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- PDB-6p2a: Chimera of bacteriophage OBP gp146 central spike protein and a T4... -

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Basic information

Entry
Database: PDB / ID: 6p2a
TitleChimera of bacteriophage OBP gp146 central spike protein and a T4 gp5 beta-helix fragment
ComponentsCHIMERA OF BACTERIOPHAGE OBP GP146 AND A T4 GP5
KeywordsVIRAL PROTEIN / Bacteriophage OBP / membrane piercing / central spike / cell puncturing device / beta helix / T4 gp5 / contractile injection system
Function / homology
Function and homology information


symbiont entry into host cell via disruption of host cell wall peptidoglycan / virus tail, baseplate / viral tail assembly / symbiont entry into host cell via disruption of host cell envelope / virus tail / symbiont entry into host / peptidoglycan catabolic process / cell wall macromolecule catabolic process / lysozyme / lysozyme activity ...symbiont entry into host cell via disruption of host cell wall peptidoglycan / virus tail, baseplate / viral tail assembly / symbiont entry into host cell via disruption of host cell envelope / virus tail / symbiont entry into host / peptidoglycan catabolic process / cell wall macromolecule catabolic process / lysozyme / lysozyme activity / killing of cells of another organism / defense response to bacterium / symbiont entry into host cell / identical protein binding
Similarity search - Function
GpV, apex motif / GpV Apex motif / Protein Gp5, N-terminal OB-fold domain / Gp5, C-terminal / Pre-baseplate central spike protein Gp5 / Gp5 N-terminal OB domain / Gp5 C-terminal repeat (3 copies) / T4-type lysozyme / Glycoside hydrolase, family 24 / Lysozyme domain superfamily ...GpV, apex motif / GpV Apex motif / Protein Gp5, N-terminal OB-fold domain / Gp5, C-terminal / Pre-baseplate central spike protein Gp5 / Gp5 N-terminal OB domain / Gp5 C-terminal repeat (3 copies) / T4-type lysozyme / Glycoside hydrolase, family 24 / Lysozyme domain superfamily / Phage lysozyme / Lysozyme-like domain superfamily
Similarity search - Domain/homology
9-OCTADECENOIC ACID / : / PALMITIC ACID / STEARIC ACID / Putative phage baseplate assembly protein / Pre-baseplate central spike protein Gp5
Similarity search - Component
Biological speciesEnterobacteria phage T4 (virus)
Pseudomonas phage OBP (virus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.9 Å
AuthorsButh, S.A. / Shneider, M.M. / Leiman, P.G.
Funding support Switzerland, 1items
OrganizationGrant numberCountry
Swiss National Science Foundation310030_144243 Switzerland
Citation
Journal: To Be Published
Title: Chimera of bacteriophage OBP gp146 central spike protein and a T4 gp5 beta-helix fragment
Authors: Buth, S.A. / Shneider, M.M. / Leiman, P.G.
#1: Journal: Nature / Year: 2013
Title: PAAR-repeat proteins sharpen and diversify the type VI secretion system spike.
Authors: Shneider, M.M. / Buth, S.A. / Ho, B.T. / Basler, M. / Mekalanos, J.J. / Leiman, P.G.
#2: Journal: Viruses / Year: 2015
Title: Structure and Biophysical Properties of a Triple-Stranded Beta-Helix Comprising the Central Spike of Bacteriophage T4.
Authors: Buth, S.A. / Menin, L. / Shneider, M.M. / Engel, J. / Boudko, S.P. / Leiman, P.G.
History
DepositionMay 21, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 27, 2020Provider: repository / Type: Initial release
Revision 1.1Oct 11, 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 / citation / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn
Item: _citation.country / _database_2.pdbx_DOI ..._citation.country / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: CHIMERA OF BACTERIOPHAGE OBP GP146 AND A T4 GP5
B: CHIMERA OF BACTERIOPHAGE OBP GP146 AND A T4 GP5
C: CHIMERA OF BACTERIOPHAGE OBP GP146 AND A T4 GP5
D: CHIMERA OF BACTERIOPHAGE OBP GP146 AND A T4 GP5
E: CHIMERA OF BACTERIOPHAGE OBP GP146 AND A T4 GP5
F: CHIMERA OF BACTERIOPHAGE OBP GP146 AND A T4 GP5
hetero molecules


