5.5221-13.6685
140.21370.0136-0.40930.9174-0.01720.78270.47420.21250.155-0.2162-0.31430.0706-0.1860.4185-0.00070.7803-0.03960.03930.63020.01290.46767.5047-10.7371-12.5241
150.88830.4468-0.26110.30580.34331.28430.0350.016-0.19280.1616-0.02380.58910.0613-0.1218-0.00930.3599-0.0013-0.03140.3664-0.00450.6436-15.746-6.864125.1261
162.9672-0.96050.16390.95380.49881.82470.1335-0.253-0.07660.20020.0150.45460.0799-0.3098-0.00320.3336-0.02550.08630.3566-0.01390.4869-11.6699-3.569133.4655
170.58760.4484-0.53950.56930.10010.84840.1578-0.0787-0.57490.0012-0.1056-0.12620.58230.5071-0.01690.5713-0.04840.07640.51910.05410.41435.5625-11.7549.6198
180.80960.2356-0.01021.4656-0.29391.6344-0.13180.09840.0798-0.3758-0.04280.0360.2455-0.4138-0.00870.43-0.02190.03630.3133-0.01390.4899-8.6282-10.996310.1485
190.2344-0.236-0.02890.26740.12890.6923-0.07290.0777-0.2183-0.1575-0.19680.37950.3477-0.5301-0.00020.5239-0.0186-0.01160.4141-0.07130.5597-10.566-14.18423.77
201.39770.5221-0.58520.35370.46011.8153-0.14130.10920.0405-0.3256-0.0282-0.16130.2355-0.01160.00250.665-0.03890.05590.3478-0.07210.5497-5.3-14.31342.4825
210.4765-0.05050.33260.8219-0.28890.59-0.16110.2123-0.0721-0.1912-0.13570.54710.8254-0.81860.01530.8091-0.1487-0.01640.5341-0.05290.6234-14.7767-19.8164-0.1115
220.95120.48890.38510.367-0.09391.30010.04270.0948-0.14010.0096-0.1133-0.05260.0863-0.2463-0.00420.3679-0.03940.04970.4070.03340.4065-19.527227.5262-19.1073
231.924-0.43590.62091.8298-0.64991.68930.04030.1157-0.0064-0.12380.04750.13660.10510.06940.00030.2725-0.03250.02290.31570.00660.3568-9.91229.4703-18.9211
240.2476-0.08670.08170.2319-0.28940.52470.14750.4768-0.0267-0.352-0.3869-0.1468-0.21380.1773-0.00550.47370.0628-0.08670.40480.00180.4662-25.61437.007-33.5493
250.36760.1452-0.18050.47240.01680.43750.30930.5954-0.0251-0.57260.2465-0.15230.04310.0660.00330.94990.0824-0.06190.8293-0.12780.4686-20.834729.296-62.6531
260.8246-0.1359-0.14770.7842-0.20560.45470.1390.2804-0.1118-0.1005-0.23840.4610.6552-0.08510.02150.60530.0472-0.11240.6062-0.02760.5368-27.987930.3706-49.4075
271.1374-0.9566-0.35491.0181-0.29820.9779-0.17560.30280.0236-0.5610.10050.1509-0.2218-0.1608-0.00370.5652-0.0057-0.04530.5499-0.00980.574-25.421729.0017-46.9062
280.30530.2642-0.39340.51290.1360.65410.27470.3618-0.3455-0.4395-0.11110.70710.6899-0.1160.01290.94470.0792-0.32130.6417-0.15790.5256-24.818624.1544-58.1298
290.5022-0.008-0.71150.65340.79491.74030.89870.971-0.1053-0.9291-0.28390.67690.3451-0.22160.4071.1440.2335-0.50691.0986-0.13010.628-33.427328.1721-58.274
300.51730.70830.45881.00860.45810.29540.46660.4530.2959-0.988-0.69721.75160.9467-0.62620.17131.04280.3678-0.45251.180.11820.3089-34.202234.5577-55.5654
311.0187-0.68040.18391.82170.37834.2770.23710.2736-0.0691-0.2664-0.0583-0.39850.24950.7467-0.01410.390.08680.01680.5192-0.04120.493.870818.9481-25.9773
