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- PDB-6txm: Crystal structure of thermotoga maritima E65R Ferritin -

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Basic information

Entry
Database: PDB / ID: 6txm
TitleCrystal structure of thermotoga maritima E65R Ferritin
ComponentsFerritin
KeywordsMETAL BINDING PROTEIN / Metal binding / engineered protein
Function / homology
Function and homology information


bacterial non-heme ferritin / ferroxidase activity / intracellular sequestering of iron ion / 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
Biological speciesThermotoga maritima (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.198 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)160,07249
Polymers155,4398
Non-polymers4,63341
Water5,549308
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)480,217147
Polymers466,31824
Non-polymers13,899123
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 area106310 Å2
ΔGint-1263 kcal/mol
Surface area147050 Å2
MethodPISA
Unit cell
Length a, b, c (Å)176.262, 176.262, 353.783
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 9 or resid 11...
21(chain B and (resid 2 through 9 or resid 11...
31(chain C and (resid 2 through 9 or resid 11...
41(chain D and (resid 2 through 9 or resid 11...
51(chain E and (resid 2 through 9 or resid 11...
61(chain F and (resid 2 through 9 or resid 11...
71(chain G and (resid 2 through 9 or resid 11...
81(chain H and (resid 2 through 9 or resid 11...

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain A and (resid 2 through 9 or resid 11...A2 - 9
121(chain A and (resid 2 through 9 or resid 11...A11 - 17
131(chain A and (resid 2 through 9 or resid 11...A1 - 203
141(chain A and (resid 2 through 9 or resid 11...A1 - 203
151(chain A and (resid 2 through 9 or resid 11...A67 - 68
161(chain A and (resid 2 through 9 or resid 11...A70 - 75
171(chain A and (resid 2 through 9 or resid 11...A7
181(chain A and (resid 2 through 9 or resid 11...A85
191(chain A and (resid 2 through 9 or resid 11...A95 - 110
1101(chain A and (resid 2 through 9 or resid 11...A1 - 203
1111(chain A and (resid 2 through 9 or resid 11...A113 - 122
1121(chain A and (resid 2 through 9 or resid 11...A1 - 203
1131(chain A and (resid 2 through 9 or resid 11...A133 - 134
1141(chain A and (resid 2 through 9 or resid 11...A1 - 203
1151(chain A and (resid 2 through 9 or resid 11...A156 - 157
1161(chain A and (resid 2 through 9 or resid 11...A1 - 203
1171(chain A and (resid 2 through 9 or resid 11...A159 - 164
211(chain B and (resid 2 through 9 or resid 11...B2 - 9
221(chain B and (resid 2 through 9 or resid 11...B11 - 17
231(chain B and (resid 2 through 9 or resid 11...B19 - 57
241(chain B and (resid 2 through 9 or resid 11...B62 - 65
251(chain B and (resid 2 through 9 or resid 11...B67 - 68
261(chain B and (resid 2 through 9 or resid 11...B70 - 75
271(chain B and (resid 2 through 9 or resid 11...B77 - 80
281(chain B and (resid 2 through 9 or resid 11...B82 - 85
291(chain B and (resid 2 through 9 or resid 11...B87 - 93
2101(chain B and (resid 2 through 9 or resid 11...B95 - 110
2111(chain B and (resid 2 through 9 or resid 11...B113 - 122
2121(chain B and (resid 2 through 9 or resid 11...B124 - 130
2131(chain B and (resid 2 through 9 or resid 11...B133 - 134
2141(chain B and (resid 2 through 9 or resid 11...B136 - 143
2151(chain B and (resid 2 through 9 or resid 11...B145 - 154
2161(chain B and (resid 2 through 9 or resid 11...B156 - 157
2171(chain B and (resid 2 through 9 or resid 11...B159 - 164
311(chain C and (resid 2 through 9 or resid 11...C2 - 9
321(chain C and (resid 2 through 9 or resid 11...C11 - 17
331(chain C and (resid 2 through 9 or resid 11...C19 - 57
341(chain C and (resid 2 through 9 or resid 11...C65
351(chain C and (resid 2 through 9 or resid 11...C67 - 68
361(chain C and (resid 2 through 9 or resid 11...C70 - 75
371(chain C and (resid 2 through 9 or resid 11...C77 - 80
381(chain C and (resid 2 through 9 or resid 11...C82 - 85
391(chain C and (resid 2 through 9 or resid 11...C87 - 93
3101(chain C and (resid 2 through 9 or resid 11...C1 - 164
3111(chain C and (resid 2 through 9 or resid 11...C1 - 164
3121(chain C and (resid 2 through 9 or resid 11...C133 - 134
3131(chain C and (resid 2 through 9 or resid 11...C156 - 154
3141(chain C and (resid 2 through 9 or resid 11...C156 - 157
3151(chain C and (resid 2 through 9 or resid 11...C159 - 164
411(chain D and (resid 2 through 9 or resid 11...D2 - 9