Theoretical massNumber of molelcules
Total (without water)92,93716
Polymers91,1306
Non-polymers1,80710
Water21,5821198
1
A: CHIMERA OF BACTERIOPHAGE OBP GP146 AND A T4 GP5
B: CHIMERA OF BACTERIOPHAGE OBP GP146 AND A T4 GP5
C: CHIMERA OF BACTERIOPHAGE OBP GP146 AND A T4 GP5
hetero molecules


Theoretical massNumber of molelcules
Total (without water)46,4698
Polymers45,5653
Non-polymers9045
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area36050 Å2
ΔGint-95 kcal/mol
Surface area16780 Å2
MethodPISA
2
D: CHIMERA OF BACTERIOPHAGE OBP GP146 AND A T4 GP5
E: CHIMERA OF BACTERIOPHAGE OBP GP146 AND A T4 GP5
F: CHIMERA OF BACTERIOPHAGE OBP GP146 AND A T4 GP5
hetero molecules


Theoretical massNumber of molelcules
Total (without water)46,4698
Polymers45,5653
Non-polymers9045
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area36320 Å2
ΔGint-96 kcal/mol
Surface area16600 Å2
MethodPISA
Unit cell
Length a, b, c (Å)140.013, 140.013, 63.161
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number78
Space group name H-MP43

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Components

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Protein , 1 types, 6 molecules ABCDEF

#1: Protein
CHIMERA OF BACTERIOPHAGE OBP GP146 AND A T4 GP5 / Peptidoglycan hydrolase gp5 / Protein Gp5


Mass: 15188.354 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Enterobacteria phage T4 (virus), (gene. exp.) Pseudomonas phage OBP (virus)
Plasmid: PEEVA2 / Gene: 5, OBP_146 / Details (production host): a PET-23A DERIVATIVE / Production host: Escherichia coli (E. coli) / Variant (production host): B834 / References: UniProt: P16009, UniProt: G9IA38, lysozyme

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Non-polymers , 6 types, 1208 molecules

#2: Chemical ChemComp-FE2 / FE (II) ION


Mass: 55.845 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Fe
#3: Chemical ChemComp-STE / STEARIC ACID


Mass: 284.477 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C18H36O2
#4: Chemical ChemComp-ELA / 9-OCTADECENOIC ACID


Mass: 282.461 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C18H34O2
#5: Chemical ChemComp-PLM / PALMITIC ACID


Mass: 256.424 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C16H32O2
#6: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 1198 / Source method: isolated from a natural source / Formula: H2O

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Details

Sequence detailsT4 GP5 BETA HELIX FRAGMENT GP5G484-S559 EXTENDED BY A K259-A326 C-TERMINAL FRAGMENT FROM OBP GP146

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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: 3.4 Å3/Da / Density % sol: 63.79 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6 / Details: PEG3350 18-20% 100 mM Ammonium citrate / PH range: 6

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 3, 2013 / Details: DYNAMICALLY BENDABLE MIRROR
RadiationMonochromator: SI(111) MONOCHROMATOR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 1.9→49.502 Å / Num. obs: 193033 / % possible obs: 99.96 % / Redundancy: 6.8 % / Biso Wilson estimate: 19.72 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.02825 / Rpim(I) all: 0.02825 / Rrim(I) all: 0.03996 / Net I/σ(I): 19.65
Reflection shellResolution: 1.9→1.968 Å / Redundancy: 6.3 % / Rmerge(I) obs: 0.175 / Mean I/σ(I) obs: 4.43 / Num. unique obs: 19193 / CC1/2: 0.922 / Rpim(I) all: 0.175 / Rrim(I) all: 0.2475 / % possible all: 99.98

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Processing

Software
NameVersionClassification
PHENIX(1.14_3260: ???)refinement
XDSMarch 30, 2013data reduction
XDSMarch 30, 2013data scaling
PHASER2.5.2phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4JJ2

