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- PDB-7ke5: Heavy chain ferritin with N-terminal EBNA1 epitope -

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Basic information

Entry
Database: PDB / ID: 7ke5
TitleHeavy chain ferritin with N-terminal EBNA1 epitope
ComponentsEpstein-Barr nuclear antigen 1,Ferritin heavy chain
KeywordsOXIDOREDUCTASE / Protein nanocage / vaccine / virus like particle
Function / homology
Function and homology information


host cell PML body / viral latency / Hydrolases; Acting on ester bonds; Endodeoxyribonucleases producing 5'-phosphomonoesters / iron ion sequestering activity / ferritin complex / symbiont-mediated disruption of host cell PML body / Scavenging by Class A Receptors / negative regulation of ferroptosis / Golgi Associated Vesicle Biogenesis / ferroxidase ...host cell PML body / viral latency / Hydrolases; Acting on ester bonds; Endodeoxyribonucleases producing 5'-phosphomonoesters / iron ion sequestering activity / ferritin complex / symbiont-mediated disruption of host cell PML body / Scavenging by Class A Receptors / negative regulation of ferroptosis / Golgi Associated Vesicle Biogenesis / ferroxidase / autolysosome / ferroxidase activity / regulation of DNA replication / enzyme-substrate adaptor activity / negative regulation of fibroblast proliferation / ferric iron binding / autophagosome / iron ion transport / Iron uptake and transport / ferrous iron binding / tertiary granule lumen / endonuclease activity / symbiont-mediated suppression of host NF-kappaB cascade / ficolin-1-rich granule lumen / intracellular iron ion homeostasis / immune response / iron ion binding / DNA-binding transcription factor activity / negative regulation of cell population proliferation / Neutrophil degranulation / positive regulation of DNA-templated transcription / DNA binding / extracellular exosome / extracellular region / identical protein binding / nucleus / cytoplasm / cytosol
Similarity search - Function
Epstein Barr virus nuclear antigen-1, DNA-binding / Epstein Barr virus nuclear antigen-1, DNA-binding domain / Epstein Barr virus nuclear antigen-1, DNA-binding domain superfamily / E2/EBNA1, C-terminal / Ferritin iron-binding regions signature 1. / Ferritin iron-binding regions signature 2. / Ferritin, conserved site / Ferritin / Ferritin-like diiron domain / Ferritin-like diiron domain profile. ...Epstein Barr virus nuclear antigen-1, DNA-binding / Epstein Barr virus nuclear antigen-1, DNA-binding domain / Epstein Barr virus nuclear antigen-1, DNA-binding domain superfamily / E2/EBNA1, C-terminal / Ferritin iron-binding regions signature 1. / Ferritin iron-binding regions signature 2. / Ferritin, conserved site / 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
: / Ferritin heavy chain / Epstein-Barr nuclear antigen 1
Similarity search - Component
Biological speciesEpstein-Barr virus (Epstein-Barr virus)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.8 Å
AuthorsPederick, J.P. / Bruning, J.B.
CitationJournal: Vaccine / Year: 2021
Title: Immunogenicity study of engineered ferritins with C- and N-terminus insertion of Epstein-Barr nuclear antigen 1 epitope.
Authors: Qu, Y. / Zhang, B. / Wang, Y. / Yin, S. / Pederick, J.L. / Bruning, J.B. / Sun, Y. / Middelberg, A. / Bi, J.
History
DepositionOct 10, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 1, 2021Provider: repository / Type: Initial release
Revision 1.1Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
B: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
C: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
D: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
E: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
F: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
G: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
H: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
I: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
J: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
K: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
L: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)283,75734
Polymers282,13112
Non-polymers1,62622
Water63135
1
A: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
B: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
C: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
D: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
E: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
F: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
G: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
H: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
I: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
J: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
K: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
L: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
hetero molecules

A: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
B: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
C: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
D: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
E: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
F: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
G: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
H: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
I: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
J: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
K: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
L: Epstein-Barr nuclear antigen 1,Ferritin heavy chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)567,51468
Polymers564,26124
Non-polymers3,25344
Water39622
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation8_777-y+2,-x+2,-z+21
Buried area94740 Å2
ΔGint-382 kcal/mol
Surface area139480 Å2
MethodPISA
Unit cell
Length a, b, c (Å)219.323, 219.323, 148.556
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number94
Space group name H-MP42212
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 5 through 13 or resid 15...
21(chain B and (resid 5 through 13 or resid 15...
31(chain C and (resid 5 through 13 or resid 15...
41(chain D and (resid 5 through 13 or resid 15...
51(chain E and (resid 5 through 13 or resid 15...
61(chain F and (resid 5 through 13 or resid 15...
71(chain G and (resid 5 through 13 or resid 15...
81(chain H and (resid 5 through 13 or resid 15...
91(chain I and (resid 5 through 13 or resid 15...
101(chain J and (resid 5 through 13 or resid 15...
111(chain K and (resid 5 through 13 or resid 15...
121(chain L and (resid 5 through 13 or resid 15...

