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- PDB-6txi: Crystal structure of thermotoga maritima E65A Ferritin -

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Basic information

Entry
Database: PDB / ID: 6txi
TitleCrystal structure of thermotoga maritima E65A Ferritin
ComponentsFerritin
KeywordsMETAL BINDING PROTEIN / Metal binding / engineered protein
Function / homology
Function and homology information


bacterial non-heme ferritin / intracellular sequestering of iron ion / ferroxidase activity / ferric iron binding / ferrous iron binding / iron ion transport / cytoplasm / cytosol
Similarity search - Function
Ferritin, prokaryotic-type / Ferritin / Ferritin-like diiron domain / Ferritin-like diiron domain profile. / Ferritin/DPS protein domain / Ferritin-like domain / Ferritin-like / Ferritin-like superfamily
Similarity search - Domain/homology
: / EICOSANE / Ferritin
Similarity search - Component
Biological speciesThermotoga maritima MSB8 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.759 Å
AuthorsWilk, P. / Grudnik, P. / Kumar, M. / Heddle, J. / Chakraborti, S.
Funding support Poland, 1items
OrganizationGrant numberCountry
Foundation for Polish ScienceHoming/2017-3/22 Poland
CitationJournal: Nanoscale / Year: 2021
Title: A single residue can modulate nanocage assembly in salt dependent ferritin.
Authors: Kumar, M. / Markiewicz-Mizera, J. / Janna Olmos, J.D. / Wilk, P. / Grudnik, P. / Biela, A.P. / Jemiola-Rzeminska, M. / Gorecki, A. / Chakraborti, S. / Heddle, J.G.
History
DepositionJan 14, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jul 28, 2021Provider: repository / Type: Initial release
Revision 1.1Aug 10, 2022Group: Database references / Category: citation / citation_author / database_2
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 / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2Jan 24, 2024Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / pdbx_initial_refinement_model
Item: _citation.country

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Ferritin
B: Ferritin
C: Ferritin
D: Ferritin
E: Ferritin
F: Ferritin
G: Ferritin
H: Ferritin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)158,87747
Polymers154,7508
Non-polymers4,12739
Water21,6361201
1
A: Ferritin
B: Ferritin
C: Ferritin
D: Ferritin
E: Ferritin
F: Ferritin
G: Ferritin
H: Ferritin
hetero molecules

A: Ferritin
B: Ferritin
C: Ferritin
D: Ferritin
E: Ferritin
F: Ferritin
G: Ferritin
H: Ferritin
hetero molecules

A: Ferritin
B: Ferritin
C: Ferritin
D: Ferritin
E: Ferritin
F: Ferritin
G: Ferritin
H: Ferritin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)476,632141
Polymers464,25124
Non-polymers12,381117
Water43224
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_665-y+1,x-y+1,z1
crystal symmetry operation3_565-x+y,-x+1,z1
Buried area100790 Å2
ΔGint-1229 kcal/mol
Surface area147040 Å2
MethodPISA
Unit cell
Length a, b, c (Å)175.700, 175.700, 353.568
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number155
Space group name H-MH32
Components on special symmetry positions
IDModelComponents
11E-449-

HOH

Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 1 through 6 or resid 8...
21(chain B and (resid 1 through 6 or resid 8...
31(chain C and (resid 1 through 6 or resid 8...
41(chain D and (resid 1 through 6 or resid 8...
51(chain E and (resid 1 through 6 or resid 8...
61(chain F and (resid 1 through 6 or resid 8...
71(chain G and (resid 1 through 6 or resid 8...
81(chain H and (resid 1 through 6 or resid 8...