320.7650.48280.23941.027-0.02682.01450.08470.36980.0169-0.4945-0.11670.0839-0.20280.1986-0.02680.65290.12840.02210.5193-0.01760.4273-9.077327.8204-46.8883
330.7022-0.4688-0.1381.0106-0.04621.35340.21750.264-0.0146-0.5448-0.0763-0.1114-0.01140.2247-0.00070.70820.05220.06760.61490.01870.5001-10.996232.2922-54.6625
341.0711-0.44660.07990.5178-0.03061.0923-0.1429-0.2711-0.04180.27930.2810.5801-0.29-0.4599-0.00390.4740.06880.07150.63260.09180.573-2.9554-17.9916-62.7805
350.2814-0.48230.65212.525-0.39231.3482-0.00570.01020.0073-0.00670.18080.3344-0.0481-0.2771-0.00440.3486-0.00030.03860.47870.04920.40464.7085-20.8532-64.7102
360.9997-0.40521.00781.3052-0.79261.0070.26420.0810.1004-0.449-0.0160.1690.0914-0.83550.03530.709-0.0774-0.05770.77510.15740.5188-7.1518-16.1215-98.3457
370.9712-0.3279-0.78851.3577-0.22771.7693-0.1257-0.0760.0181-0.34810.06980.47860.1372-0.73070.00950.6831-0.0147-0.13480.73240.14450.6372-10.4863-14.5636-97.6615
380.90370.19340.52562.732-0.08074.12320.0160.0535-0.2272-0.49120.19480.00260.60880.2041-0.00980.5738-0.0344-0.04110.43090.02950.43418.5303-39.5631-69.7794
391.44990.63770.84981.51940.09352.64430.17130.35370.0023-0.35050.1181-0.05820.5610.1898-0.00180.7922-0.0102-0.04670.60660.07440.58244.3504-22.8108-98.9862
401.50620.8542-0.09821.65260.21791.0067-0.0221-0.0055-0.01570.011-0.0060.02430.0801-0.0079-0.00510.27430.031-0.01850.30890.01220.3474-20.8529-56.0933-21.6221
410.0612-0.05910.08010.0593-0.01170.090.21430.217-0.08490.1309-0.26610.0660.4778-0.23590.00550.3443-0.0563-0.05370.5434-0.02880.398-35.4094-63.7068-35.4844
422.30521.12870.09513.8589-0.49431.5502-0.04920.3504-0.2453-0.24550.1045-0.3455-0.0667-0.10590.00960.452-0.0055-0.08250.613-0.05290.5954-33.2734-57.2316-55.4647
431.06160.1588-0.07580.44310.58250.6515-0.06740.7476-0.1821-0.33580.3913-0.07850.842-0.486-0.00430.6577-0.1024-0.0450.8818-0.0910.5614-38.1925-64.3358-60.3566
441.55650.05881.1741.8401-0.48420.9208-0.11770.04460.5210.42860.20090.2054-0.4424-0.3357-0.01380.49970.03630.00470.37820.090.6764-16.1048-32.7129-29.8531
451.6947-0.27451.06310.5426-0.55531.9763-0.0310.15370.29930.05670.04140.0017-0.17250.01020.00220.353-0.0331-0.00630.29460.00650.4417-13.0153-40.4575-28.557
460.5575-0.6831-0.18881.0405-0.39041.7012-0.22260.5848-0.3611-0.36980.11920.19140.2027-0.32580.00070.4992-0.043-0.06340.6471-0.00590.6127-41.8207-50.1125-55.8986
471.25910.70590.23850.7843-0.17790.9570.03270.30120.28160.08280.0154-0.015-0.20430.05160.00110.37940.0179-0.05990.55990.06750.5371-36.1602-42.7252-50.7523
480.4632-0.31990.20371.25680.23650.6680.1443-0.06850.195-0.1617-0.1759-0.2358-0.64610.2015-0.0060.6507-0.11670.01250.4879-0.08970.4647-52.82455.9804-74.9612