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11THRTHRHISHIS(chain A and (resid 5 through 13 or resid 15...AA5 - 1332 - 40
12ASPASPALAALA(chain A and (resid 5 through 13 or resid 15...AA15 - 5242 - 79
13THRTHRGLYGLY(chain A and (resid 5 through 13 or resid 15...AA5 - 17632 - 203
14GLNGLNGLNGLN(chain A and (resid 5 through 13 or resid 15...AA5885
15THRTHRGLYGLY(chain A and (resid 5 through 13 or resid 15...AA5 - 17632 - 203
16THRTHRGLYGLY(chain A and (resid 5 through 13 or resid 15...AA5 - 17632 - 203
17THRTHRGLYGLY(chain A and (resid 5 through 13 or resid 15...AA5 - 17632 - 203
18THRTHRGLYGLY(chain A and (resid 5 through 13 or resid 15...AA5 - 17632 - 203
19THRTHRGLYGLY(chain A and (resid 5 through 13 or resid 15...AA5 - 17632 - 203
21THRTHRHISHIS(chain B and (resid 5 through 13 or resid 15...BB5 - 1332 - 40
22ASPASPASNASN(chain B and (resid 5 through 13 or resid 15...BB15 - 2142 - 48
23ARGARGARGARG(chain B and (resid 5 through 13 or resid 15...BB2249
24THRTHRGLYGLY(chain B and (resid 5 through 13 or resid 15...BB5 - 17632 - 203
25THRTHRGLYGLY(chain B and (resid 5 through 13 or resid 15...BB5 - 17632 - 203
26THRTHRGLYGLY(chain B and (resid 5 through 13 or resid 15...BB5 - 17632 - 203
27THRTHRGLYGLY(chain B and (resid 5 through 13 or resid 15...BB5 - 17632 - 203
31THRTHRHISHIS(chain C and (resid 5 through 13 or resid 15...CC5 - 1332 - 40
32ASPASPASNASN(chain C and (resid 5 through 13 or resid 15...CC15 - 2142 - 48
33THRTHRGLYGLY(chain C and (resid 5 through 13 or resid 15...CC5 - 17632 - 203
34THRTHRGLYGLY(chain C and (resid 5 through 13 or resid 15...CC5 - 17632 - 203
35THRTHRGLYGLY(chain C and (resid 5 through 13 or resid 15...CC5 - 17632 - 203
36THRTHRGLYGLY(chain C and (resid 5 through 13 or resid 15...CC5 - 17632 - 203
37THRTHRGLYGLY(chain C and (resid 5 through 13 or resid 15...CC5 - 17632 - 203
38THRTHRGLYGLY(chain C and (resid 5 through 13 or resid 15...CC5 - 17632 - 203
41THRTHRHISHIS(chain D and (resid 5 through 13 or resid 15...DD5 - 1332 - 40
42ASPASPASNASN(chain D and (resid 5 through 13 or resid 15...DD15 - 2142 - 48
43ARGARGARGARG(chain D and (resid 5 through 13 or resid 15...DD2249
44THRTHRGLYGLY(chain D and (resid 5 through 13 or resid 15...DD5 - 17632 - 203
45THRTHRGLYGLY(chain D and (resid 5 through 13 or resid 15...DD5 - 17632 - 203
46THRTHRGLYGLY(chain D and (resid 5 through 13 or resid 15...DD5 - 17632 - 203
47THRTHRGLYGLY(chain D and (resid 5 through 13 or resid 15...DD5 - 17632 - 203
51THRTHRHISHIS(chain E and (resid 5 through 13 or resid 15...EE5 - 1332 - 40
52ASPASPASNASN(chain E and (resid 5 through 13 or resid 15...EE15 - 2142 - 48
53ARGARGARGARG(chain E and (resid 5 through 13 or resid 15...EE2249
54THRTHRGLYGLY(chain E and (resid 5 through 13 or resid 15...EE5 - 17632 - 203
55THRTHRGLYGLY(chain E and (resid 5 through 13 or resid 15...EE5 - 17632 - 203
56THRTHRGLYGLY(chain E and (resid 5 through 13 or resid 15...EE5 - 17632 - 203
57THRTHRGLYGLY(chain E and (resid 5 through 13 or resid 15...EE5 - 17632 - 203
61THRTHRHISHIS(chain F and (resid 5 through 13 or resid 15...FF5 - 1332 - 40
62ASPASPASNASN(chain F and (resid 5 through 13 or resid 15...FF15 - 2142 - 48
63ARGARGARGARG(chain F and (resid 5 through 13 or resid 15...FF2249
64THRTHRGLYGLY(chain F and (resid 5 through 13 or resid 15...FF5 - 17632 - 203
65THRTHRGLYGLY(chain F and (resid 5 through 13 or resid 15...FF5 - 17632 - 203
66THRTHRGLYGLY(chain F and (resid 5 through 13 or resid 15...FF5 - 17632 - 203