4jj2


Resolution: 1.9→49.502 Å / SU ML: 0.15 / Cross valid method: FREE R-VALUE / σ(F): 1.93 / Phase error: 13.92
RfactorNum. reflection% reflection
Rfree0.1579 9454 5 %
Rwork0.1266 --
obs0.1282 188939 99.96 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 29.55 Å2
Refinement stepCycle: LAST / Resolution: 1.9→49.502 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6328 0 120 1198 7646
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0137228
X-RAY DIFFRACTIONf_angle_d1.1429841
X-RAY DIFFRACTIONf_dihedral_angle_d11.0444193
X-RAY DIFFRACTIONf_chiral_restr0.0761052
X-RAY DIFFRACTIONf_plane_restr0.0081346
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.9-1.92160.24083120.23065982X-RAY DIFFRACTION100
1.9216-1.94420.22083160.19826029X-RAY DIFFRACTION100
1.9442-1.96790.18063150.16555967X-RAY DIFFRACTION100
1.9679-1.99280.18063120.15425908X-RAY DIFFRACTION100
1.9928-2.01910.18983180.14266029X-RAY DIFFRACTION100
2.0191-2.04670.15883130.13246006X-RAY DIFFRACTION100
2.0467-2.0760.17733110.13275955X-RAY DIFFRACTION100
2.076-2.1070.18633180.13696030X-RAY DIFFRACTION100
2.107-2.13990.16523150.13825950X-RAY DIFFRACTION100
2.1399-2.1750.16853220.12735978X-RAY DIFFRACTION100
2.175-2.21250.15923090.11915917X-RAY DIFFRACTION100
2.2125-2.25270.15643210.11716053X-RAY DIFFRACTION100
2.2527-2.2960.14883180.10995993X-RAY DIFFRACTION100
2.296-2.34290.13383140.1065932X-RAY DIFFRACTION100
2.3429-2.39380.14543120.10635966X-RAY DIFFRACTION100
2.3938-2.44950.15423220.11366064X-RAY DIFFRACTION100
2.4495-2.51080.16223110.12125952X-RAY DIFFRACTION100
2.5108-2.57870.15313140.11515944X-RAY DIFFRACTION100
2.5787-2.65450.1533210.1166036X-RAY DIFFRACTION100
2.6545-2.74020.16173200.12186026X-RAY DIFFRACTION100
2.7402-2.83810.16743110.11735909X-RAY DIFFRACTION100
2.8381-2.95180.13923170.10976010X-RAY DIFFRACTION100
2.9518-3.08610.15033140.11295983X-RAY DIFFRACTION100
3.0861-3.24880.15173180.11435990X-RAY DIFFRACTION100
3.2488-3.45220.143140.11295957X-RAY DIFFRACTION100
3.4522-3.71870.13653170.1096021X-RAY DIFFRACTION100
3.7187-4.09280.15143140.12125947X-RAY DIFFRACTION100
4.0928-4.68460.11763130.10045983X-RAY DIFFRACTION100
4.6846-5.90060.14583110.13316021X-RAY DIFFRACTION100
5.9006-49.51890.24333110.21755947X-RAY DIFFRACTION100
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)
100.001-0.0010.0204-0.02240.025-0.06210.0008-0.019-0.0045-0.0015-0.02640.0532-0.0339-0.09120.39610.1098-0.08670.3373-0.22250.4818-37.04158.623731.1589
20.1099-0.05420.03050.1376-0.02050.00880.0230.01120.0205-0.01020.001-0.04030.02050.00440.09090.46580.11580.10020.3565-0.18010.3645-29.485124.169426.2484
30.0134-0.0134-0.01360.0630.01680.01360.00650.0202-0.0142-0.0741-0.01560.0233-0.0222-0.02880.00130.31020.0861-0.06530.3028-0.23040.3918-46.484621.861629.9578
40.0599-0.00270.00780.0069-0.01760.04690.09320.01080.0244-0.04950.0235-0.0291-0.10640.03660.08460.31690.10820.00710.2412-0.15080.3008-33.866525.983241.0963
50.00480.0066-0.00360.0246-0.00950.01180.03710.0099-0.0336-0.1589-0.05250.0629-0.02390.0168-0.02170.31510.09-0.02140.3286-0.16670.3469-43.405836.541432.7742