490.5752-0.04360.39970.20420.47552.27870.0265-0.06430.02350.04680.0685-0.0796-0.07840.21850.0050.5411-0.07070.02050.4058-0.00630.3853-50.4495-3.1285-70.7137
500.4332-0.02210.13540.22090.50330.94830.26520.02690.2327-0.0995-0.182-0.0193-0.32870.4960.02290.6307-0.16870.01620.7122-0.07270.4636-47.16991.5534-44.571
511.33730.15370.05521.9958-0.21121.97760.0838-0.24510.08980.035-0.0346-0.00150.04640.1932-0.00740.6719-0.13170.04350.6196-0.09330.4515-44.51441.2809-40.8342
520.5976-0.6871-0.19640.64720.02111.4740.1362-0.0364-0.4411-0.0785-0.00150.29990.81750.8652-0.00930.81590.1667-0.07840.8109-0.06090.7653-33.636-18.5221-76.4483
530.6047-0.28630.35780.2679-0.38160.3593-0.0333-0.11630.02420.14020.2323-0.41070.51180.6981-0.02840.4773-0.0330.03010.6702-0.11530.4264-36.3685-7.5096-78.7354
541.2779-0.67740.34480.3987-0.58691.61640.14840.4574-0.2217-0.03020.2897-0.38960.30051.3179-0.00630.59270.01930.0211.0941-0.14540.6105-28.0314-11.5237-81.2804
550.8420.1754-1.08711.0045-0.46771.0770.1541-0.0212-0.2672-0.28810.07930.05980.6556-0.137-0.01380.564-0.07310.01810.5358-0.04710.3986-46.8942-10.6474-87.7587
560.07540.04430.28810.3971-0.05050.5429-0.0184-0.0168-0.16970.0108-0.025-0.31990.5191.0961-0.00040.58860.0029-0.09520.8613-0.05340.5684-30.8264-11.9994-56.3813
570.7920.17070.91410.8233-0.10591.01680.6295-0.69140.88870.54880.36160.59550.74870.0123-0.02690.9296-0.2141-0.07650.9210.04420.7204-46.0266-11.4881-40.0949
581.8692-1.0418-0.58020.49590.19081.67820.0966-0.2062-0.44450.19790.0261-0.07510.52030.55580.01560.8181-0.0271-0.0420.6449-0.00010.5211-41.405-15.7134-47.8259
590.1393-0.16120.05850.5281-0.01260.21140.0346-0.49051.30170.32620.19690.0821-0.59990.1237-0.00550.5549-0.0744-0.03430.4886-0.05490.4046-13.921738.920834.6882
600.4184-0.4307-0.10670.32070.19790.6071-0.3177-0.68330.08720.0522-0.07950.22510.26430.65420.00330.4050.0354-0.02620.5008-0.05630.4423-8.953529.941334.0581
610.72340.2525-0.02180.25160.11730.38470.0375-0.6533-0.13430.8634-0.15110.3901-0.0034-0.11770.00240.6168-0.0890.12290.5627-0.01750.4471-1.3456-3.028752.8817
620.23030.3802-0.07850.5164-0.04560.49120.1680.64520.2251-0.3304-0.2063-0.3438-0.570.17820.00690.5851-0.14370.10140.5539-0.00950.39857.8611.446251.0953
630.314-0.146-0.06250.05540.01210.17720.39330.0102-0.08780.689-0.4024-0.70430.53460.37020.00260.40370.0852-0.05040.4676-0.00170.55266.902417.6287-6.189
640.50750.2250.04070.1228-0.06170.09440.1203-0.1736-0.06690.25780.02060.25930.2861-0.3221-0.00810.40510.0471-0.05580.43190.0440.4953-2.635717.0696-1.9015
650.563-0.3819-0.23360.24290.01180.68180.20850.176-0.1569-0.0078-0.6144-0.73941.10130.70870.0040.5929-0.008-0.01320.56080.03930.459313.7092-41.6861-48.4242
661.53810.12240.44440.15650.03281.10540.201-0.33890.0366-0.4809-0.58660.95080.457-0.9420.00980.5458-0.0354-0.02050.68670.0340.44385.0097-37.9958-44.5754