67THRTHRGLYGLY(chain F and (resid 5 through 13 or resid 15...FF5 - 17632 - 203
71THRTHRHISHIS(chain G and (resid 5 through 13 or resid 15...GG5 - 1332 - 40
72ASPASPASNASN(chain G and (resid 5 through 13 or resid 15...GG15 - 2142 - 48
73ARGARGARGARG(chain G and (resid 5 through 13 or resid 15...GG2249
74THRTHRGLYGLY(chain G and (resid 5 through 13 or resid 15...GG5 - 17632 - 203
75THRTHRGLYGLY(chain G and (resid 5 through 13 or resid 15...GG5 - 17632 - 203
76THRTHRGLYGLY(chain G and (resid 5 through 13 or resid 15...GG5 - 17632 - 203
77THRTHRGLYGLY(chain G and (resid 5 through 13 or resid 15...GG5 - 17632 - 203
81THRTHRHISHIS(chain H and (resid 5 through 13 or resid 15...HH5 - 1332 - 40
82ASPASPASNASN(chain H and (resid 5 through 13 or resid 15...HH15 - 2142 - 48
83THRTHRGLYGLY(chain H and (resid 5 through 13 or resid 15...HH5 - 17632 - 203
84THRTHRGLYGLY(chain H and (resid 5 through 13 or resid 15...HH5 - 17632 - 203
85THRTHRGLYGLY(chain H and (resid 5 through 13 or resid 15...HH5 - 17632 - 203
86THRTHRGLYGLY(chain H and (resid 5 through 13 or resid 15...HH5 - 17632 - 203
87THRTHRGLYGLY(chain H and (resid 5 through 13 or resid 15...HH5 - 17632 - 203
88THRTHRGLYGLY(chain H and (resid 5 through 13 or resid 15...HH5 - 17632 - 203
91THRTHRHISHIS(chain I and (resid 5 through 13 or resid 15...II5 - 1332 - 40
92ASPASPASNASN(chain I and (resid 5 through 13 or resid 15...II15 - 2142 - 48
93THRTHRGLYGLY(chain I and (resid 5 through 13 or resid 15...II5 - 17632 - 203
94THRTHRGLYGLY(chain I and (resid 5 through 13 or resid 15...II5 - 17632 - 203
95THRTHRGLYGLY(chain I and (resid 5 through 13 or resid 15...II5 - 17632 - 203
96THRTHRGLYGLY(chain I and (resid 5 through 13 or resid 15...II5 - 17632 - 203
97THRTHRGLYGLY(chain I and (resid 5 through 13 or resid 15...II5 - 17632 - 203
98THRTHRGLYGLY(chain I and (resid 5 through 13 or resid 15...II5 - 17632 - 203
101THRTHRHISHIS(chain J and (resid 5 through 13 or resid 15...JJ5 - 1332 - 40
102ASPASPASNASN(chain J and (resid 5 through 13 or resid 15...JJ15 - 2142 - 48
103ARGARGARGARG(chain J and (resid 5 through 13 or resid 15...JJ2249
104THRTHRGLYGLY(chain J and (resid 5 through 13 or resid 15...JJ5 - 17632 - 203
105THRTHRGLYGLY(chain J and (resid 5 through 13 or resid 15...JJ5 - 17632 - 203
106THRTHRGLYGLY(chain J and (resid 5 through 13 or resid 15...JJ5 - 17632 - 203
107THRTHRGLYGLY(chain J and (resid 5 through 13 or resid 15...JJ5 - 17632 - 203
111THRTHRHISHIS(chain K and (resid 5 through 13 or resid 15...KK5 - 1332 - 40
112ASPASPASNASN(chain K and (resid 5 through 13 or resid 15...KK15 - 2142 - 48
113ARGARGARGARG(chain K and (resid 5 through 13 or resid 15...KK2249
114THRTHRGLYGLY(chain K and (resid 5 through 13 or resid 15...KK5 - 17632 - 203
115THRTHRGLYGLY(chain K and (resid 5 through 13 or resid 15...KK5 - 17632 - 203
116THRTHRGLYGLY(chain K and (resid 5 through 13 or resid 15...KK5 - 17632 - 203
117THRTHRGLYGLY(chain K and (resid 5 through 13 or resid 15...KK5 - 17632 - 203
121THRTHRHISHIS(chain L and (resid 5 through 13 or resid 15...LL5 - 1332 - 40
122ASPASPASNASN(chain L and (resid 5 through 13 or resid 15...LL15 - 2142 - 48
123ARGARGARGARG(chain L and (resid 5 through 13 or resid 15...LL2249
124THRTHRGLYGLY(chain L and (resid 5 through 13 or resid 15...LL5 - 17632 - 203
125THRTHRGLYGLY(chain L and (resid 5 through 13 or resid 15...LL5 - 17632 - 203
126THRTHRGLYGLY(chain L and (resid 5 through 13 or resid 15...LL5 - 17632 - 203
127THRTHRGLYGLY(chain L and (resid 5 through 13 or resid 15...LL5 - 17632 - 203

