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- PDB-9o5s: minibinder-antigen complex BXMart1-3-MART1-HLA*A02 -

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Basic information

Entry
Database: PDB / ID: 9o5s
Titleminibinder-antigen complex BXMart1-3-MART1-HLA*A02
Components
  • BXMart1-3 minibinder
  • Beta-2-microglobulin
  • HLA class I histocompatibility antigen, A alpha chain
  • Melanoma antigen recognized by T-cells 1
  • antibody AD01
KeywordsIMMUNE SYSTEM / minibinder / pMHC
Function / homology
Function and homology information


melanosome membrane / Regulation of MITF-M-dependent genes involved in pigmentation / : / : / negative regulation of receptor binding / positive regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / cellular response to iron ion ...melanosome membrane / Regulation of MITF-M-dependent genes involved in pigmentation / : / : / negative regulation of receptor binding / positive regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / cellular response to iron ion / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / peptide antigen assembly with MHC class II protein complex / trans-Golgi network / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / cellular response to iron(III) ion / MHC class II protein complex / negative regulation of forebrain neuron differentiation / ER to Golgi transport vesicle membrane / peptide antigen assembly with MHC class I protein complex / regulation of erythrocyte differentiation / regulation of iron ion transport / response to molecule of bacterial origin / MHC class I peptide loading complex / HFE-transferrin receptor complex / T cell mediated cytotoxicity / antigen processing and presentation of endogenous peptide antigen via MHC class I / positive regulation of T cell cytokine production / antigen processing and presentation of exogenous peptide antigen via MHC class II / positive regulation of immune response / MHC class I protein complex / positive regulation of T cell activation / peptide antigen binding / positive regulation of receptor-mediated endocytosis / negative regulation of neurogenesis / positive regulation of T cell mediated cytotoxicity / cellular response to nicotine / multicellular organismal-level iron ion homeostasis / positive regulation of protein binding / specific granule lumen / phagocytic vesicle membrane / recycling endosome membrane / positive regulation of cellular senescence / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / Interferon gamma signaling / negative regulation of epithelial cell proliferation / MHC class II protein complex binding / Modulation by Mtb of host immune system / late endosome membrane / sensory perception of smell / melanosome / tertiary granule lumen / DAP12 signaling / T cell differentiation in thymus / negative regulation of neuron projection development / iron ion transport / ER-Phagosome pathway / protein refolding / early endosome membrane / protein homotetramerization / amyloid fibril formation / intracellular iron ion homeostasis / learning or memory / Amyloid fiber formation / endoplasmic reticulum lumen / external side of plasma membrane / Golgi membrane / lysosomal membrane / focal adhesion / Neutrophil degranulation / endoplasmic reticulum membrane / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity / endoplasmic reticulum / Golgi apparatus / protein homodimerization activity / extracellular space / extracellular exosome / extracellular region / identical protein binding / membrane / plasma membrane / cytosol
Similarity search - Function
Protein melan-A / Protein melan-A / MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Beta-2-Microglobulin / : / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / MHC classes I/II-like antigen recognition protein / : ...Protein melan-A / Protein melan-A / MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Beta-2-Microglobulin / : / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / MHC classes I/II-like antigen recognition protein / : / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold
Similarity search - Domain/homology
MHC class I antigen / Beta-2-microglobulin / Melanoma antigen recognized by T-cells 1
Similarity search - Component
Biological speciesHomo sapiens (human)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.27 Å
AuthorsXiang, X. / Jude, K.M. / Garcia, K.C.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)5R01AI103867 United States
CitationJournal: Science / Year: 2025
Title: Design of high specificity binders for peptide-MHC-I complexes
Authors: Liu, B. / Greenwood, N.F. / Bonzanini, J.E. / Motmaen, A. / Meyerberg, J. / Dao, T. / Xiang, X. / Ault, R. / Sharp, J. / Wang, C. / Visani, G. / Vafeados, D.K. / Roullier, N. / Nourmohammad, ...Authors: Liu, B. / Greenwood, N.F. / Bonzanini, J.E. / Motmaen, A. / Meyerberg, J. / Dao, T. / Xiang, X. / Ault, R. / Sharp, J. / Wang, C. / Visani, G. / Vafeados, D.K. / Roullier, N. / Nourmohammad, A. / Scheinberg, D.A. / Garcia, K.C. / Baker, D.
History
DepositionApr 10, 2025Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 23, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: HLA class I histocompatibility antigen, A alpha chain
B: Beta-2-microglobulin
P: Melanoma antigen recognized by T-cells 1
G: antibody AD01
Q: BXMart1-3 minibinder
C: HLA class I histocompatibility antigen, A alpha chain
H: HLA class I histocompatibility antigen, A alpha chain
L: HLA class I histocompatibility antigen, A alpha chain
D: Beta-2-microglobulin
I: Beta-2-microglobulin
M: Beta-2-microglobulin
E: Melanoma antigen recognized by T-cells 1
J: Melanoma antigen recognized by T-cells 1
N: Melanoma antigen recognized by T-cells 1
F: antibody AD01
K: antibody AD01
O: antibody AD01
R: BXMart1-3 minibinder
S: BXMart1-3 minibinder
T: BXMart1-3 minibinder
hetero molecules