421(chain D and (resid 2 through 9 or resid 11...D11 - 17
431(chain D and (resid 2 through 9 or resid 11...D19 - 57
441(chain D and (resid 2 through 9 or resid 11...D59 - 60
451(chain D and (resid 2 through 9 or resid 11...D65
461(chain D and (resid 2 through 9 or resid 11...D67 - 68
471(chain D and (resid 2 through 9 or resid 11...D70 - 75
481(chain D and (resid 2 through 9 or resid 11...D77 - 80
491(chain D and (resid 2 through 9 or resid 11...D82 - 85
4101(chain D and (resid 2 through 9 or resid 11...D87 - 93
4111(chain D and (resid 2 through 9 or resid 11...D1 - 201
4121(chain D and (resid 2 through 9 or resid 11...D1 - 201
4131(chain D and (resid 2 through 9 or resid 11...D133 - 134
4141(chain D and (resid 2 through 9 or resid 11...D156 - 154
4151(chain D and (resid 2 through 9 or resid 11...D156 - 157
4161(chain D and (resid 2 through 9 or resid 11...D159 - 164
511(chain E and (resid 2 through 9 or resid 11...E2 - 9
521(chain E and (resid 2 through 9 or resid 11...E11 - 17
531(chain E and (resid 2 through 9 or resid 11...E19 - 57
541(chain E and (resid 2 through 9 or resid 11...E59 - 60
551(chain E and (resid 2 through 9 or resid 11...E65
561(chain E and (resid 2 through 9 or resid 11...E67 - 68
571(chain E and (resid 2 through 9 or resid 11...E70 - 75
581(chain E and (resid 2 through 9 or resid 11...E77 - 80
591(chain E and (resid 2 through 9 or resid 11...E82 - 85
5101(chain E and (resid 2 through 9 or resid 11...E87 - 93
5111(chain E and (resid 2 through 9 or resid 11...E1 - 202
5121(chain E and (resid 2 through 9 or resid 11...E1 - 202
5131(chain E and (resid 2 through 9 or resid 11...E133 - 134
5141(chain E and (resid 2 through 9 or resid 11...E156 - 154
5151(chain E and (resid 2 through 9 or resid 11...E156 - 157
5161(chain E and (resid 2 through 9 or resid 11...E159 - 164
611(chain F and (resid 2 through 9 or resid 11...F2 - 9
621(chain F and (resid 2 through 9 or resid 11...F11 - 17
631(chain F and (resid 2 through 9 or resid 11...F19 - 57
641(chain F and (resid 2 through 9 or resid 11...F59 - 60
651(chain F and (resid 2 through 9 or resid 11...F65
661(chain F and (resid 2 through 9 or resid 11...F67 - 68
671(chain F and (resid 2 through 9 or resid 11...F70 - 75
681(chain F and (resid 2 through 9 or resid 11...F77 - 80
691(chain F and (resid 2 through 9 or resid 11...F82 - 85
6101(chain F and (resid 2 through 9 or resid 11...F87 - 93
6111(chain F and (resid 2 through 9 or resid 11...F1 - 201
6121(chain F and (resid 2 through 9 or resid 11...F1 - 201
6131(chain F and (resid 2 through 9 or resid 11...F133 - 134
6141(chain F and (resid 2 through 9 or resid 11...F156 - 154
6151(chain F and (resid 2 through 9 or resid 11...F156 - 157
6161(chain F and (resid 2 through 9 or resid 11...F159 - 164
711(chain G and (resid 2 through 9 or resid 11...G2 - 9
721(chain G and (resid 2 through 9 or resid 11...G11 - 17
731(chain G and (resid 2 through 9 or resid 11...G19 - 57
741(chain G and (resid 2 through 9 or resid 11...G65
751(chain G and (resid 2 through 9 or resid 11...G67 - 68
761(chain G and (resid 2 through 9 or resid 11...G70 - 75
771(chain G and (resid 2 through 9 or resid 11...G77 - 80
781(chain G and (resid 2 through 9 or resid 11...G82 - 85
791(chain G and (resid 2 through 9 or resid 11...G87 - 93
7101(chain G and (resid 2 through 9 or resid 11...G1 - 201
7111(chain G and (resid 2 through 9 or resid 11...G1 - 201
7121(chain G and (resid 2 through 9 or resid 11...G133 - 134
7131(chain G and (resid 2 through 9 or resid 11...G156 - 154
7141(chain G and (resid 2 through 9 or resid 11...G156 - 157
7151(chain G and (resid 2 through 9 or resid 11...G159 - 164
811(chain H and (resid 2 through 9 or resid 11...H2 - 9
821(chain H and (resid 2 through 9 or resid 11...H11 - 17
831(chain H and (resid 2 through 9 or resid 11...H1 - 201
841(chain H and (resid 2 through 9 or resid 11...H0
851(chain H and (resid 2 through 9 or resid 11...H67 - 68
861(chain H and (resid 2 through 9 or resid 11...H70 - 75
871(chain H and (resid 2 through 9 or resid 11...H1 - 201
881(chain H and (resid 2 through 9 or resid 11...H0
891(chain H and (resid 2 through 9 or resid 11...H87 - 93
8101(chain H and (resid 2 through 9 or resid 11...H1 - 201
8111(chain H and (resid 2 through 9 or resid 11...H1133 - 134
8121(chain H and (resid 2 through 9 or resid 11...H133 - 134
8131(chain H and (resid 2 through 9 or resid 11...H145 - 154
8141(chain H and (resid 2 through 9 or resid 11...H156 - 157
8151(chain H and (resid 2 through 9 or resid 11...H159 - 164