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Components

#1: Protein
Epstein-Barr nuclear antigen 1,Ferritin heavy chain / EBV nuclear antigen 1 / Ferritin H subunit / Cell proliferation-inducing gene 15 protein


Mass: 23510.877 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Epstein-Barr virus (strain B95-8) (Epstein-Barr virus (strain B95-8)), (gene. exp.) Homo sapiens (human)
Strain: B95-8 / Gene: EBNA1, BKRF1, FTH1, FTH, FTHL6, OK/SW-cl.84, PIG15 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P03211, UniProt: P02794, ferroxidase
#2: Chemical
ChemComp-TRS / 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / TRIS BUFFER


Mass: 122.143 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C4H12NO3 / Comment: pH buffer*YM
#3: Chemical
ChemComp-FE / FE (III) ION


Mass: 55.845 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: Fe
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 35 / 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: 3.17 Å3/Da / Density % sol: 61.15 %
Crystal growTemperature: 289.15 K / Method: vapor diffusion, sitting drop / pH: 7
Details: 0.1M ammonium citrate tribasic pH 7.0, 12% PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX1 / Wavelength: 0.9537 Å
DetectorType: DECTRIS EIGER2 X 9M / Detector: PIXEL / Date: Sep 21, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9537 Å / Relative weight: 1
ReflectionResolution: 2.8→48.82 Å / Num. obs: 85483 / % possible obs: 95.9 % / Redundancy: 20.7 % / CC1/2: 0.998 / Rmerge(I) obs: 0.252 / Rpim(I) all: 0.056 / Rrim(I) all: 0.259 / Net I/σ(I): 7.9 / Num. measured all: 1766865 / Scaling rejects: 44
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. measured allNum. unique obsCC1/2Rpim(I) allRrim(I) allNet I/σ(I) obs% possible all
2.8-2.8515.60.8986650842600.9750.2280.9282.691.6
14.82-48.8224.10.078165276860.9970.0170.0820.396.8

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Phasing

PhasingMethod: molecular replacement
Phasing MR
Highest resolutionLowest resolution
Rotation8.36 Å48.82 Å
Translation8.36 Å48.82 Å

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Processing

Software
NameVersionClassification
XDSdata reduction
Aimless0.7.4data scaling
PHASER2.8.3phasing
PHENIX1.18.2-3874refinement
PDB_EXTRACT3.25data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6J4A

6j4a


Resolution: 2.8→48.82 Å / SU ML: 0.32 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 43.45 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.3165 4124 5.08 %
Rwork0.2743 77051 -
obs0.2765 81175 91.03 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 98.93 Å2 / Biso mean: 26.6994 Å2 / Biso min: 7.74 Å2
Refinement stepCycle: final / Resolution: 2.8→48.82 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms16575 0 64 35 16674
Biso mean--27.3 20.62 -
Num. residues----2046
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A8953X-RAY DIFFRACTION9.472TORSIONAL
12B8953X-RAY DIFFRACTION9.472TORSIONAL
13C8953X-RAY DIFFRACTION9.472TORSIONAL
14D8953X-RAY DIFFRACTION9.472TORSIONAL
15E8953X-RAY DIFFRACTION9.472TORSIONAL
16F8953X-RAY DIFFRACTION9.472TORSIONAL
17G8953X-RAY DIFFRACTION9.472TORSIONAL
18H8953X-RAY DIFFRACTION9.472TORSIONAL
19I8953X-RAY DIFFRACTION9.472TORSIONAL
110J8953X-RAY DIFFRACTION9.472TORSIONAL
111K8953X-RAY DIFFRACTION9.472TORSIONAL
112L8953X-RAY DIFFRACTION9.472TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 29