Theoretical massNumber of molelcules
Total (without water)282,96365
Polymers278,81920
Non-polymers4,14445
Water5,242291
1
A: HLA class I histocompatibility antigen, A alpha chain
B: Beta-2-microglobulin
P: Melanoma antigen recognized by T-cells 1
G: antibody AD01
Q: BXMart1-3 minibinder
hetero molecules


Theoretical massNumber of molelcules
Total (without water)71,08620
Polymers69,7055
Non-polymers1,38115
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: HLA class I histocompatibility antigen, A alpha chain
D: Beta-2-microglobulin
E: Melanoma antigen recognized by T-cells 1
F: antibody AD01
T: BXMart1-3 minibinder
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,25711
Polymers69,7055
Non-polymers5536
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
H: HLA class I histocompatibility antigen, A alpha chain
I: Beta-2-microglobulin
J: Melanoma antigen recognized by T-cells 1
K: antibody AD01
R: BXMart1-3 minibinder
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,81017
Polymers69,7055
Non-polymers1,10512
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
L: HLA class I histocompatibility antigen, A alpha chain
M: Beta-2-microglobulin
N: Melanoma antigen recognized by T-cells 1
O: antibody AD01
S: BXMart1-3 minibinder
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,81017
Polymers69,7055
Non-polymers1,10512
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)87.955, 95.863, 99.133
Angle α, β, γ (deg.)89.723, 69.928, 73.904
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 1 through 94 or resid 96...
d_2ens_1(chain "C" and (resid 1 through 94 or resid 96...
d_3ens_1(chain "H" and (resid 1 through 94 or resid 96...
d_4ens_1(chain "L" and (resid 1 through 94 or resid 96...
d_1ens_2(chain "B" and (resid 1 through 19 or resid 21...
d_2ens_2(chain "D" and (resid 1 through 19 or resid 21...
d_3ens_2(chain "I" and (resid 1 through 19 or resid 21...
d_4ens_2(chain "M" and (resid 1 through 19 or resid 21...
d_1ens_3chain "E"
d_2ens_3chain "J"
d_3ens_3chain "N"
d_4ens_3chain "P"
d_1ens_4(chain "F" and resid 3 through 119)
d_2ens_4chain "G"
d_3ens_4(chain "K" and resid 3 through 119)
d_4ens_4(chain "O" and resid 3 through 119)
d_1ens_5(chain "Q" and (resid 1 through 14 or resid 16 through 102))
d_2ens_5(chain "R" and (resid 1 through 14 or resid 16 through 102))
d_3ens_5(chain "S" and (resid 1 through 14 or resid 16 through 102))
d_4ens_5(chain "T" and (resid 1 through 14 or resid 16 through 102))