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Components

#1: Protein
Ferritin


Mass: 19429.920 Da / Num. of mol.: 8 / Mutation: E65R
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
#2: Chemical...
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 24 / Source method: obtained synthetically / Formula: SO4
#3: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 13 / Source method: obtained synthetically / Formula: C3H8O3
#4: Chemical
ChemComp-LFA / EICOSANE / LIPID FRAGMENT


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


Mass: 18.015 Da / Num. of mol.: 308 / Source method: isolated from a natural source / Formula: H2O
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: 3.4 Å3/Da / Density % sol: 63.85 %
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 in 1:1 ratio.

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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: May 18, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9184 Å / Relative weight: 1
ReflectionResolution: 2.198→47.979 Å / Num. obs: 107042 / % possible obs: 99.8 % / Redundancy: 10.24 % / Biso Wilson estimate: 47.179 Å2 / CC1/2: 0.996 / Rmerge(I) obs: 0.216 / Rrim(I) all: 0.228 / Χ2: 1.048 / Net I/σ(I): 7.52
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
2.2-2.339.8582.1510.8316810117179170520.4032.26999.3
2.33-2.4910.6151.4011.4517151016158161580.6281.472100
2.49-2.6910.280.912.2915482715061150610.810.958100
2.69-2.9510.110.5214.0614030913890138780.9220.54999.9
2.95-3.2910.5570.37.1713300712599125990.9750.315100
3.29-3.810.0290.15712.9511171211157111390.9910.16599.8
3.8-4.6510.6230.10519.49100666947794760.9950.111100
4.65-6.549.9720.10219.4973839741074050.9960.10799.9
6.54-47.9799.8640.07626.3142148429442730.9970.0899.5

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Phasing

PhasingMethod: molecular replacement
Phasing MR
Highest resolutionLowest resolution
Rotation7.83 Å49.01 Å

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Processing

Software
NameVersionClassification
XSCALEdata scaling
PHASER2.8.3phasing
PHENIX1.15refinement
PDB_EXTRACT3.25data extraction
XDSdata reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1vlg

