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- PDB-6txl: Crystal structure of thermotoga maritima E65Q Ferritin -

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Basic information

Entry
Database: PDB / ID: 6txl
TitleCrystal structure of thermotoga maritima E65Q 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 / cytosol / cytoplasm
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 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.099 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)160,75962
Polymers155,2078
Non-polymers5,55254
Water8,485471
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)482,277186
Polymers465,62124
Non-polymers16,656162
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 area96770 Å2
ΔGint-594 kcal/mol
Surface area146990 Å2
MethodPISA
Unit cell
Length a, b, c (Å)176.219, 176.219, 355.045
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number155
Space group name H-MH32
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 2 through 6 or resid 8...
21(chain B and (resid 2 through 6 or resid 8...
31(chain C and (resid 2 through 6 or resid 8...
41(chain D and (resid 2 through 6 or resid 8...
51(chain E and (resid 2 through 6 or resid 8...
61(chain F and (resid 2 through 6 or resid 8...
71(chain G and (resid 2 through 6 or resid 8...
81(chain H and (resid 2 through 6 or resid 8...

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain A and (resid 2 through 6 or resid 8...A2 - 6
121(chain A and (resid 2 through 6 or resid 8...A8 - 9
131(chain A and (resid 2 through 6 or resid 8...A0
141(chain A and (resid 2 through 6 or resid 8...A1 - 203
151(chain A and (resid 2 through 6 or resid 8...A59 - 65
161(chain A and (resid 2 through 6 or resid 8...A678
171(chain A and (resid 2 through 6 or resid 8...A7
181(chain A and (resid 2 through 6 or resid 8...A1 - 203
191(chain A and (resid 2 through 6 or resid 8...A79
1101(chain A and (resid 2 through 6 or resid 8...A1 - 203
1111(chain A and (resid 2 through 6 or resid 8...A124 - 130
1121(chain A and (resid 2 through 6 or resid 8...A1 - 203
1131(chain A and (resid 2 through 6 or resid 8...A135
1141(chain A and (resid 2 through 6 or resid 8...A159 - 157
1151(chain A and (resid 2 through 6 or resid 8...A159 - 161
1161(chain A and (resid 2 through 6 or resid 8...A163 - 200
211(chain B and (resid 2 through 6 or resid 8...B2 - 6
221(chain B and (resid 2 through 6 or resid 8...B8 - 9
231(chain B and (resid 2 through 6 or resid 8...B0
241(chain B and (resid 2 through 6 or resid 8...B1 - 205
251(chain B and (resid 2 through 6 or resid 8...B59 - 65
261(chain B and (resid 2 through 6 or resid 8...B678
271(chain B and (resid 2 through 6 or resid 8...B7
281(chain B and (resid 2 through 6 or resid 8...B1 - 205
291(chain B and (resid 2 through 6 or resid 8...B79
2101(chain B and (resid 2 through 6 or resid 8...B1 - 205
2111(chain B and (resid 2 through 6 or resid 8...B124 - 130
2121(chain B and (resid 2 through 6 or resid 8...B1 - 205
2131(chain B and (resid 2 through 6 or resid 8...B135
2141(chain B and (resid 2 through 6 or resid 8...B159 - 157
2151(chain B and (resid 2 through 6 or resid 8...B159 - 161
2161(chain B and (resid 2 through 6 or resid 8...B163 - 200
311(chain C and (resid 2 through 6 or resid 8...C2 - 6
321(chain C and (resid 2 through 6 or resid 8...C8 - 9
331(chain C and (resid 2 through 6 or resid 8...C11 - 17
341(chain C and (resid 2 through 6 or resid 8...C0
351(chain C and (resid 2 through 6 or resid 8...C59 - 65
361(chain C and (resid 2 through 6 or resid 8...C1 - 200
371(chain C and (resid 2 through 6 or resid 8...C70 - 75
381(chain C and (resid 2 through 6 or resid 8...C77 - 79
391(chain C and (resid 2 through 6 or resid 8...C1 - 200
3101(chain C and (resid 2 through 6 or resid 8...C1 - 200
3111(chain C and (resid 2 through 6 or resid 8...C132 - 134
3121(chain C and (resid 2 through 6 or resid 8...C159 - 167
3131(chain C and (resid 2 through 6 or resid 8...C159 - 161
3141(chain C and (resid 2 through 6 or resid 8...C163 - 200
411(chain D and (resid 2 through 6 or resid 8...D2 - 6
421(chain D and (resid 2 through 6 or resid 8...D8 - 9
431(chain D and (resid 2 through 6 or resid 8...D0