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11ens_1GLYGLYTHRTHRAA1 - 942 - 95
d_12ens_1GLNGLNLEULEUAA96 - 11097 - 111
d_13ens_1GLYGLYLEULEUAA112 - 206113 - 207
d_14ens_1PHEPHELEULEUAA208 - 272209 - 273
d_15ens_1TRPTRPPROPROAA274 - 276275 - 277
d_16ens_1GOLGOLGOLGOLAU301
d_17ens_1GOLGOLGOLGOLAV302
d_21ens_1GLYGLYTHRTHRCF1 - 942 - 95
d_22ens_1GLNGLNLEULEUCF96 - 11097 - 111
d_23ens_1GLYGLYLEULEUCF112 - 206113 - 207
d_24ens_1PHEPHELEULEUCF208 - 272209 - 273
d_25ens_1TRPTRPPROPROCF274 - 276275 - 277
d_26ens_1GOLGOLGOLGOLCJA301
d_27ens_1GOLGOLGOLGOLCKA302
d_31ens_1GLYGLYTHRTHRHG1 - 942 - 95
d_32ens_1GLNGLNLEULEUHG96 - 11097 - 111
d_33ens_1GLYGLYLEULEUHG112 - 206113 - 207
d_34ens_1PHEPHELEULEUHG208 - 272209 - 273
d_35ens_1TRPTRPPROPROHG274 - 276275 - 277
d_36ens_1GOLGOLGOLGOLHMA301
d_37ens_1GOLGOLGOLGOLHNA302
d_41ens_1GLYGLYTHRTHRLH1 - 942 - 95
d_42ens_1GLNGLNLEULEULH96 - 11097 - 111
d_43ens_1GLYGLYLEULEULH112 - 206113 - 207
d_44ens_1PHEPHELEULEULH208 - 272209 - 273
d_45ens_1TRPTRPPROPROLH274 - 276275 - 277
d_46ens_1GOLGOLGOLGOLLPA301
d_47ens_1GOLGOLGOLGOLLQA302
d_11ens_2ILEILELYSLYSBB1 - 191 - 19
d_12ens_2ASNASNALAALABB21 - 7921 - 79
d_13ens_2ARGARGASPASPBB81 - 9681 - 96
d_14ens_2ASPASPMETMETBB98 - 9998 - 99
d_15ens_2GOLGOLGOLGOLBAA101
d_16ens_2GOLGOLGOLGOLBBA102
d_21ens_2ILEILELYSLYSDI1 - 191 - 19
d_22ens_2ASNASNALAALADI21 - 7921 - 79
d_23ens_2ARGARGASPASPDI81 - 9681 - 96
d_24ens_2ASPASPMETMETDI98 - 9998 - 99
d_25ens_2GOLGOLGOLGOLDSA101
d_26ens_2GOLGOLGOLGOLCLA303
d_31ens_2ILEILELYSLYSIJ1 - 191 - 19
d_32ens_2ASNASNALAALAIJ21 - 7921 - 79
d_33ens_2ARGARGASPASPIJ81 - 9681 - 96
d_34ens_2ASPASPMETMETIJ98 - 9998 - 99
d_35ens_2GOLGOLGOLGOLIVA102
d_36ens_2GOLGOLGOLGOLIWA103
d_41ens_2ILEILELYSLYSMK1 - 191 - 19
d_42ens_2ASNASNALAALAMK21 - 7921 - 79
d_43ens_2ARGARGASPASPMK81 - 9681 - 96
d_44ens_2ASPASPMETMETMK98 - 9998 - 99
d_45ens_2GOLGOLGOLGOLMCB101
d_46ens_2GOLGOLGOLGOLMDB102
d_11ens_3GLUGLUVALVALEL1 - 101 - 10
d_21ens_3GLUGLUVALVALJM1 - 101 - 10
d_31ens_3GLUGLUVALVALNN1 - 101 - 10
d_41ens_3GLUGLUVALVALPC1 - 101 - 10
d_11ens_4GLUGLUGLYGLYFO3 - 1191 - 117
d_21ens_4GLUGLUGLYGLYGD3 - 1191 - 117
d_31ens_4GLUGLUGLYGLYKP3 - 1191 - 117
d_41ens_4GLUGLUGLYGLYOQ3 - 1191 - 117
d_11ens_5ASPASPLEULEUQE1 - 141 - 14
d_12ens_5ASPASPSERSERQE16 - 10216 - 102
d_21ens_5ASPASPLEULEURR1 - 141 - 14
d_22ens_5ASPASPSERSERRR16 - 10216 - 102
d_31ens_5ASPASPLEULEUSS1 - 141 - 14
d_32ens_5ASPASPSERSERSS16 - 10216 - 102
d_41ens_5ASPASPLEULEUTT1 - 141 - 14
d_42ens_5ASPASPSERSERTT16 - 10216 - 102