60.00760.00630.00510.00480.00420.0034-0.02830.0407-0.0934-0.00260.01250.12990.0306-0.05630.01290.21990.055-0.030.2236-0.12140.3088-46.013431.415947.7644
70.0097-0.00780.00880.017-0.00210.01510.065-0.0015-0.0391-0.05750.0062-0.0484-0.0520.00940.01660.20280.03720.01160.2105-0.07320.2312-40.046245.504943.828
80.0056-0.0043-0.00170.00420.00390.0083-0.0202-0.0025-0.0818-0.0195-0.08740.05260.017-0.0453-0.02870.23030.0697-0.01690.2358-0.10550.3068-53.262643.233550.3913
90.0467-0.03620.01240.09010.00180.0570.0125-0.0241-0.09220.03150.0243-0.04510.06390.04680.14690.11260.0217-0.00030.1261-0.04460.1201-52.877659.665761.2622
100.1321-0.0025-0.00010.0353-0.00380.0409-0.0034-0.11720.10530.03490.0439-0.087-0.09520.05280.03130.1338-0.0065-0.01280.1352-0.03640.0975-60.864278.218680.6825
110.03490.0085-0.03860.0054-0.01630.057-0.0020.0214-0.0156-0.02130.00240.00090.02050.0074-0.04360.60390.04970.04250.3689-0.24540.3915-40.04817.451118.6706
120.00510.0003-0.00610.0004-0.00050.007-0.0070.0052-0.0123-0.0222-0.01750.04180.0261-0.0052-0.06490.27640.0966-0.04870.2802-0.19320.3677-36.000913.967135.3817
130.0085-0.01360.01640.0228-0.02680.03170.00980.0226-0.0136-0.0725-0.0168-0.04080.03340.0299-0.06140.41820.12990.05030.3723-0.16590.3358-33.424829.420127.383
140.009-0.00070.00020.0031-0.00280.0032-0.00510.0194-0.0124-0.0395-0.02310.05660.0046-0.0234-0.06840.30440.0911-0.07330.2573-0.18960.3569-47.381124.22636.3276
150.026-0.00620.02520.0014-0.00570.02960.07970.0219-0.0612-0.02550.0384-0.0441-0.01910.04770.0750.24980.05920.01550.236-0.0940.2904-34.803931.131643.1117
160.0305-0.04190.0430.0911-0.09940.10940.0690.0281-0.0272-0.1251-0.02450.0537-0.0372-0.01010.02990.25620.0738-0.0340.27-0.15310.2779-48.369138.92137.5818
170.0058-0.0049-0.00320.00610.00510.0041-0.0048-0.0021-0.03250.03960.01270.03580.05050.03370.00630.2080.0605-0.00930.1853-0.08570.2557-43.996436.862952.4389
180.00760.0035-0.01470.0011-0.00620.02740.00820.0071-0.0043-0.0722-0.02720.0201-0.0071-0.0137-0.09810.15120.04790.00660.1701-0.11750.1898-45.160350.041245.5943
190.05220.00020.01970.060.05490.05320.01980.0479-0.0385-0.01170.0096-0.01860.01260.04270.02890.10380.0206-0.00150.1132-0.04010.1097-52.621459.506261.5653
200.0943-0.01480.02150.08130.00240.08830.0285-0.04990.08430.04090.04390.0153-0.0183-0.03140.1750.10960.0015-0.00080.1052-0.02830.1009-64.236179.874576.8969
210.0078-0.0219-0.04540.33160.10280.26150.05790.0922-0.0544-0.2202-0.0361-0.04540.02310.0212-0.0390.42420.1531-0.02120.3339-0.23010.4157-34.714618.305129.4969
220.01760.0030.01420.0259-0.00480.0137-0.01790.0173-0.017-0.0932-0.03290.048-0.0119-0.0428-0.07950.36670.08730.01180.2903-0.15570.2757-36.653533.275529.7883
230.0169-0.0121-0.00170.0101-0.00410.0147-0.01640.0219-0.0276-0.0171-0.04320.08560.0233-0.0521-0.12150.2620.0812-0.06680.2558-0.16830.364-47.960227.399940.9289
240.0023-0.0004-0.00150.0141-0.02390.06830.0544-0.0037-0.0009-0.0050.0633-0.0447-0.040.07350.03410.2340.07940.02810.2278-0.08750.2746-35.529338.416943.6295