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.8-2.830.39361440.33432568271290
2.83-2.870.41390.31742560269989
2.87-2.90.34261220.30622591271390
2.9-2.940.35491330.3072600273390
2.94-2.980.37951450.29322588273389
2.98-3.020.37551540.33562529268389
3.02-3.070.35521400.32132569270989
3.07-3.120.30781370.30272531266888
3.12-3.170.38061230.29342540266388
3.17-3.220.34431300.29472545267587
3.22-3.280.35291440.29122516266088
3.28-3.350.43381300.30862583271389
3.35-3.410.33681380.29662571270988
3.41-3.490.36471140.29672557267187
3.49-3.570.33491480.27972463261186
3.57-3.660.3451340.28422587272189
3.66-3.760.27411550.25712626278192
3.76-3.870.30831300.28032673280391
3.87-3.990.35671660.26832655282191
3.99-4.140.271430.26822659280291
4.14-4.30.29691450.25532644278991
4.3-4.50.26331360.25112762289894
4.5-4.730.29471550.23852766292195
4.73-5.030.28671520.24532826297896
5.03-5.420.28861430.24672863300697
5.42-5.960.27891520.25122936308898
5.96-6.820.2851740.2622906308098
6.82-8.590.24251470.24682963311098
8.59-48.820.2871510.25152874302590
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)
10.5350.7009-0.70182.6409-1.07441.3386-0.057-0.13520.0619-0.46080.03650.0640.28360.09820.02010.1421-0.01180.00260.198-0.00210.166308.7073141.0699113.2713
20.6566-0.3286-0.07311.6455-0.98880.82940.03220.0720.2008-0.11630.1314-0.13760.0504-0.0601-0.09520.21770.01910.03350.2175-0.04030.1819305.161144.0435115.1919
30.42770.0440.29590.3538-0.34991.76870.0962-0.0736-0.0839-0.0966-0.10720.20740.02760.08630.01510.17910.06470.02680.244-0.01490.1685316.7642144.6311116.9289
41.13021.3636-0.96531.7146-1.63932.8367-0.0058-0.1114-0.1007-0.0928-0.0544-0.04140.06840.0358-0.03440.15850.04320.00030.1982-0.12550.3286314.6501135.3047134.9622
50.2370.1714-0.1781.8447-0.92551.4140.0450.007-0.0787-0.43140.08080.2680.31360.06360.03350.20950.0290.01950.1841-0.03850.1318295.7727127.2938112.6639
60.38970.0925-0.13992.0082-1.99431.86990.03260.1744-0.13190.25090.18070.0421-0.0666-0.4069-0.15540.2216-0.03050.0190.1447-0.00550.2375292.9476140.6092112.7385
72.90391.83-2.61544.672-3.08993.2188-0.27360.04960.172-0.68330.1291-0.43620.4668-0.5091-0.06020.31250.0045-0.0010.1991-0.05640.1054301.1741127.5843110.4889
80.6183-0.41140.73273.6736-1.56631.7848-0.0361-0.17560.1323-0.0993-0.0665-0.08990.08390.1080.07250.18480.02280.02580.2502-0.05980.1484286.585128.3303107.997
90.5721-0.35420.4654.9462-0.90310.8903-0.04020.11940.05930.2712-0.0359-0.2047-0.18450.24230.01320.1705-0.02060.0640.2256-0.07110.1753280.5526146.9499102.7397
100.7666-0.5749-0.05820.3809-0.11391.05540.0286-0.06990.02420.0901-0.10980.0683-0.2387-0.271-0.15320.0928-0.13650.04520.22060.00320.1327224.3325160.5593159.4798
110.65540.7294-0.77442.7158-1.81871.6750.0870.03420.01590.1490.05980.35110.03740.0704-0.00330.10440.0193-0.03520.1542-0.01790.2458232.3221168.6558152.1792
122.7789-0.52581.75283.9637-3.03934.6906-0.08280.08520.2283-0.30170.46870.30790.0294-0.377-0.34870.0990.03280.06590.2378-0.08160.3425220.0087158.2754155.9038
132.20980.2669-0.7021.56251.26271.4062-0.4992-0.05910.04350.1197-0.46840.2453-0.3130.11290.4750.5165-0.0263-0.18480.36910.11810.4288222.1408180.7106146.8021
140.18620.8786-0.80524.4448-3.60333.2511-0.11120.17220.07690.23920.37730.6666-0.1318-0.5846-0.14410.21390.04370.01190.36930.02690.0587224.1662172.0351164.8774
150.41460.6523-0.33341.7652-1.18180.8415-0.0238-0.18370.18020.205-0.1220.1772-0.12290.310.1180.2129-0.05730.1420.27720.02740.1311230.5729158.8889172.6146
160.4490.4526-0.25483.7459-2.62242.11630.19840.032-0.07410.1979-0.4577-0.437-0.28130.47220.11880.29040.0627-0.06510.2872-0.01470.1267233.3781181.5587161.9774
170.3206-0.1689-0.00720.13650.02550.00980.19380.65880.2675-0.37060.0942-0.0441-0.48770.2489-0.01910.2863-0.0029-0.06320.4588-0.00660.1905228.4422194.2869150.3208
181.51912.082-1.5253.1113-1.32773.72270.03590.05920.1395-0.09130.0386-0.0721-0.0526-0.11410.12920.1748-0.0148-0.03610.3555-0.03870.1525238.3486188.2542148.829
190.95190.40810.47170.20560.13540.401-0.06890.03390.3079-0.0988-0.1025-0.1294-0.03350.0618-0.5971-0.06320.1293-0.17120.25110.03650.5216224.8062178.9263126.1877