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain A and (resid 1 through 6 or resid 8...A1 - 6
121(chain A and (resid 1 through 6 or resid 8...A8 - 9
131(chain A and (resid 1 through 6 or resid 8...A11 - 49
141(chain A and (resid 1 through 6 or resid 8...A82 - 111
151(chain A and (resid 1 through 6 or resid 8...A0
161(chain A and (resid 1 through 6 or resid 8...A113 - 122
171(chain A and (resid 1 through 6 or resid 8...A1 - 203
181(chain A and (resid 1 through 6 or resid 8...A156 - 157
191(chain A and (resid 1 through 6 or resid 8...A159 - 164
211(chain B and (resid 1 through 6 or resid 8...B1 - 6
221(chain B and (resid 1 through 6 or resid 8...B8 - 9
231(chain B and (resid 1 through 6 or resid 8...B11 - 49
241(chain B and (resid 1 through 6 or resid 8...B51 - 57
251(chain B and (resid 1 through 6 or resid 8...B59 - 80
261(chain B and (resid 1 through 6 or resid 8...B82 - 111
271(chain B and (resid 1 through 6 or resid 8...B113 - 122
281(chain B and (resid 1 through 6 or resid 8...B124 - 154
291(chain B and (resid 1 through 6 or resid 8...B156 - 157
2101(chain B and (resid 1 through 6 or resid 8...B159 - 164
311(chain C and (resid 1 through 6 or resid 8...C1 - 6
321(chain C and (resid 1 through 6 or resid 8...C8 - 9
331(chain C and (resid 1 through 6 or resid 8...C11 - 49
341(chain C and (resid 1 through 6 or resid 8...C0
351(chain C and (resid 1 through 6 or resid 8...C113 - 122
361(chain C and (resid 1 through 6 or resid 8...C1 - 200
371(chain C and (resid 1 through 6 or resid 8...C124 - 154
381(chain C and (resid 1 through 6 or resid 8...C156 - 157
391(chain C and (resid 1 through 6 or resid 8...C159 - 164
411(chain D and (resid 1 through 6 or resid 8...D1 - 6
421(chain D and (resid 1 through 6 or resid 8...D8 - 9
431(chain D and (resid 1 through 6 or resid 8...D11 - 49
441(chain D and (resid 1 through 6 or resid 8...D51 - 57
451(chain D and (resid 1 through 6 or resid 8...D59 - 80
461(chain D and (resid 1 through 6 or resid 8...D82 - 111
471(chain D and (resid 1 through 6 or resid 8...D113 - 122
481(chain D and (resid 1 through 6 or resid 8...D124 - 154
491(chain D and (resid 1 through 6 or resid 8...D156 - 157
4101(chain D and (resid 1 through 6 or resid 8...D159 - 164
511(chain E and (resid 1 through 6 or resid 8...E1 - 6
521(chain E and (resid 1 through 6 or resid 8...E8 - 9
531(chain E and (resid 1 through 6 or resid 8...E11 - 49
541(chain E and (resid 1 through 6 or resid 8...E0
551(chain E and (resid 1 through 6 or resid 8...E113 - 122
561(chain E and (resid 1 through 6 or resid 8...E1 - 202
571(chain E and (resid 1 through 6 or resid 8...E124 - 154
581(chain E and (resid 1 through 6 or resid 8...E156 - 157
591(chain E and (resid 1 through 6 or resid 8...E159 - 164
611(chain F and (resid 1 through 6 or resid 8...F1 - 6
621(chain F and (resid 1 through 6 or resid 8...F8 - 9
631(chain F and (resid 1 through 6 or resid 8...F11 - 49
641(chain F and (resid 1 through 6 or resid 8...F51 - 57
651(chain F and (resid 1 through 6 or resid 8...F59 - 80
661(chain F and (resid 1 through 6 or resid 8...F82 - 111
671(chain F and (resid 1 through 6 or resid 8...F113 - 122
681(chain F and (resid 1 through 6 or resid 8...F124 - 154
691(chain F and (resid 1 through 6 or resid 8...F156 - 157
6101(chain F and (resid 1 through 6 or resid 8...F159 - 164
711(chain G and (resid 1 through 6 or resid 8...G1 - 6
721(chain G and (resid 1 through 6 or resid 8...G8 - 9
731(chain G and (resid 1 through 6 or resid 8...G11 - 49
741(chain G and (resid 1 through 6 or resid 8...G0
751(chain G and (resid 1 through 6 or resid 8...G113 - 122
761(chain G and (resid 1 through 6 or resid 8...G1 - 201
771(chain G and (resid 1 through 6 or resid 8...G124 - 154
781(chain G and (resid 1 through 6 or resid 8...G156 - 157
791(chain G and (resid 1 through 6 or resid 8...G159 - 164
811(chain H and (resid 1 through 6 or resid 8...H1 - 6
821(chain H and (resid 1 through 6 or resid 8...H8 - 9
831(chain H and (resid 1 through 6 or resid 8...H11 - 49
841(chain H and (resid 1 through 6 or resid 8...H51 - 57
851(chain H and (resid 1 through 6 or resid 8...H59 - 80
861(chain H and (resid 1 through 6 or resid 8...H82 - 111
871(chain H and (resid 1 through 6 or resid 8...H113 - 122
881(chain H and (resid 1 through 6 or resid 8...H124 - 154
891(chain H and (resid 1 through 6 or resid 8...H156 - 157
8101(chain H and (resid 1 through 6 or resid 8...H159 - 164