1vlg


Resolution: 2.198→47.979 Å / SU ML: 0.37 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 27.94
RfactorNum. reflection% reflection
Rfree0.2433 2100 1.96 %
Rwork0.2039 --
obs0.2047 106996 99.8 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 180.15 Å2 / Biso mean: 62.7003 Å2 / Biso min: 35.38 Å2
Refinement stepCycle: final / Resolution: 2.198→47.979 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10952 0 278 308 11538
Biso mean--97.09 63.87 -
Num. residues----1312
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A3064X-RAY DIFFRACTION5.367TORSIONAL
12B3064X-RAY DIFFRACTION5.367TORSIONAL
13C3064X-RAY DIFFRACTION5.367TORSIONAL
14D3064X-RAY DIFFRACTION5.367TORSIONAL
15E3064X-RAY DIFFRACTION5.367TORSIONAL
16F3064X-RAY DIFFRACTION5.367TORSIONAL
17G3064X-RAY DIFFRACTION5.367TORSIONAL
18H3064X-RAY DIFFRACTION5.367TORSIONAL
LS refinement shell

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

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
2.1982-2.24940.40251370.3713680998
2.2494-2.30560.42561380.33316918100
2.3056-2.3680.31551400.29866962100
2.368-2.43760.30421390.28386961100
2.4376-2.51630.33951390.29136954100
2.5163-2.60630.321400.27476957100
2.6063-2.71060.32291390.26446975100
2.7106-2.83390.30421400.24696969100
2.8339-2.98330.28411400.23356995100
2.9833-3.17020.24841390.23346966100
3.1702-3.41490.23841400.20317006100
3.4149-3.75850.23791410.18467008100
3.7585-4.3020.18161410.16727053100
4.302-5.41890.2081420.1567090100
5.4189-47.9790.21711450.17877273100
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)
15.7491-0.46391.99780.7189-0.02221.5214-0.11390.2448-0.0024-0.01980.0285-0.09420.05650.2320.01490.47360.03960.01930.4251-0.01980.507729.395577.2556108.6864
25.65781.97681.09112.3739-0.10080.38750.2016-0.34480.31220.1965-0.29420.20740.0699-0.06790.05790.4578-0.00260.02910.4246-0.05050.458722.485479.8765114.3773
31.1026-0.34430.30540.07040.1530.50920.099-0.0031-0.33410.0207-0.0557-0.15070.20810.0838-0.03940.5140.0341-0.01570.4281-0.0170.530929.221770.6596109.9632
47.00513.56942.33472.05031.66461.581300.00720.52780.1119-0.07740.27970.1269-0.01680.02640.5350.0066-0.02770.39590.01040.459824.083768.3392120.8183
54.49583.09170.91657.81161.2382.7650.6122-1.10750.28740.737-0.88890.3634-0.3373-0.63630.2110.6355-0.06820.09410.6856-0.01570.53693.34768.4274116.2776
63.95820.22052.44390.36810.00782.62580.06220.0451-0.1084-0.0562-0.04560.0279-0.0288-0.0468-0.01240.4550.00810.01250.4305-0.00130.532418.784287.73898.0376
75.21651.99622.10142.56010.53011.3840.1654-0.60010.62180.211-0.26710.32080.1446-0.20820.13040.42850.02540.09090.4144-0.05050.528518.276591.6792106.7988
81.774-0.4980.33180.5754-0.27460.7233-0.0674-0.04510.2441-0.0709-0.0339-0.1281-0.12420.16460.10080.39710.00090.02370.4090.00150.529521.248399.3368100.7415
91.72452.13350.07555.99930.38330.47440.1264-0.2706-0.0421-0.1464-0.2321-0.47940.00170.24890.01550.40650.0121-0.09330.5913-0.00010.46953.6754100.6072152.9794
100.40481.6259-0.37274.9401-1.13431.6572-0.0073-0.15670.044-0.2190.20950.56150.0556-0.111-0.23640.38170.0196-0.08810.59180.04220.527744.29997.4557153.696
110.84780.3266-0.03611.19110.6790.41330.0773-0.1309-0.11420.1876-0.0887-0.20530.06190.09140.01240.4810.0066-0.1060.6396-0.01130.567354.8697101.4898159.3612