441(chain D and (resid 2 through 6 or resid 8...D1 - 201
451(chain D and (resid 2 through 6 or resid 8...D59 - 65
461(chain D and (resid 2 through 6 or resid 8...D678
471(chain D and (resid 2 through 6 or resid 8...D7
481(chain D and (resid 2 through 6 or resid 8...D1 - 201
491(chain D and (resid 2 through 6 or resid 8...D79
4101(chain D and (resid 2 through 6 or resid 8...D1 - 201
4111(chain D and (resid 2 through 6 or resid 8...D124 - 130
4121(chain D and (resid 2 through 6 or resid 8...D1 - 201
4131(chain D and (resid 2 through 6 or resid 8...D135
4141(chain D and (resid 2 through 6 or resid 8...D159 - 157
4151(chain D and (resid 2 through 6 or resid 8...D159 - 161
4161(chain D and (resid 2 through 6 or resid 8...D163 - 200
511(chain E and (resid 2 through 6 or resid 8...E2 - 6
521(chain E and (resid 2 through 6 or resid 8...E8 - 9
531(chain E and (resid 2 through 6 or resid 8...E11 - 17
541(chain E and (resid 2 through 6 or resid 8...E19 - 49
551(chain E and (resid 2 through 6 or resid 8...E59 - 65
561(chain E and (resid 2 through 6 or resid 8...E7 - 68
571(chain E and (resid 2 through 6 or resid 8...E70 - 75
581(chain E and (resid 2 through 6 or resid 8...E77 - 79
591(chain E and (resid 2 through 6 or resid 8...E82 - 110
5101(chain E and (resid 2 through 6 or resid 8...E132 - 134
5111(chain E and (resid 2 through 6 or resid 8...E136 - 154
5121(chain E and (resid 2 through 6 or resid 8...E156 - 157
5131(chain E and (resid 2 through 6 or resid 8...E159 - 161
5141(chain E and (resid 2 through 6 or resid 8...E163 - 200
611(chain F and (resid 2 through 6 or resid 8...F2 - 6
621(chain F and (resid 2 through 6 or resid 8...F8 - 9
631(chain F and (resid 2 through 6 or resid 8...F11 - 17
641(chain F and (resid 2 through 6 or resid 8...F19 - 49
651(chain F and (resid 2 through 6 or resid 8...F52 - 57
661(chain F and (resid 2 through 6 or resid 8...F59 - 65
671(chain F and (resid 2 through 6 or resid 8...F67 - 68
681(chain F and (resid 2 through 6 or resid 8...F70 - 75
691(chain F and (resid 2 through 6 or resid 8...F77 - 79
6101(chain F and (resid 2 through 6 or resid 8...F82 - 110
6111(chain F and (resid 2 through 6 or resid 8...F113 - 122
6121(chain F and (resid 2 through 6 or resid 8...F124 - 130
6131(chain F and (resid 2 through 6 or resid 8...F132 - 134
6141(chain F and (resid 2 through 6 or resid 8...F136 - 154
6151(chain F and (resid 2 through 6 or resid 8...F156 - 157
6161(chain F and (resid 2 through 6 or resid 8...F159 - 161
6171(chain F and (resid 2 through 6 or resid 8...F163 - 200
711(chain G and (resid 2 through 6 or resid 8...G2 - 6
721(chain G and (resid 2 through 6 or resid 8...G8 - 9
731(chain G and (resid 2 through 6 or resid 8...G11 - 17
741(chain G and (resid 2 through 6 or resid 8...G0
751(chain G and (resid 2 through 6 or resid 8...G59 - 65
761(chain G and (resid 2 through 6 or resid 8...G1 - 201
771(chain G and (resid 2 through 6 or resid 8...G70 - 75
781(chain G and (resid 2 through 6 or resid 8...G77 - 79
791(chain G and (resid 2 through 6 or resid 8...G1 - 201
7101(chain G and (resid 2 through 6 or resid 8...G1 - 201
7111(chain G and (resid 2 through 6 or resid 8...G132 - 134
7121(chain G and (resid 2 through 6 or resid 8...G159 - 167
7131(chain G and (resid 2 through 6 or resid 8...G159 - 161
7141(chain G and (resid 2 through 6 or resid 8...G163 - 200
811(chain H and (resid 2 through 6 or resid 8...H2 - 6
821(chain H and (resid 2 through 6 or resid 8...H8 - 9
831(chain H and (resid 2 through 6 or resid 8...H0
841(chain H and (resid 2 through 6 or resid 8...H52
851(chain H and (resid 2 through 6 or resid 8...H59 - 6568
861(chain H and (resid 2 through 6 or resid 8...H1 - 202
871(chain H and (resid 2 through 6 or resid 8...H77 - 79
881(chain H and (resid 2 through 6 or resid 8...H82 - 110
891(chain H and (resid 2 through 6 or resid 8...H1 - 202
8101(chain H and (resid 2 through 6 or resid 8...H124
8111(chain H and (resid 2 through 6 or resid 8...H136 - 154
8121(chain H and (resid 2 through 6 or resid 8...H159 - 167
8131(chain H and (resid 2 through 6 or resid 8...H159 - 161
8141(chain H and (resid 2 through 6 or resid 8...H163 - 200