250.0090.0044-0.00940.007-0.00280.01130.02070.0234-0.0542-0.1274-0.07340.0973-0.0363-0.0341-0.0180.19650.0628-0.03010.2331-0.12680.2792-51.365641.47742.0679
260.0205-0.0032-0.01930.00480.01540.0517-0.011-0.0078-0.0183-0.02120.0193-0.03340.03080.03810.04220.16890.05230.00660.1517-0.10010.2206-48.616447.278953.9002
270.04650.032-0.02160.03570.00420.03330.0255-0.0018-0.07550.04280.0029-0.10580.04610.1116-00.12960.0182-0.00660.1527-0.02730.1486-52.478461.371365.1578
280.00930.0031-0.00650.0085-0.00150.004-0.00380.05320.0658-0.06630.0235-0.0488-0.08250.0455-00.1274-0.0174-0.00030.1178-0.02350.1287-57.098580.875172.1473
290.032-0.0317-0.05350.03160.05050.10220.0104-0.12030.09160.06470.0635-0.0215-0.04110.05350.05840.16260.00290.00030.17-0.04170.1366-63.724883.145484.0903
300.0084-0.0053-0.00350.0050.00080.0021-0.0227-0.04230.0526-0.00660.01740.0037-0.0186-0.01600.4220.1237-0.01750.3425-0.13490.5004-35.902959.379268.4572
310.0139-0.00130.01250.0144-0.00330.01120.023-0.04140.03660.04150.0273-0.03470.01670.0670.02730.52440.175-0.06070.4439-0.24140.4501-18.877158.516572.1293
320.0147-0.00270.01180.0207-0.00680.0107-0.0151-0.02890.00580.03370.01550.00220.0186-0.00770.0160.42330.14830.14680.3158-0.05790.3034-29.043544.823969.0815
330.01510.03660.00040.08990.00680.05350.0517-0.01910.04450.02920.02690.0108-0.04360.04270.20.32380.12060.00040.2542-0.14820.3072-19.73953.663957.5239
340.0225-0.00230.02060.00180.0020.0292-0.1491-0.1162-0.00180.1420.0799-0.00160.00320.0268-0.03590.37090.13220.02820.3531-0.10290.304-13.941141.441765.8955
350.0057-0.0018-0.00590.00160.00160.0055-0.0906-0.06730.01880.0404-0.00680.090.0035-0.0308-00.27420.06010.05170.2197-0.04710.3025-20.92340.634150.7925
360.0063-0.0002-0.00740.0040.00210.0091-0.0658-0.06590.07160.0570.0692-0.00730.0170.0652-0.0050.19060.056-0.02830.2434-0.11260.2738-5.88438.510154.4286
370.04540.0142-0.04820.0444-0.02960.0559-0.122-0.0202-0.00010.10280.01470.1015-0.0165-0.0244-0.16290.18650.02250.02350.1594-0.050.2059-8.714329.015346.1227
380.0244-0.02860.01850.0358-0.02290.0138-0.0052-0.0030.0420.0149-0.00130.0654-0.02230.006100.1335-0.00380.01310.1242-0.01210.1273-1.027716.755833.8679
390.023-0.0079-0.03420.00890.01560.0501-0.0283-0.0330.0474-0.10060.0434-0.1059-0.0570.0996-00.1417-0.00440.02810.14550.00970.131211.89083.461417.3862
400.07190.02140.03640.01010.00440.02840.0410.01370.0464-0.0127-0.0003-0.0201-0.0319-0.04880.05770.60810.21750.12730.6293-0.15960.3921-29.128552.398180.61
410.0072-0.0038-0.00640.0020.00320.0051-0.1109-0.01630.07230.06-0.01220.0039-0.0232-0.0469-0.00010.37220.09170.04720.2858-0.09460.4337-30.516958.546363.1249
420.0102-0.0128-0.00330.01790.00680.0073-0.0423-0.06050.06090.02870.0126-0.01350.00550.00040.01270.43890.1561-0.09240.4331-0.21120.3419-16.004452.44971.1223
430.011-0.00770.00780.03940.01070.0129-0.051-0.0474-0.03530.0346-0.00220.03990.0088-0.0239-0.11230.3380.13380.09850.2729-0.06320.2796-27.670242.748862.7603