120.20461.3648-0.455.5144-1.34952.03170.0699-0.01970.16630.16470.06760.56710.1072-0.3825-0.01240.5-0.0277-0.02980.6766-0.04460.552844.4052102.3929165.9233
133.6534-0.73250.10643.1187-4.10336.62750.2760.0388-0.12770.75520.28271.4824-0.2913-0.7766-0.68640.6904-0.13960.03090.6745-0.06330.789335.722683.3136167.1041
140.29870.4320.27624.7386-0.26181.31170.0568-0.0713-0.16480.18320.04420.12730.04510.1686-0.06940.39910.0492-0.04610.54820.03450.573351.83586.9629141.1062
150.73790.4979-0.03911.09180.15780.87930.0114-0.00430.0034-0.11690.022-0.06280.01690.1073-0.04520.44320.0215-0.05580.51470.03840.556247.302188.1909134.5444
162.52390.5241-0.9745.3329-2.25736.02220.2472-0.08370.3673-0.45430.47360.9624-0.1564-0.5275-0.61810.754-0.0029-0.18470.49610.14620.839440.396108.6522126.4362
170.327-0.05990.16180.2171-0.7863.79170.03760.0094-0.11720.04750.1398-0.0774-0.26710.1293-0.12610.4925-0.0822-0.00410.56350.00110.579739.4724138.721152.0195
180.1011-0.40.36070.62471.01427.92790.0004-0.01480.01840.0659-0.01420.03980.7721-0.8520.02340.4993-0.14060.02310.5157-0.00810.579333.4384132.2952148.2188
190.2293-0.28810.37020.4748-0.6080.810.001-0.04570.0568-0.02050.0116-0.08060.10260.13310.00610.4743-0.1073-0.00280.52220.02890.51544.2272130.9442149.4151
207.5691-1.4876-4.32213.26661.0252.8429-0.07480.4433-0.33180.2528-0.16980.02961.5323-0.58970.19950.7855-0.1251-0.04310.57590.00920.562635.9012122.8315128.3296
211.2584-0.34260.77790.987-0.85754.21470.0941-0.05980.18790.18620.12990.0354-0.0969-0.0298-0.23210.4828-0.0643-0.00010.4423-0.0680.591627.1432148.5918143.165
220.9571-0.3299-1.09280.2516-0.74135.4696-0.0125-0.0648-0.04770.0444-0.12120.05380.2149-0.61770.19430.4665-0.12250.00590.5636-0.06840.589322.0868141.094146.3547
231.161-0.16740.40980.5921-0.6441.1193-0.0434-0.05740.32970.07360.0325-0.1142-0.3766-0.07280.05260.5386-0.0862-0.02750.4871-0.10050.625123.0537153.25143.8984
240.9737-0.0552-0.85860.9329-0.31561.8196-0.3984-0.3464-0.07290.1162-0.13530.01190.74990.20930.30060.4970.0017-0.00740.5711-0.07880.540811.7531149.1417146.4515
255.0028-1.4621-2.20743.007-1.81873.2978-0.2705-0.2680.1750.36040.09330.17780.4957-1.05780.24450.6711-0.06690.0441.0384-0.0640.52612.3916141.6771166.1888
265.3899-1.6297-2.03241.34210.64221.5802-0.2685-0.11190.29170.28010.1098-0.18120.10260.16920.2310.5999-0.0596-0.08750.5664-0.01640.41334.5789116.9458185.8877
273.021-2.2296-1.89772.15231.0471.40010.29740.13770.0137-0.2691-0.34290.0426-0.1297-0.01950.06430.577-0.0566-0.09420.5714-0.04470.469230.2704114.1245181.5909
281.8091-0.7792-0.89750.2370.51191.46680.1072-0.08230.47630.1794-0.0302-0.3232-0.30180.1116-0.07290.6586-0.0571-0.0560.6259-0.10380.524336.5839125.9091183.5104
294.1831-2.8411-1.04863.09850.82180.7880.1418-0.1431-0.229-0.03220.05570.4056-0.22720.04-0.21350.6196-0.0481-0.00930.57870.0060.498632.5611126.5379173.5824
303.0079-1.1325-0.72982.9452-0.2292.37290.56840.65410.0284-0.9019-0.66580.7036-0.1985-0.02710.02550.78430.149-0.04570.879-0.03540.60512.8455132.8092178.376
312.6282-0.2194-1.69711.49950.41142.1946-0.1556-0.3282-0.01330.3640.0371-0.03730.28440.08490.10630.58840.0103-0.06360.68710.03160.426822.0854109.6434196.6597