200.9857-0.73010.6221.9369-2.01743.0970.22240.0386-0.0076-0.21910.0040.27190.52820.1024-0.0760.21970.0256-0.01130.1802-0.01130.1831225.194155.1051144.9074
210.0863-0.12860.08793.11-2.4962.5316-0.16680.07340.0754-0.2219-0.1477-0.58180.29730.37920.13810.2043-0.0151-0.0660.2531-0.00750.1877232.8434159.4685141.5647
224.27052.3723-3.14985.3105-4.56536.42650.0745-0.21050.39440.65630.68420.5899-0.2128-0.4784-0.63050.29320.0998-0.02630.17550.01370.191219.8579169.6668140.8533
232.6067-4.71-0.28838.56060.57550.0812-0.266-0.066-0.1854-0.4960.43541.2236-0.27390.0097-0.2010.31470.04540.05360.26920.16980.4766220.2513146.8305149.248
240.4234-0.65321.00254.3675-3.29893.31830.1512-0.2166-0.1999-0.3450.30030.62030.2156-0.3529-0.23510.1690.0293-0.05720.1935-0.01970.2617224.139152.2342132.1499
250.2582-0.1150.30521.4054-0.8940.78010.10510.23180.2271-0.1827-0.0320.21610.08510.11950.31460.26020.1101-0.10520.16110.12290.2859230.5786165.3515124.6047
262.3266-0.33590.75473.2075-1.80241.26150.08-0.08660.2724-0.0717-0.2814-0.14610.30170.1626-0.09560.28690.03180.0530.25750.00960.1085233.3673142.6402135.294
271.1269-0.2560.63261.7598-0.64071.64740.41750.03610.1745-0.08140.04090.0452-0.09920.24620.03590.30680.086-0.00470.3218-0.09170.0581236.2478134.7007148.0812
281.0325-0.06361.15410.79370.26411.3134-0.15240.1912-0.2105-0.04950.20290.0829-0.26110.269-0.15470.2328-0.02350.02030.1634-0.02430.1797274.9372109.7037137.64
293.79330.42772.72950.60710.5152.4023-0.09930.2438-0.06070.01840.01560.06950.120.2020.11110.1466-0.0101-0.02250.1665-0.00240.2343282.4617117.8007144.655
308.1131-0.95867.0652.7279-2.60837.36540.47060.1332-0.87330.0288-0.2175-0.09250.6902-0.1436-0.1960.17360.01250.01170.2321-0.1280.2041269.073105.1984140.8916
318.48975.2872-1.33683.2932-0.84540.2415-0.02950.4291-1.0567-0.158-0.0408-0.8150.04630.08520.13870.34990.20940.03930.3641-0.06560.3044292.4148106.0315148.5013
324.26130.88063.17250.19050.75322.71740.0915-0.08030.07050.0018-0.0636-0.03450.0885-0.0841-0.06510.2688-0.0254-0.01950.1653-0.02240.1152281.6451111.9883129.4592
332.72090.9061.98930.99481.06414.2519-0.01110.2064-0.05080.10.04570.0317-0.40040.2575-0.02830.27240.00450.05830.14340.02860.1846299.5841120.1419140.8821
341.5661.7386-0.11062.2848-0.80341.32920.11330.1676-0.2927-0.3173-0.2-0.48930.27810.1857-0.01910.20320.2649-0.0580.09370.01340.302293.3598110.4544171.0134
352.4259-0.96622.19360.6908-0.59162.17260.0656-0.21340.0755-0.0056-0.04170.0606-0.0343-0.13040.08350.2139-0.00090.01140.15540.04280.2474271.099114.2675153.5855
363.54962.11694.25773.45982.56876.06350.3416-0.0785-0.2242-0.1012-0.09250.08580.63970.135-0.29270.20570.02310.02210.1385-0.02450.2925279.5029105.3772155.6363
373.799-0.70962.0960.5398-0.67191.68570.1164-0.02-0.2161-0.0132-0.0061-0.11850.3985-0.0633-0.20250.2870.05780.03010.2096-0.00480.226270.0253111.522165.6279
381.7463-1.64651.37841.6223-1.35553.7716-0.04460.1052-0.0495-0.0577-0.0036-0.3013-0.2561-0.2578-0.00670.26220.02740.04310.17020.01180.1953253.4674120.0478156.3862
390.08470.50110.04312.00880.68420.8779-0.07540.05240.0905-0.2404-0.0010.2065-0.1322-0.02690.09160.13920.0314-0.02740.21-0.00680.1746244.3846183.2143113.4506
400.373-0.0969-0.48892.20641.62221.6783-0.16680.0803-0.00120.1690.21570.14710.21940.127-0.08170.17670.0438-0.04310.159-0.0020.4062247.8689180.2632115.7886
410.8505-0.1573-0.13460.07440.23421.3350.12630.09380.19760.0379-0.163-0.08120.1138-0.2666-0.01290.21370.0351-0.03240.26590.02470.1808236.1638179.3046116.9998
421.67111.52631.82563.22732.54743.0676-0.19710.07740.4572-0.27490.17440.0297-0.03930.1460.02420.1847-0.00560.01650.16940.08990.2895238.4863189.1169135.1895
430.68250.10850.14921.7310.63050.4155-0.18810.17560.2311-0.06120.13490.24630.07770.01150.06560.2202-0.0572-0.01690.24440.053-0.0504257.1581192.5539110.8923
440.5001-0.093-0.31893.26572.53272.63040.03140.11330.15270.22180.10510.242-0.01640.2287-0.03940.1477-0.0538-0.05350.20250.00510.1393258.4429190.6654115.4604