440.08340.0994-0.10970.1185-0.13050.14430.0683-0.01550.07570.01830.0944-0.0607-0.03380.04920.11480.23520.0776-0.04570.2502-0.13260.3165-15.744750.277355.4261
450.13120.04310.07920.01740.00540.182-0.086-0.1262-0.04250.10820.07080.00720.02640.0784-0.04860.25010.09090.06490.2481-0.0730.195-15.510234.624761.0829
460.0022-0.0032-0.00290.00450.00380.00470.00430.0225-0.0031-0.03660.0168-0.0423-0.023-0.015700.23340.03160.00160.1811-0.04630.2302-15.602939.350646.1864
470.02160.00840.02550.0395-0.04080.101-0.1338-0.08940.04050.09710.0442-0.04330.03630.0349-0.01140.2340.04790.02710.2308-0.06530.2978-4.687831.251452.5915
480.03160.0653-0.03310.227-0.17980.31020.0011-0.02410.01440.0469-0.0343-0.02470.00260.0201-0.10240.0881-0.0083-0.00620.0839-0.02540.0961-0.776721.330736.9957
490.00480.00970.01390.02870.02140.0409-0.0218-0.0103-0.019-0.06820.0311-0.03920.02060.0217-00.11960.00860.0230.1240.00160.116511.3720.128421.5155
500.01250.0083-0.00490.0056-0.00320.00210.038-0.04190.03730.07640.01950.0140.01790.07320.07930.61840.1911-0.04620.5128-0.2830.5404-23.077764.603272.6625
510.0746-0.03350.03410.0169-0.01240.0196-0.002-0.0560.04750.06220.0415-0.0221-0.0047-0.00940.04090.54180.21860.13060.5133-0.08640.3632-29.871347.668275.2317
520.0038-0.0053-0.00070.0179-0.00260.02050.0172-0.03230.01740.01050.07170.00510.04240.02680.02570.39170.09810.00320.2667-0.11720.3732-25.697456.267459.7283
530.1006-0.04270.02460.0194-0.00640.0192-0.1427-0.0934-0.01960.11320.0658-0.01920.06550.034-0.07170.39230.1487-0.00170.3618-0.16460.2928-15.020946.039468.9465
540.0118-0.00610.00490.02840.01630.0239-0.1115-0.0058-0.05630.0544-0.00820.10510.0318-0.0136-0.04950.33140.06910.08360.2708-0.04440.2886-25.151841.496656.6906
550.05280.0173-0.01090.0929-0.11090.13450.0118-0.00990.0456-0.02280.1105-0.047-0.01730.08440.05810.26570.0497-0.05690.2041-0.11430.269-9.571244.943755.1124
560.036-0.01250.00460.00980.00690.013-0.1317-0.0611-0.04650.08670.05640.08480.05860.037-0.0340.23380.05740.05750.1704-0.05190.227-15.758730.421655.3103
570.00340.00040.00230.00320.00210.00250.05350.00170.03890.0038-0.0041-0.037-0.0725-0.0258-00.2160.0165-0.01610.1977-0.06330.2566-8.980737.003743.4774
580.1086-0.03640.10030.0361-0.01060.117-0.0492-0.00070.1171-0.0172-0.00750.0262-0.04540.0532-0.02950.13740.00650.00090.1193-0.0210.1444-1.458520.289636.741
590.0178-0.00820.00820.0277-0.00330.00340.0094-0.0445-0.0344-0.0720.019-0.07580.00130.096-00.1299-0.00810.02380.1521-0.00260.12815.10712.702820.746
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 483 through 492 )
2X-RAY DIFFRACTION2chain 'A' and (resid 493 through 502 )
3X-RAY DIFFRACTION3chain 'A' and (resid 503 through 512 )
4X-RAY DIFFRACTION4chain 'A' and (resid 513 through 522 )
5X-RAY DIFFRACTION5chain 'A' and (resid 523 through 532 )
6X-RAY DIFFRACTION6chain 'A' and (resid 533 through 542 )
7X-RAY DIFFRACTION7chain 'A' and (resid 543 through 552 )
8X-RAY DIFFRACTION8chain 'A' and (resid 553 through 562 )
9X-RAY DIFFRACTION9chain 'A' and (resid 563 through 602 )
10X-RAY DIFFRACTION10chain 'A' and (resid 603 through 627 )