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Components

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Protein , 1 types, 8 molecules ABCDEFGH

#1: Protein
Ferritin


Mass: 19343.805 Da / Num. of mol.: 8 / Mutation: E65A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermotoga maritima MSB8 (bacteria) / Gene: TM_1128 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9X0L2, bacterial non-heme ferritin

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Non-polymers , 5 types, 1240 molecules

#2: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: SO4
#3: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C3H8O3
#4: Chemical
ChemComp-FE / FE (III) ION


Mass: 55.845 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Fe
#5: Chemical
ChemComp-LFA / EICOSANE / LIPID FRAGMENT


Mass: 282.547 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C20H42
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 1201 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN

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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: 3.39 Å3/Da / Density % sol: 63.75 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6 / Details: 2.4 M (NH4)2 SO4, 0.1M MES. pH 6.0.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: BESSY / Beamline: 14.1 / Wavelength: 0.9184 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 18, 2019
RadiationMonochromator: DCM Si111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9184 Å / Relative weight: 1
ReflectionResolution: 1.759→48.938 Å / Num. obs: 206460 / % possible obs: 99.9 % / Redundancy: 10.187 % / Biso Wilson estimate: 38.63 Å2 / CC1/2: 1 / Rmerge(I) obs: 0.085 / Rrim(I) all: 0.089 / Χ2: 1.087 / Net I/σ(I): 19.79
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. measured obsNum. possibleNum. unique obsCC1/2Rrim(I) all% possible all
1.76-1.8710.1222.4030.9433454533184330520.3922.53299.6
1.87-1.9910.0311.231.8931335131243312380.7021.297100
1.99-2.1510.4480.5894.230357529061290550.9220.62100
2.15-2.369.8510.2938.2726386326786267850.9760.309100
2.36-2.6410.5840.16714.525728424309243090.9930.176100
2.64-3.049.9780.08726.2621416021465214640.9980.092100
3.04-3.7210.6680.04152.8819464618247182450.9990.043100
3.72-5.259.9650.02676.42141512142031420110.027100
5.25-48.9389.8890.02284.55802118129811110.02399.8

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Processing

Software
NameVersionClassification
XSCALEdata scaling
PHENIX1.15.1refinement
PDB_EXTRACT3.25data extraction
XDSdata reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1vlg