670.1479-0.07250.04010.402-0.22760.1553-0.5162-0.12411.0819-0.15350.04680.0787-0.28230.71060.00070.4119-0.0733-0.0220.4595-0.07830.4828-2.9996-43.1834-8.4849
680.49260.03250.21241.0954-0.19380.8902-0.70640.3302-0.4744-0.05540.0791-0.54930.49910.54960.00840.423-0.0177-0.02480.4664-0.05370.4826-2.2836-53.4364-8.3313
690.3454-0.4329-0.00920.64750.05260.7493-0.11490.1758-0.4117-0.5078-0.089-0.29480.73130.50830.00120.7064-0.04480.05410.7529-0.08720.4621-40.7664-7.7963-100.3177
700.05880.13470.08931.02350.23620.75380.1233-0.16471.02060.1275-0.3225-0.1647-0.82140.41570.00020.7234-0.06050.03770.5954-0.01360.4159-44.59511.8513-99.7836
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'D' and (resid 1 through 115 )D1 - 115
2X-RAY DIFFRACTION2chain 'D' and (resid 116 through 152 )D116 - 152
3X-RAY DIFFRACTION3chain 'D' and (resid 153 through 214 )D153 - 214
4X-RAY DIFFRACTION4chain 'E' and (resid 220 through 355 )E220 - 355
5X-RAY DIFFRACTION5chain 'E' and (resid 356 through 370 )E356 - 370
6X-RAY DIFFRACTION6chain 'E' and (resid 371 through 449 )E371 - 449
7X-RAY DIFFRACTION7chain 'A' and (resid 1 through 25 )A1 - 25
8X-RAY DIFFRACTION8chain 'A' and (resid 26 through 115 )A26 - 115
9X-RAY DIFFRACTION9chain 'A' and (resid 116 through 130 )A116 - 130
10X-RAY DIFFRACTION10chain 'A' and (resid 131 through 152 )A131 - 152
11X-RAY DIFFRACTION11chain 'A' and (resid 153 through 174 )A153 - 174
12X-RAY DIFFRACTION12chain 'A' and (resid 175 through 189 )A175 - 189
13X-RAY DIFFRACTION13chain 'A' and (resid 190 through 200 )A190 - 200
14X-RAY DIFFRACTION14chain 'A' and (resid 201 through 214 )A201 - 214
15X-RAY DIFFRACTION15chain 'B' and (resid 220 through 236 )B220 - 236
16X-RAY DIFFRACTION16chain 'B' and (resid 237 through 319 )B237 - 319
17X-RAY DIFFRACTION17chain 'B' and (resid 320 through 333 )B320 - 333
18X-RAY DIFFRACTION18chain 'B' and (resid 334 through 370 )B334 - 370
19X-RAY DIFFRACTION19chain 'B' and (resid 371 through 393 )B371 - 393
20X-RAY DIFFRACTION20chain 'B' and (resid 394 through 424 )B394 - 424
21X-RAY DIFFRACTION21chain 'B' and (resid 425 through 451 )B425 - 451
22X-RAY DIFFRACTION22chain 'C' and (resid 1 through 25 )C1 - 25
23X-RAY DIFFRACTION23chain 'C' and (resid 26 through 103 )C26 - 103
24X-RAY DIFFRACTION24chain 'C' and (resid 104 through 115 )C104 - 115
25X-RAY DIFFRACTION25chain 'C' and (resid 116 through 130 )C116 - 130
26X-RAY DIFFRACTION26chain 'C' and (resid 131 through 152 )C131 - 152
27X-RAY DIFFRACTION27chain 'C' and (resid 153 through 174 )C153 - 174
28X-RAY DIFFRACTION28chain 'C' and (resid 175 through 189 )C175 - 189
29X-RAY DIFFRACTION29chain 'C' and (resid 190 through 200 )C190 - 200
30X-RAY DIFFRACTION30chain 'C' and (resid 201 through 214 )C201 - 214