450.96140.2001-0.12610.11180.15020.26840.05910.0088-0.43990.09430.0097-0.14870.1084-0.24480.0430.2803-0.0056-0.03080.20880.06090.0698264.397192.7844103.3379
460.5795-0.9046-0.42333.38261.09850.3733-0.02630.0189-0.1067-0.03810.01490.31040.0152-0.1304-0.03030.22940.0033-0.0330.20090.04590.1987271.4759184.7047107.102
470.2283-0.3816-0.06781.5050.67040.9786-0.01230.02780.03290.29360.1453-0.27670.13270.11590.0410.16160.00270.03750.16190.00710.182257.3894127.3842184.5844
480.01170.00460.01193.69062.05711.0753-0.0657-0.10770.1733-0.54810.1249-0.1765-0.08960.0084-0.110.18070.0309-0.0080.2304-0.0440.219260.1111140.7449184.413
491.1637-1.1495-1.48132.8731.75193.7663-0.16060.21320.05370.46280.07730.02030.3880.1674-0.6020.35820.1780.07650.35360.0151-0.1642251.7815127.3106186.564
500.49951.01210.86643.91991.70031.7370.22030.0262-0.0729-0.14250.0628-0.2074-0.4371-0.2805-0.00890.15770.03260.04060.23970.02370.159266.5707128.4685189.1695
511.11620.09960.58285.83930.45070.32340.12210.07760.12080.0851-0.00930.0859-0.0409-0.3236-0.0370.1512-0.01720.06360.19350.02360.2119272.6956147.1042194.4671
520.7714-0.0564-0.33440.80380.26080.7615-0.0986-0.0035-0.33350.3239-0.09170.21890.21130.0307-0.00620.3260.06940.05630.22770.0658-0.1637244.4071141.1502183.9384
530.29230.25990.42193.20923.0934.4267-0.1687-0.0843-0.07970.01680.1837-0.06520.0580.60.11770.1770.0063-0.00490.21220.02470.1894248.5487143.1154177.054
540.7232-2.0296-0.50276.33930.56121.63160.0055-0.3460.23860.5811-0.20830.42790.26250.29640.05080.1598-0.02030.03860.2424-0.00770.1971246.5811146.2567194.3109
551.40920.40860.88650.59420.07930.6186-0.0922-0.11920.0609-0.3514-0.00610.19040.0963-0.24720.28240.5047-0.1907-0.07140.2458-0.16090.2662241.4565127.4019179.0337
561.0259-0.12960.25182.15871.49821.33440.0705-0.12510.02380.1201-0.0727-0.2996-0.04-0.090.07790.1859-0.0001-0.0010.23870.01950.132235.5095147.9095180.4823
572.2721-0.1162-0.6812.1862.59273.45370.0535-0.1944-0.39980.46990.0069-0.37870.0224-0.02010.12280.3140.00280.01770.19270.09840.115238.3651135.1039162.195
582.2084-0.3615-1.24280.53090.09051.01020.10460.15590.04640.1597-0.052-0.2329-0.0926-0.15970.06150.16420.0209-0.01580.2114-0.04760.2793241.7678142.7723112.691
593.8910.5051-1.9390.3571-0.32621.07750.3017-0.1680.3499-0.1283-0.09950.1586-0.24860.0111-0.12360.31490.01740.03850.14430.03610.1136254.9117145.5379112.7219
603.7524-0.6812-2.70761.22061.64423.6012-0.09970.8063-0.1855-0.1995-0.25570.2036-0.2046-0.2516-0.0340.2199-0.0792-0.09640.4162-0.15730.0973241.7793137.1991110.5669
612.54060.12-1.5091.336-0.79191.5449-0.0015-0.0749-0.10510.07090.00950.14060.13260.12610.09890.260.0162-0.06370.0926-0.03040.1359242.5445151.998108.2064
624.62910.4026-0.19040.9462-0.29530.2845-0.1134-0.062-0.4045-0.05270.012-0.01350.23790.08240.10090.18380.0259-0.01090.1801-0.08070.2763261.4015157.9107102.7501
631.3925-0.0072-0.62320.28150.24690.85430.06840.31460.03230.01640.09390.11010.1726-0.2168-0.08660.24350.0120.01550.2027-0.01690.1336258.8534128.8921110.4214
641.70490.2232-1.48590.4891-0.00331.5340.1083-0.1630.03310.0395-0.0940.28620.13290.114-0.08680.1742-0.0055-0.14480.26250.036-0.2624253.636134.1854121.663
653.2629-0.5873-1.24150.4802-0.46941.80920.17450.5172-0.0021-0.40510.0075-0.16450.0193-0.32770.16260.39230.07280.1060.1064-0.05170.1365260.6414131.9221102.8221
660.08970.11810.1160.9769-0.72831.05580.01520.01530.3870.06370.16120.16540.22370.0386-0.13680.30520.0198-0.05220.1843-0.0190.2454253.4399120.9365118.6223
672.1097-0.9188-2.11960.70420.96732.114-0.1296-0.19310.0735-0.07220.14880.01970.02230.1008-0.0410.19880.0156-0.07710.2305-0.00010.1745255.9166123.9252129.0395
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'K' and (resid 5 through 48 )K5 - 48
2X-RAY DIFFRACTION2chain 'K' and (resid 49 through 85 )K49 - 85
3X-RAY DIFFRACTION3chain 'K' and (resid 86 through 137 )K86 - 137
4X-RAY DIFFRACTION4chain 'K' and (resid 138 through 176 )K138 - 176
5X-RAY DIFFRACTION5chain 'L' and (resid 5 through 41 )L5 - 41
6X-RAY DIFFRACTION6chain 'L' and (resid 42 through 75 )L42 - 75
7X-RAY DIFFRACTION7chain 'L' and (resid 76 through 90 )L76 - 90