1vlg


Resolution: 1.759→48.938 Å / SU ML: 0.25 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 24.46
RfactorNum. reflection% reflection
Rfree0.2045 2167 1.05 %
Rwork0.1801 --
obs0.1803 206405 99.9 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 289.7 Å2 / Biso mean: 55.9934 Å2 / Biso min: 25.15 Å2
Refinement stepCycle: final / Resolution: 1.759→48.938 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10904 0 435 1201 12540
Biso mean--80.58 58.62 -
Num. residues----1312
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A5968X-RAY DIFFRACTION9.56TORSIONAL
12B5968X-RAY DIFFRACTION9.56TORSIONAL
13C5968X-RAY DIFFRACTION9.56TORSIONAL
14D5968X-RAY DIFFRACTION9.56TORSIONAL
15E5968X-RAY DIFFRACTION9.56TORSIONAL
16F5968X-RAY DIFFRACTION9.56TORSIONAL
17G5968X-RAY DIFFRACTION9.56TORSIONAL
18H5968X-RAY DIFFRACTION9.56TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
1.7592-1.80010.4071420.38391337699
1.8001-1.84510.391440.34413566100
1.8451-1.8950.35391430.311813501100
1.895-1.95080.3231440.304813559100
1.9508-2.01370.24531440.260813516100
2.0137-2.08570.27411430.224213552100
2.0857-2.16920.22961450.202813615100
2.1692-2.26790.20091430.183213540100
2.2679-2.38750.21181450.177313589100
2.3875-2.53710.23011440.180913616100
2.5371-2.7330.23881450.185113623100
2.733-3.0080.18981450.178113654100
3.008-3.44310.19621450.170213715100
3.4431-4.33760.14881460.148213759100
4.3376-48.9380.19631490.16114057100
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)
10.3082-0.42160.00590.3062-0.19610.11070.04070.04740.18350.0185-0.09390.04410.12240.12-00.28950.02850.00780.313-0.00010.355829.445777.1153108.7168
20.2173-0.32770.36790.4448-0.10740.17650.05-0.11340.04830.1145-0.09860.08230.05330.0028-00.3194-0.01020.01730.3357-0.02690.358621.124679.1459113.8611
30.3047-0.14890.33620.0390.11570.58430.0857-0.0189-0.10140.007-0.0599-0.06930.11980.017500.3282-0.0009-0.01130.26640.02080.353627.396369.7587114.3897
40.1758-0.03240.03020.162-0.28540.1930.189-0.38860.14360.2406-0.09290.29140.0732-0.011600.3914-0.10060.07110.4342-0.05520.42453.39268.1291116.5432
50.369-0.61220.20090.3577-0.0410.23040.08910.0551-0.0437-0.0343-0.0838-0.01490.04560.018500.3067-0.008-00.3002-0.00250.329319.633687.933698.6514
60.4815-0.2678-0.12410.1512-0.28760.05430.029-0.11480.27190.0977-0.06480.12410.0419-0.009100.2959-0.0004-0.00120.2815-0.03960.358318.722791.653107.224
70.1837-0.25650.1220.0937-0.06980.1193-0.08660.29890.1117-0.18810.0620.06640.0960.087-00.32030.01380.03890.3251-0.00920.389323.634785.377198.0441
80.3328-0.19170.04760.00670.0214-0.0859-0.01670.04090.0831-0.0546-0.0239-0.0749-0.0364-0.011500.288-0.0134-0.00910.29050.01620.409516.7172100.313897.1409
90.06330.20990.20530.57010.04110.15840.0432-0.32520.47880.4404-0.2976-0.03740.0356-0.1031-0.00880.4074-0.033-0.10310.422-0.16370.659631.7987107.2872114.7087
100.1674-0.0690.14370.22640.4120.25430.0576-0.20560.0344-0.0518-0.0824-0.1430.0010.1086-00.3245-0.0133-0.08340.43540.00140.390453.5172100.4386152.9275
11-0.25160.1442-0.02110.31770.02640.5520.0664-0.10340.0095-0.0444-0.0903-0.0372-0.03150.065-00.3007-0-0.07340.40520.01440.379246.980999.1473151.6838
120.19690.0426-0.18250.0129-0.01670.2213-0.0106-0.0888-0.3390.0548-0.3725-0.24950.35920.1792-0.01310.4109-0.0253-0.09610.4990.10020.458155.965185.0561159.1134
13-0.04740.06640.12030.22720.3980.47640.0368-0.17510.11040.04390.05650.03950.0859-0.11950.00020.3935-0.0537-0.10320.49930.00960.392954.0165104.3937163.5769
14-0.20620.0220.10610.40650.72860.96750.1184-0.07420.21930.3384-0.28030.15740.0125-0.3253-0.01720.3307-0.101-0.03790.4895-0.04670.297544.3631102.4079165.8841