31X-RAY DIFFRACTION31chain 'F' and (resid 220 through 333 )F220 - 333
32X-RAY DIFFRACTION32chain 'F' and (resid 334 through 370 )F334 - 370
33X-RAY DIFFRACTION33chain 'F' and (resid 371 through 450 )F371 - 450
34X-RAY DIFFRACTION34chain 'G' and (resid 1 through 25 )G1 - 25
35X-RAY DIFFRACTION35chain 'G' and (resid 26 through 115 )G26 - 115
36X-RAY DIFFRACTION36chain 'G' and (resid 116 through 152 )G116 - 152
37X-RAY DIFFRACTION37chain 'G' and (resid 153 through 214 )G153 - 214
38X-RAY DIFFRACTION38chain 'H' and (resid 220 through 355 )H220 - 355
39X-RAY DIFFRACTION39chain 'H' and (resid 356 through 450 )H356 - 450
40X-RAY DIFFRACTION40chain 'I' and (resid 1 through 103 )I1 - 103
41X-RAY DIFFRACTION41chain 'I' and (resid 104 through 115 )I104 - 115
42X-RAY DIFFRACTION42chain 'I' and (resid 116 through 189 )I116 - 189
43X-RAY DIFFRACTION43chain 'I' and (resid 190 through 214 )I190 - 214
44X-RAY DIFFRACTION44chain 'J' and (resid 220 through 250 )J220 - 250
45X-RAY DIFFRACTION45chain 'J' and (resid 251 through 360 )J251 - 360
46X-RAY DIFFRACTION46chain 'J' and (resid 361 through 381 )J361 - 381
47X-RAY DIFFRACTION47chain 'J' and (resid 382 through 449 )J382 - 449
48X-RAY DIFFRACTION48chain 'K' and (resid 1 through 25 )K1 - 25
49X-RAY DIFFRACTION49chain 'K' and (resid 26 through 130 )K26 - 130
50X-RAY DIFFRACTION50chain 'K' and (resid 131 through 152 )K131 - 152
51X-RAY DIFFRACTION51chain 'K' and (resid 153 through 214 )K153 - 214
52X-RAY DIFFRACTION52chain 'L' and (resid 220 through 250 )L220 - 250
53X-RAY DIFFRACTION53chain 'L' and (resid 251 through 271 )L251 - 271
54X-RAY DIFFRACTION54chain 'L' and (resid 272 through 310 )L272 - 310
55X-RAY DIFFRACTION55chain 'L' and (resid 311 through 339 )L311 - 339
56X-RAY DIFFRACTION56chain 'L' and (resid 340 through 360 )L340 - 360
57X-RAY DIFFRACTION57chain 'L' and (resid 361 through 381 )L361 - 381
58X-RAY DIFFRACTION58chain 'L' and (resid 382 through 451 )L382 - 451
59X-RAY DIFFRACTION59chain 'M' and (resid 1 through 11 )M1 - 11
60X-RAY DIFFRACTION60chain 'M' and (resid 12 through 23 )M12 - 23
61X-RAY DIFFRACTION61chain 'N' and (resid 1 through 11 )N1 - 11
62X-RAY DIFFRACTION62chain 'N' and (resid 12 through 23 )N12 - 23
63X-RAY DIFFRACTION63chain 'O' and (resid 1 through 11 )O1 - 11
64X-RAY DIFFRACTION64chain 'O' and (resid 12 through 23 )O12 - 23
65X-RAY DIFFRACTION65chain 'P' and (resid 1 through 11 )P1 - 11
66X-RAY DIFFRACTION66chain 'P' and (resid 12 through 23 )P12 - 23
67X-RAY DIFFRACTION67chain 'Q' and (resid 1 through 11 )Q1 - 11
68X-RAY DIFFRACTION68chain 'Q' and (resid 12 through 23 )Q12 - 23
69X-RAY DIFFRACTION69chain 'R' and (resid 1 through 11 )R1 - 11
70X-RAY DIFFRACTION70chain 'R' and (resid 12 through 23 )R12 - 23

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