11X-RAY DIFFRACTION11chain 'B' and (resid 483 through 492 )
12X-RAY DIFFRACTION12chain 'B' and (resid 493 through 502 )
13X-RAY DIFFRACTION13chain 'B' and (resid 503 through 512 )
14X-RAY DIFFRACTION14chain 'B' and (resid 513 through 522 )
15X-RAY DIFFRACTION15chain 'B' and (resid 523 through 532 )
16X-RAY DIFFRACTION16chain 'B' and (resid 533 through 542 )
17X-RAY DIFFRACTION17chain 'B' and (resid 543 through 552 )
18X-RAY DIFFRACTION18chain 'B' and (resid 553 through 562 )
19X-RAY DIFFRACTION19chain 'B' and (resid 563 through 602 )
20X-RAY DIFFRACTION20chain 'B' and (resid 603 through 627 )
21X-RAY DIFFRACTION21chain 'C' and (resid 482 through 511 )
22X-RAY DIFFRACTION22chain 'C' and (resid 512 through 521 )
23X-RAY DIFFRACTION23chain 'C' and (resid 522 through 531 )
24X-RAY DIFFRACTION24chain 'C' and (resid 532 through 541 )
25X-RAY DIFFRACTION25chain 'C' and (resid 542 through 551 )
26X-RAY DIFFRACTION26chain 'C' and (resid 552 through 571 )
27X-RAY DIFFRACTION27chain 'C' and (resid 572 through 601 )
28X-RAY DIFFRACTION28chain 'C' and (resid 602 through 614 )
29X-RAY DIFFRACTION29chain 'C' and (resid 615 through 627 )
30X-RAY DIFFRACTION30chain 'D' and (resid 483 through 492 )
31X-RAY DIFFRACTION31chain 'D' and (resid 493 through 502 )
32X-RAY DIFFRACTION32chain 'D' and (resid 503 through 512 )
33X-RAY DIFFRACTION33chain 'D' and (resid 513 through 522 )
34X-RAY DIFFRACTION34chain 'D' and (resid 523 through 532 )
35X-RAY DIFFRACTION35chain 'D' and (resid 533 through 542 )
36X-RAY DIFFRACTION36chain 'D' and (resid 543 through 552 )
37X-RAY DIFFRACTION37chain 'D' and (resid 553 through 572 )
38X-RAY DIFFRACTION38chain 'D' and (resid 573 through 602 )
39X-RAY DIFFRACTION39chain 'D' and (resid 603 through 627 )
40X-RAY DIFFRACTION40chain 'E' and (resid 483 through 492 )
41X-RAY DIFFRACTION41chain 'E' and (resid 493 through 502 )
42X-RAY DIFFRACTION42chain 'E' and (resid 503 through 512 )
43X-RAY DIFFRACTION43chain 'E' and (resid 513 through 522 )
44X-RAY DIFFRACTION44chain 'E' and (resid 523 through 532 )
45X-RAY DIFFRACTION45chain 'E' and (resid 533 through 542 )
46X-RAY DIFFRACTION46chain 'E' and (resid 543 through 552 )
47X-RAY DIFFRACTION47chain 'E' and (resid 553 through 562 )
48X-RAY DIFFRACTION48chain 'E' and (resid 563 through 602 )
49X-RAY DIFFRACTION49chain 'E' and (resid 603 through 627 )
50X-RAY DIFFRACTION50chain 'F' and (resid 483 through 492 )
51X-RAY DIFFRACTION51chain 'F' and (resid 493 through 502 )
52X-RAY DIFFRACTION52chain 'F' and (resid 503 through 512 )
53X-RAY DIFFRACTION53chain 'F' and (resid 513 through 522 )
54X-RAY DIFFRACTION54chain 'F' and (resid 523 through 532 )
55X-RAY DIFFRACTION55chain 'F' and (resid 533 through 542 )
56X-RAY DIFFRACTION56chain 'F' and (resid 543 through 552 )
57X-RAY DIFFRACTION57chain 'F' and (resid 553 through 562 )
58X-RAY DIFFRACTION58chain 'F' and (resid 563 through 602 )
59X-RAY DIFFRACTION59chain 'F' and (resid 603 through 627 )

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