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Components

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Protein , 1 types, 8 molecules ABCDEFGH

#1: Protein
Ferritin /


Mass: 19400.855 Da / Num. of mol.: 8 / Mutation: E65Q
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) (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, 525 molecules

#2: Chemical
ChemComp-FE / FE (III) ION / Iron


Mass: 55.845 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Fe
#3: Chemical...
ChemComp-SO4 / SULFATE ION / Sulfate


Mass: 96.063 Da / Num. of mol.: 27 / Source method: obtained synthetically / Formula: SO4
#4: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 15 / Source method: obtained synthetically / Formula: C3H8O3
#5: Chemical
ChemComp-LFA / EICOSANE / LIPID FRAGMENT / Icosane


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


Mass: 18.015 Da / Num. of mol.: 471 / 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: 3.42 Å3/Da / Density % sol: 64.01 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 2.4 M (NH4)2 SO4, 0.1M MES. pH 6.0. 10mg/ml protein in 20mM HEPES, 150mM NaCl. Mixed 1:1 ratio

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: BESSY / Beamline: 14.2 / Wavelength: 0.9184 Å
DetectorType: DECTRIS PILATUS3 S 2M / Detector: PIXEL / Date: Apr 13, 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: 2.099→26.884 Å / Num. obs: 123375 / % possible obs: 99.6 % / Redundancy: 10.043 % / Biso Wilson estimate: 51.253 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.152 / Rrim(I) all: 0.16 / Χ2: 1.351 / Net I/σ(I): 10.27
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
2.1-2.229.9742.570.719404519849194550.3312.70898
2.22-2.3810.3341.5041.319281718666186580.6121.582100
2.38-2.579.6160.9012.1316724517395173920.7960.952100
2.57-2.8110.790.534.0917309816048160420.9320.557100
2.81-3.1410.5620.2648.3515373814568145560.9820.27799.9
3.14-3.629.5740.13816.1512327612881128760.9930.146100
3.62-4.439.7950.08227.6310706410932109300.9970.087100
4.43-6.249.6190.06534.1982302856185560.9980.06999.9
6.24-26.8849.2620.04341.2545468493249090.9990.04599.5

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Phasing

PhasingMethod: molecular replacement
Phasing MR
Highest resolutionLowest resolution
Rotation7.59 Å27.48 Å