322.4117-1.5084-1.35593.13080.83640.605-0.2086-0.0403-0.3577-0.0620.06540.2443-0.0344-0.05570.09690.6539-0.0293-0.09270.6735-0.01490.462520.5408109.0231189.947
332.92691.16682.28570.50420.71693.6052-0.1976-1.0365-0.52390.6476-0.0018-0.036-0.26810.42240.32570.79720.0749-0.02580.89740.13680.619836.3916100.5985195.1064
343.1328-2.0693-1.29423.41630.67772.5195-0.095-0.1643-0.23410.2382-0.1885-0.15670.13350.18160.270.552-0.0561-0.05110.60650.07460.480617.6934100.5399201.6397
352.7984-2.7477-0.88844.10811.46690.64940.31620.027-0.0728-0.6297-0.2301-0.2663-0.1592-0.0193-0.07760.67740.02260.02570.67980.12430.554415.195195.4429193.5866
363.649-0.567-1.68856.13230.1874.3955-0.3736-0.3982-1.0677-1.10110.09260.18690.7301-0.04480.4830.9375-0.07080.2340.7341-0.08120.899128.620586.7707180.1348
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 66 )A36 - 66
3X-RAY DIFFRACTION3chain 'A' and (resid 67 through 115 )A67 - 115
4X-RAY DIFFRACTION4chain 'A' and (resid 116 through 146 )A116 - 146
5X-RAY DIFFRACTION5chain 'A' and (resid 147 through 164 )A147 - 164
6X-RAY DIFFRACTION6chain 'B' and (resid 1 through 35 )B1 - 35
7X-RAY DIFFRACTION7chain 'B' and (resid 36 through 66 )B36 - 66
8X-RAY DIFFRACTION8chain 'B' and (resid 67 through 164 )B67 - 164
9X-RAY DIFFRACTION9chain 'C' and (resid 1 through 35 )C1 - 35
10X-RAY DIFFRACTION10chain 'C' and (resid 36 through 65 )C36 - 65
11X-RAY DIFFRACTION11chain 'C' and (resid 66 through 115 )C66 - 115
12X-RAY DIFFRACTION12chain 'C' and (resid 116 through 146 )C116 - 146
13X-RAY DIFFRACTION13chain 'C' and (resid 147 through 164 )C147 - 164
14X-RAY DIFFRACTION14chain 'D' and (resid 1 through 35 )D1 - 35
15X-RAY DIFFRACTION15chain 'D' and (resid 36 through 146 )D36 - 146
16X-RAY DIFFRACTION16chain 'D' and (resid 147 through 164 )D147 - 164
17X-RAY DIFFRACTION17chain 'E' and (resid 1 through 35 )E1 - 35
18X-RAY DIFFRACTION18chain 'E' and (resid 36 through 66 )E36 - 66
19X-RAY DIFFRACTION19chain 'E' and (resid 67 through 146 )E67 - 146
20X-RAY DIFFRACTION20chain 'E' and (resid 147 through 164 )E147 - 164
21X-RAY DIFFRACTION21chain 'F' and (resid 1 through 36 )F1 - 36
22X-RAY DIFFRACTION22chain 'F' and (resid 37 through 65 )F37 - 65
23X-RAY DIFFRACTION23chain 'F' and (resid 66 through 115 )F66 - 115
24X-RAY DIFFRACTION24chain 'F' and (resid 116 through 146 )F116 - 146
25X-RAY DIFFRACTION25chain 'F' and (resid 147 through 164 )F147 - 164
26X-RAY DIFFRACTION26chain 'G' and (resid 1 through 36 )G1 - 36
27X-RAY DIFFRACTION27chain 'G' and (resid 37 through 75 )G37 - 75
28X-RAY DIFFRACTION28chain 'G' and (resid 76 through 115 )G76 - 115
29X-RAY DIFFRACTION29chain 'G' and (resid 116 through 146 )G116 - 146
30X-RAY DIFFRACTION30chain 'G' and (resid 147 through 164 )G147 - 164
31X-RAY DIFFRACTION31chain 'H' and (resid 1 through 35 )H1 - 35
32X-RAY DIFFRACTION32chain 'H' and (resid 36 through 75 )H36 - 75
33X-RAY DIFFRACTION33chain 'H' and (resid 76 through 84 )H76 - 84
34X-RAY DIFFRACTION34chain 'H' and (resid 85 through 115 )H85 - 115
35X-RAY DIFFRACTION35chain 'H' and (resid 116 through 146 )H116 - 146
36X-RAY DIFFRACTION36chain 'H' and (resid 147 through 164 )H147 - 164

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