15-0.02170.0336-0.0130.24070.11480.07190.3087-0.07280.3810.5704-0.32150.688-0.0091-0.2498-0.0010.502-0.15930.04880.5644-0.0580.521135.559683.1795167.0567
160.01460.0003-0.0113-0.0005-0.01790.0327-0.026-0.5899-0.08150.13460.1205-0.0558-0.0128-0.02080.00010.47020.0493-0.11690.44550.10440.601948.703367.2111148.4639
170.24560.28410.10680.14710.29940.44350.0006-0.0385-0.0689-0.05940.0605-0.0493-0.06340.1254-00.31130.0176-0.05690.370.03060.383952.264189.9126140.0146
180.30650.19270.08620.17760.20530.1663-0.0108-0.07350.0524-0.06840.11140.17060.0089-0.051300.34970.0062-0.0660.35840.0370.389244.396890.5594141.3412
190.47420.21530.12390.26860.4721-0.0557-0.02260.0238-0.1004-0.16960.0559-0.26170.01960.14100.35280.0013-0.02630.36260.03780.404153.433287.2757133.3524
200.22330.1891-0.12520.0499-0.16-0.0684-0.1027-0.00090.0071-0.18230.15460.10740.0451-0.057-00.3487-0.019-0.08330.29940.0290.334742.832487.3879127.982
210.03490.20620.21070.40910.45810.4134-0.1359-0.0946-0.0743-0.51820.27930.5269-0.1616-0.1580.11820.5485-0.0394-0.2050.36660.13960.581740.2264108.3355126.3054
220.1616-0.15650.03470.3291-0.03280.0475-0.0338-0.00630.11580.0319-0.0166-0.1146-0.0702-0.146100.2784-0.0642-0.03060.3447-0.03070.333639.1435138.27150.8828
230.2008-0.15570.01290.1518-0.25030.1617-0.0735-0.02490.06490.0751-0.0641-0.02940.3044-0.2234-00.343-0.0777-0.00550.3731-0.02350.328333.095131.8923147.6235
240.1411-0.076-0.06860.2088-0.21540.0829-0.0112-0.10910.1740.08770.0167-0.1547-0.06810.2457-00.3506-0.0668-0.02380.3778-0.03550.410339.125142.4746148.491
250.2536-0.19010.07660.242-0.09150.06290.022-0.02340.1346-0.05090.0164-0.1629-0.03570.0955-00.2862-0.0601-0.0220.3492-0.00810.315847.9524131.1909151.5582
260.2477-0.07320.04660.1741-0.14240.1584-0.0544-0.08210.0386-0.0084-0.0329-0.02310.2362-0.080100.3759-0.0408-0.0070.35620.02150.334843.2846123.3912147.8705
270.2179-0.25740.20990.1302-0.08580.13750.16740.2555-0.04780.0741-0.2536-0.10770.2657-0.2109-00.4926-0.10210.03260.3835-0.02870.341135.9982122.5694128.1863
280.5011-0.17010.13670.29-0.02820.0846-0.0602-0.01910.1960.04240.0081-0.0354-0.09080.044100.3494-0.0381-0.02340.3661-0.03650.392526.9108148.0316143.3942
290.2665-0.00020.30350.08210.15420.1379-0.0368-0.00660.04620.009-0.0418-0.03940.1084-0.196800.311-0.0378-0.00670.3699-0.05570.321221.9976140.8126146.6954
300.1390.10190.14480.277-0.08360.0968-0.01870.10320.1994-0.0381-0.0823-0.1338-0.4758-0.064300.355-0.0519-0.04150.3544-0.04710.400730.9799149.0083145.83
310.0831-0.1143-0.02030.05170.05620.0107-0.0609-0.03090.27620.01360.084-0.1029-0.08190.0733-00.4142-0.0021-0.04910.3745-0.09230.42418.1011155.194142.6296
320.1223-0.11430.09080.16940.13260.033-0.1399-0.12050.103-0.0259-0.0046-0.03330.0784-0.1064-00.32040.0119-0.01580.4007-0.07430.354811.6025148.8871146.4063
330.1209-0.15750.0330.1466-0.22870.1904-0.3586-0.2482-0.18140.0102-0.02640.35120.215-0.4893-0.00170.4625-0.04130.06170.7476-0.11040.387212.089141.3183165.9966
340.15710.01330.0075-0.14510.10310.02860.1616-0.0683-0.16670.0898-0.13380.098-0.03710.05450.00880.429-0.0162-0.07060.4454-0.02960.30235.0926116.2472185.4615
350.14190.0603-0.30940.08280.02130.00230.0715-0.1594-0.1298-0.1364-0.07180.1035-0.04890.022900.4592-0.0173-0.0610.4764-0.0380.327426.5426116.7748180.4994
360.72540.0561-0.4647-0.29440.08740.56390.0885-0.08680.1880.0874-0.0158-0.1611-0.08240.0994-00.442-0.04-0.05230.435-0.05310.340235.3162123.8466179.8563
370.11670.0001-0.12130.0547-0.12880.08620.40090.79290.1679-0.1032-0.30950.3155-0.1066-0.21170.00010.55580.1253-0.02080.6487-0.02450.503912.9204132.687178.0451