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Processing

Software
NameVersionClassification
XSCALEdata scaling
PHASER2.8.2phasing
PHENIX1.15.1_3469refinement
PDB_EXTRACT3.25data extraction
XDSdata reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1vlg

1vlg


Resolution: 2.099→26.884 Å / SU ML: 0.36 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 28.19
RfactorNum. reflection% reflection
Rfree0.2218 2094 1.7 %
Rwork0.1925 --
obs0.193 123101 99.84 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 152.38 Å2 / Biso mean: 66.7762 Å2 / Biso min: 40.37 Å2
Refinement stepCycle: final / Resolution: 2.099→26.884 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10936 0 313 471 11720
Biso mean--88.41 67.5 -
Num. residues----1312
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A3079X-RAY DIFFRACTION5.245TORSIONAL
12B3079X-RAY DIFFRACTION5.245TORSIONAL
13C3079X-RAY DIFFRACTION5.245TORSIONAL
14D3079X-RAY DIFFRACTION5.245TORSIONAL
15E3079X-RAY DIFFRACTION5.245TORSIONAL
16F3079X-RAY DIFFRACTION5.245TORSIONAL
17G3079X-RAY DIFFRACTION5.245TORSIONAL
18H3079X-RAY DIFFRACTION5.245TORSIONAL
LS refinement shell