8X-RAY DIFFRACTION8chain 'L' and (resid 91 through 137 )L91 - 137
9X-RAY DIFFRACTION9chain 'L' and (resid 138 through 176 )L138 - 176
10X-RAY DIFFRACTION10chain 'A' and (resid 5 through 41 )A5 - 41
11X-RAY DIFFRACTION11chain 'A' and (resid 42 through 75 )A42 - 75
12X-RAY DIFFRACTION12chain 'A' and (resid 76 through 90 )A76 - 90
13X-RAY DIFFRACTION13chain 'A' and (resid 91 through 95 )A91 - 95
14X-RAY DIFFRACTION14chain 'A' and (resid 96 through 123 )A96 - 123
15X-RAY DIFFRACTION15chain 'A' and (resid 124 through 137 )A124 - 137
16X-RAY DIFFRACTION16chain 'A' and (resid 138 through 158 )A138 - 158
17X-RAY DIFFRACTION17chain 'A' and (resid 159 through 163 )A159 - 163
18X-RAY DIFFRACTION18chain 'A' and (resid 164 through 176 )A164 - 176
19X-RAY DIFFRACTION19chain 'B' and (resid 5 through 13 )B5 - 13
20X-RAY DIFFRACTION20chain 'B' and (resid 14 through 48 )B14 - 48
21X-RAY DIFFRACTION21chain 'B' and (resid 49 through 76 )B49 - 76
22X-RAY DIFFRACTION22chain 'B' and (resid 77 through 86 )B77 - 86
23X-RAY DIFFRACTION23chain 'B' and (resid 87 through 95 )B87 - 95
24X-RAY DIFFRACTION24chain 'B' and (resid 96 through 123 )B96 - 123
25X-RAY DIFFRACTION25chain 'B' and (resid 124 through 137 )B124 - 137
26X-RAY DIFFRACTION26chain 'B' and (resid 138 through 158 )B138 - 158
27X-RAY DIFFRACTION27chain 'B' and (resid 159 through 176 )B159 - 176
28X-RAY DIFFRACTION28chain 'C' and (resid 5 through 41 )C5 - 41
29X-RAY DIFFRACTION29chain 'C' and (resid 42 through 76 )C42 - 76
30X-RAY DIFFRACTION30chain 'C' and (resid 77 through 86 )C77 - 86
31X-RAY DIFFRACTION31chain 'C' and (resid 87 through 95 )C87 - 95
32X-RAY DIFFRACTION32chain 'C' and (resid 96 through 137 )C96 - 137
33X-RAY DIFFRACTION33chain 'C' and (resid 138 through 176 )C138 - 176
34X-RAY DIFFRACTION34chain 'D' and (resid 5 through 13 )D5 - 13
35X-RAY DIFFRACTION35chain 'D' and (resid 14 through 75 )D14 - 75
36X-RAY DIFFRACTION36chain 'D' and (resid 76 through 90 )D76 - 90
37X-RAY DIFFRACTION37chain 'D' and (resid 91 through 137 )D91 - 137
38X-RAY DIFFRACTION38chain 'D' and (resid 138 through 176 )D138 - 176
39X-RAY DIFFRACTION39chain 'E' and (resid 5 through 48 )E5 - 48
40X-RAY DIFFRACTION40chain 'E' and (resid 49 through 85 )E49 - 85
41X-RAY DIFFRACTION41chain 'E' and (resid 86 through 137 )E86 - 137
42X-RAY DIFFRACTION42chain 'E' and (resid 138 through 176 )E138 - 176
43X-RAY DIFFRACTION43chain 'F' and (resid 5 through 48 )F5 - 48
44X-RAY DIFFRACTION44chain 'F' and (resid 49 through 85 )F49 - 85
45X-RAY DIFFRACTION45chain 'F' and (resid 86 through 123 )F86 - 123
46X-RAY DIFFRACTION46chain 'F' and (resid 124 through 176 )F124 - 176
47X-RAY DIFFRACTION47chain 'G' and (resid 5 through 41 )G5 - 41
48X-RAY DIFFRACTION48chain 'G' and (resid 42 through 75 )G42 - 75
49X-RAY DIFFRACTION49chain 'G' and (resid 76 through 90 )G76 - 90
50X-RAY DIFFRACTION50chain 'G' and (resid 91 through 137 )G91 - 137
51X-RAY DIFFRACTION51chain 'G' and (resid 138 through 176 )G138 - 176
52X-RAY DIFFRACTION52chain 'H' and (resid 5 through 48 )H5 - 48
53X-RAY DIFFRACTION53chain 'H' and (resid 49 through 75 )H49 - 75
54X-RAY DIFFRACTION54chain 'H' and (resid 76 through 85 )H76 - 85
55X-RAY DIFFRACTION55chain 'H' and (resid 86 through 95 )H86 - 95
56X-RAY DIFFRACTION56chain 'H' and (resid 96 through 137 )H96 - 137
57X-RAY DIFFRACTION57chain 'H' and (resid 138 through 176 )H138 - 176
58X-RAY DIFFRACTION58chain 'I' and (resid 5 through 41 )I5 - 41
59X-RAY DIFFRACTION59chain 'I' and (resid 42 through 75 )I42 - 75
60X-RAY DIFFRACTION60chain 'I' and (resid 76 through 90 )I76 - 90
61X-RAY DIFFRACTION61chain 'I' and (resid 91 through 137 )I91 - 137
62X-RAY DIFFRACTION62chain 'I' and (resid 138 through 176 )I138 - 176
63X-RAY DIFFRACTION63chain 'J' and (resid 5 through 41 )J5 - 41
64X-RAY DIFFRACTION64chain 'J' and (resid 42 through 75 )J42 - 75
65X-RAY DIFFRACTION65chain 'J' and (resid 76 through 85 )J76 - 85
66X-RAY DIFFRACTION66chain 'J' and (resid 86 through 123 )J86 - 123
67X-RAY DIFFRACTION67chain 'J' and (resid 124 through 176 )J124 - 176

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