380.3970.66-0.37170.5375-0.22480.1022-0.1296-0.13180.03140.1652-0.0284-0.05860.23-0.0231-00.49540.0152-0.04360.5254-0.00820.25522.6049108.897195.898
390.32140.2475-0.31130.1773-0.2485-0.05330.0028-0.0545-0.2325-0.2553-0.08950.1086-0.0526-0.1024-00.5252-0.0259-0.01020.4816-0.03080.347420.7416105.4513187.1908
400.33660.1573-0.25640.2892-0.35570.3929-0.3073-0.8205-0.32950.24930.23280.41040.02840.3601-0.00170.5360.0523-0.07180.64590.00170.357927.3293110.178196.2923
410.12060.1791-0.31370.29920.15360.0827-0.0085-0.1198-0.05490.0783-0.1005-0.10010.07410.0003-00.51250.02260.00930.51170.0490.34816.356597.7137197.3319
420.14780.2176-0.02330.26150.10830.029-0.16950.2326-0.3027-0.9752-0.2537-0.00410.6606-0.3581-0.03240.776-0.06290.28830.5047-0.0580.677628.893186.6063179.7697
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 35 )A1 - 35
2X-RAY DIFFRACTION2chain 'A' and (resid 36 through 65 )A36 - 65
3X-RAY DIFFRACTION3chain 'A' and (resid 66 through 146 )A66 - 146
4X-RAY DIFFRACTION4chain 'A' and (resid 147 through 164 )A147 - 164
5X-RAY DIFFRACTION5chain 'B' and (resid 1 through 36 )B1 - 36
6X-RAY DIFFRACTION6chain 'B' and (resid 37 through 65 )B37 - 65
7X-RAY DIFFRACTION7chain 'B' and (resid 66 through 84 )B66 - 84
8X-RAY DIFFRACTION8chain 'B' and (resid 85 through 146 )B85 - 146
9X-RAY DIFFRACTION9chain 'B' and (resid 147 through 164 )B147 - 164
10X-RAY DIFFRACTION10chain 'C' and (resid 1 through 35 )C1 - 35
11X-RAY DIFFRACTION11chain 'C' and (resid 36 through 75 )C36 - 75
12X-RAY DIFFRACTION12chain 'C' and (resid 76 through 84 )C76 - 84
13X-RAY DIFFRACTION13chain 'C' and (resid 85 through 115 )C85 - 115
14X-RAY DIFFRACTION14chain 'C' and (resid 116 through 146 )C116 - 146
15X-RAY DIFFRACTION15chain 'C' and (resid 147 through 164 )C147 - 164
16X-RAY DIFFRACTION16chain 'D' and (resid 1 through 5 )D1 - 5
17X-RAY DIFFRACTION17chain 'D' and (resid 6 through 35 )D6 - 35
18X-RAY DIFFRACTION18chain 'D' and (resid 36 through 70 )D36 - 70
19X-RAY DIFFRACTION19chain 'D' and (resid 71 through 115 )D71 - 115
20X-RAY DIFFRACTION20chain 'D' and (resid 116 through 146 )D116 - 146
21X-RAY DIFFRACTION21chain 'D' and (resid 147 through 164 )D147 - 164
22X-RAY DIFFRACTION22chain 'E' and (resid 1 through 36 )E1 - 36
23X-RAY DIFFRACTION23chain 'E' and (resid 37 through 65 )E37 - 65
24X-RAY DIFFRACTION24chain 'E' and (resid 66 through 84 )E66 - 84
25X-RAY DIFFRACTION25chain 'E' and (resid 85 through 115 )E85 - 115
26X-RAY DIFFRACTION26chain 'E' and (resid 116 through 146 )E116 - 146
27X-RAY DIFFRACTION27chain 'E' and (resid 147 through 164 )E147 - 164
28X-RAY DIFFRACTION28chain 'F' and (resid 1 through 36 )F1 - 36
29X-RAY DIFFRACTION29chain 'F' and (resid 37 through 65 )F37 - 65
30X-RAY DIFFRACTION30chain 'F' and (resid 66 through 84 )F66 - 84
31X-RAY DIFFRACTION31chain 'F' and (resid 85 through 115 )F85 - 115
32X-RAY DIFFRACTION32chain 'F' and (resid 116 through 146 )F116 - 146
33X-RAY DIFFRACTION33chain 'F' and (resid 147 through 164 )F147 - 164
34X-RAY DIFFRACTION34chain 'G' and (resid 1 through 35 )G1 - 35
35X-RAY DIFFRACTION35chain 'G' and (resid 36 through 65 )G36 - 65
36X-RAY DIFFRACTION36chain 'G' and (resid 66 through 146 )G66 - 146
37X-RAY DIFFRACTION37chain 'G' and (resid 147 through 164 )G147 - 164
38X-RAY DIFFRACTION38chain 'H' and (resid 1 through 36 )H1 - 36
39X-RAY DIFFRACTION39chain 'H' and (resid 37 through 65 )H37 - 65
40X-RAY DIFFRACTION40chain 'H' and (resid 66 through 84 )H66 - 84
41X-RAY DIFFRACTION41chain 'H' and (resid 85 through 146 )H85 - 146
42X-RAY DIFFRACTION42chain 'H' and (resid 147 through 164 )H147 - 164

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