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

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
2.099-2.14780.40071350.3916791399
2.1478-2.20150.35661390.34748033100
2.2015-2.2610.3151390.33738034100
2.261-2.32750.34251390.30447995100
2.3275-2.40250.34991390.28398009100
2.4025-2.48840.32371380.27638013100
2.4884-2.58790.28911400.25588063100
2.5879-2.70560.27661390.24828034100
2.7056-2.84810.24551390.22318034100
2.8481-3.02630.24811400.2128074100
3.0263-3.25960.20491400.21238096100
3.2596-3.58690.22361400.18468088100
3.5869-4.10440.18661410.16858120100
4.1044-5.16510.18361410.14278176100
5.1651-26.8840.18641450.1568832599
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)
16.091-5.6177-1.58625.28471.58952.16130.27710.02540.0097-0.53170.5592-1.4279-0.98480.4386-0.85270.69230.05870.02280.89210.03050.943547.88784.9006116.2382
20.75120.04880.63790.88790.06320.86520.0859-0.0184-0.04110.0624-0.084-0.03150.14090.0832-0.00930.52490.01510.00670.4347-0.01350.561725.848473.525113.4084
35.31173.1727-0.46726.1641-2.27812.74130.2871-0.66770.57430.6669-0.33581.02930.0048-0.03970.06280.6978-0.04730.09040.6154-0.00050.65743.535168.3441116.8796
45.14520.2259-4.48444.9777-3.94576.73830.52670.8706-1.104-0.39120.56890.54681.0368-1.4738-0.88010.90070.0134-0.16980.7452-0.0220.86960.08480.700392.1357
51.2524-0.57770.13330.8434-0.14920.5924-0.07630.12410.13-0.03860.0113-0.056-0.01670.11380.06970.4559-0.01120.02710.45910.02090.540419.235694.1835100.743
63.71731.87431.20713.9704-0.02432.36020.4707-0.7840.81850.5646-0.5415-0.3558-0.46160.00360.03640.5870.0058-0.11530.6835-0.14540.985831.811107.3054115.403
71.84461.3748-0.3174.3450.33120.66260.1782-0.3885-0.05830.2136-0.2231-0.5631-0.03970.24360.04040.5382-0.0007-0.15060.6370.00180.56753.41999.9292153.7482
80.07680.4681-0.2012.6874-1.04592.18040.1059-0.17120.0080.1349-0.02130.0592-0.28520.096-0.04970.46360.0069-0.10040.65410.02160.606246.9186100.0957151.9072
90.89840.47040.26822.06390.37540.89330.1964-0.3167-0.25190.3433-0.2505-0.26820.0680.11510.05850.5660.0057-0.11450.7150.04710.617254.581100.222163.0653
100.09880.6913-0.41087.4515-1.38682.316-0.05140.04750.24990.50580.19170.5456-0.199-0.3595-0.0890.5256-0.0484-0.06470.6851-0.02780.630244.2639102.3184166.4419
114.29951.5821-0.72353.88471.70091.73610.525-0.48160.02850.44090.23441.77070.0522-0.7449-0.71280.7781-0.13220.0510.83580.03170.982435.826183.4379167.772
125.73360.1878-3.14465.26331.17283.0631-0.4006-0.3237-0.39220.1667-0.8119-1.06890.2397-0.0431.17720.88340.0946-0.18120.6389-0.01840.922148.603467.2359148.7544
130.68561.20830.30472.40860.03151.31820.0643-0.0516-0.17220.0394-0.0229-0.22440.05120.2475-0.06520.46140.0248-0.0440.59820.03510.584552.355790.1246140.5496
140.33010.97950.09635.994-2.2352.00590.0362-0.10520.0146-0.0820.16850.62380.13220.0055-0.20410.52120.0164-0.04260.57330.030.659143.77592.7105140.817
151.35980.39990.41192.0453-0.14661.30850.03320.0464-0.2366-0.4451-0.0257-0.38610.33120.2645-0.02230.44080.0195-0.01990.5630.02680.588652.684985.8218135.6604
160.59930.8455-0.69345.043-1.66711.05880.04070.08970.0732-0.1750.3910.69810.0851-0.1412-0.38050.5618-0.001-0.09930.61740.01390.671742.846387.9794128.5333
172.7808-1.62910.28153.6271.10122.18780.00450.5380.2738-0.64140.59781.0068-0.1857-0.9523-0.70050.6616-0.0719-0.14650.60380.1630.840140.3694108.5958126.7538
185.48240.07055.00380.8598-0.02564.57610.2234-0.61740.2621.83950.28690.078-0.3250.874-0.25140.9589-0.1036-0.05240.84040.01990.63238.9664138.5007173.5198
190.3022-0.5123-0.34520.89630.29323.66710.0131-0.09220.08320.14860.0608-0.050.18860.0187-0.02380.5314-0.13780.00180.655-0.02740.62336.2477136.787150.1997
200.72210.11860.67821.03190.2341.83470.0637-0.06650.02990.13330.0148-0.08770.3061-0.0229-0.07030.5527-0.1068-0.00240.57630.0260.612645.1973128.905148.5797
216.1262-2.3613-3.89731.13992.47786.7535-0.24310.8499-0.07760.1107-0.154-0.11551.005-0.89460.47260.7554-0.1490.05940.6437-0.01610.66536.0819122.9871128.6793
221.5618-0.44550.72791.2146-0.92792.7239-0.1973-0.19660.27590.25930.0234-0.0703-0.521-0.36350.12560.5853-0.0785-0.02370.6479-0.0930.74526.9818148.4703143.8832
231.3274-0.06940.49320.382-0.46541.2495-0.0171-0.25160.29690.11050.0133-0.0568-0.287-0.18310.02460.5786-0.0753-0.00470.6107-0.12850.699819.4333148.6416145.8796
242.27170.07280.23873.4646-1.94111.1223-0.3034-0.42740.05790.99860.03180.48711.0157-0.73540.12360.8254-0.10290.02971.2615-0.06020.685512.2039141.7611166.7494
259.71643.28151.60142.4261-0.67912.49990.034-0.9635-2.26710.06590.4744-0.67741.77290.0039-0.2630.8394-0.0033-0.07140.85480.16521.003950.4911103.8548178.624
261.529-0.3877-1.3651.05210.42481.22780.124-0.2450.0928-0.0013-0.14190.024-0.20670.090.020.7335-0.0608-0.13380.7141-0.04880.605632.9345119.717184.377
274.8853-3.4973-1.07753.44921.41440.99510.32620.0592-0.1862-0.1628-0.18630.2365-0.130.107-0.17540.7731-0.0405-0.0590.67160.01020.598932.393126.5823174.061
282.08420.50360.3930.2053-0.40033.04270.21760.4003-0.0023-0.6652-0.29971.1506-0.36090.0753-0.03511.04260.2203-0.17591.1119-0.10090.83812.6752132.2817178.6461
290.7944-2.2557-0.51736.44781.37880.5243-0.462-0.96691.18580.84030.28570.7829-0.9575-0.95250.44170.93650.02460.0381.1652-0.20111.07626.4743122.3411203.5183
301.63250.8282-0.97080.7035-0.20091.0081-0.1901-0.3915-0.35690.2314-0.039-0.0620.1790.19040.18690.72760.0282-0.09830.76420.05410.640522.1301105.8159195.5261
313.3354-2.8758-2.35254.94941.99391.98430.1088-0.0454-0.2782-0.4247-0.21510.1461-0.0804-0.03020.16830.71990.0252-0.02020.81150.1060.79915.157195.4905194.0657
323.3822-0.8145-1.9853.67781.06453.6719-0.0391-0.0456-1.1356-1.1834-0.2255-0.39080.7589-0.06250.34821.0245-0.02080.25950.6881-0.12051.32328.664186.5589180.6032
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 5 )A1 - 5
2X-RAY DIFFRACTION2chain 'A' and (resid 6 through 146 )A6 - 146
3X-RAY DIFFRACTION3chain 'A' and (resid 147 through 164 )A147 - 164
4X-RAY DIFFRACTION4chain 'B' and (resid 1 through 5 )B1 - 5
5X-RAY DIFFRACTION5chain 'B' and (resid 6 through 146 )B6 - 146
6X-RAY DIFFRACTION6chain 'B' and (resid 147 through 164 )B147 - 164
7X-RAY DIFFRACTION7chain 'C' and (resid 1 through 36 )C1 - 36
8X-RAY DIFFRACTION8chain 'C' and (resid 37 through 75 )C37 - 75
9X-RAY DIFFRACTION9chain 'C' and (resid 76 through 115 )C76 - 115
10X-RAY DIFFRACTION10chain 'C' and (resid 116 through 146 )C116 - 146
11X-RAY DIFFRACTION11chain 'C' and (resid 147 through 164 )C147 - 164
12X-RAY DIFFRACTION12chain 'D' and (resid 1 through 5 )D1 - 5
13X-RAY DIFFRACTION13chain 'D' and (resid 6 through 35 )D6 - 35
14X-RAY DIFFRACTION14chain 'D' and (resid 36 through 65 )D36 - 65
15X-RAY DIFFRACTION15chain 'D' and (resid 66 through 115 )D66 - 115
16X-RAY DIFFRACTION16chain 'D' and (resid 116 through 146 )D116 - 146
17X-RAY DIFFRACTION17chain 'D' and (resid 147 through 164 )D147 - 164
18X-RAY DIFFRACTION18chain 'E' and (resid 1 through 5 )E1 - 5
19X-RAY DIFFRACTION19chain 'E' and (resid 6 through 76 )E6 - 76
20X-RAY DIFFRACTION20chain 'E' and (resid 77 through 146 )E77 - 146
21X-RAY DIFFRACTION21chain 'E' and (resid 147 through 164 )E147 - 164
22X-RAY DIFFRACTION22chain 'F' and (resid 1 through 36 )F1 - 36
23X-RAY DIFFRACTION23chain 'F' and (resid 37 through 146 )F37 - 146
24X-RAY DIFFRACTION24chain 'F' and (resid 147 through 164 )F147 - 164
25X-RAY DIFFRACTION25chain 'G' and (resid 1 through 5 )G1 - 5
26X-RAY DIFFRACTION26chain 'G' and (resid 6 through 115 )G6 - 115
27X-RAY DIFFRACTION27chain 'G' and (resid 116 through 146 )G116 - 146
28X-RAY DIFFRACTION28chain 'G' and (resid 147 through 164 )G147 - 164
29X-RAY DIFFRACTION29chain 'H' and (resid 1 through 5 )H1 - 5
30X-RAY DIFFRACTION30chain 'H' and (resid 6 through 115 )H6 - 115
31X-RAY DIFFRACTION31chain 'H' and (resid 116 through 146 )H116 - 146
32X-RAY DIFFRACTION32chain 'H' and (resid 147 through 164 )H147 - 164

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