NCS ensembles :
ID
ens_1
ens_2
ens_3
ens_4
ens_5

NCS oper:
IDCodeMatrixVector
1given(-0.772565808906, -0.107573756204, 0.625755509673), (-0.0371014004395, -0.976210649193, -0.213626436773), (0.633849790561, -0.188256886671, 0.75019583285)-39.8031681556, -71.2519848174, 59.3483330759
2given(-0.83589143419, 0.548870660325, 0.00514863880528), (0.548805765562, 0.835888015777, -0.0101713699669), (-0.00988645202506, -0.0056765583682, -0.999935015264)-42.2495794608, -36.9254324455, 24.3278662773
3given(0.619314468077, -0.446958329095, -0.64550588044), (-0.456795704518, -0.873799243505, 0.166770999831), (-0.638582237432, 0.191580620375, -0.745325158527)12.4013733766, -36.8611279472, 57.9008621142
4given(-0.7717968729, -0.082741792047, 0.630462832236), (-0.0477527325175, -0.981155806244, -0.187224358487), (0.634073547405, -0.174605497401, 0.753301836423)-39.0848491946, -71.9947415585, 59.5535081313
5given(-0.857969030013, 0.513642840518, -0.0077573141876), (0.513593810096, 0.858000570637, 0.00751125945032), (0.0105138846395, 0.00246031943504, -0.99994170083)-43.2402188543, -37.4876731835, 24.6998004825
6given(0.62174210684, -0.456441162297, -0.636473265694), (-0.45725083884, -0.87130542094, 0.178181182567), (-0.635891832753, 0.180245190789, -0.750435372458)11.917204552, -36.9850755016, 57.7315186479
7given(0.593368297441, -0.496147651617, -0.633838758192), (-0.500552538817, -0.844112214991, 0.192150265123), (-0.630365940923, 0.203253723944, -0.749217394504)-16.5584405494, -129.001250425, 58.9385972726
8given(-0.838932194061, 0.544218671669, -0.00433718514449), (0.544235901983, 0.838901984336, -0.0071234591865), (-0.000238246272025, -0.00833655111381, -0.999965221972)18.2978988893, 45.1270143436, 117.035988721
9given(-0.760620759494, -0.0515785868749, 0.647144272634), (-0.0997753400946, -0.975707745355, -0.195036604676), (0.641483391629, -0.21291793027, 0.736997295269)-72.5610121291, -62.1943994636, -34.1956959842
10given(-0.771012878893, -0.0457544306411, 0.635173734231), (-0.0903295605957, -0.979472968486, -0.180203425294), (0.630380608096, -0.196314126038, 0.751053295616)-71.4037130093, -62.8503985058, -33.8916513261
11given(0.59709289464, -0.473324508743, -0.647644952574), (-0.484435192442, -0.85628069381, 0.179181242688), (-0.639376743004, 0.206754160372, -0.740574167572)-14.42023298, -128.347932183, 57.9479691801
12given(-0.855723096259, 0.517302597441, 0.0116621271466), (0.517257454567, 0.855802541163, -0.00683639046969), (-0.0135169605945, 0.000182264982746, -0.999908625103)15.3517158749, 45.3822407682, 117.152748251
13given(-0.831674224019, 0.553092239541, 0.0490607751855), (0.553170551223, 0.832963355904, -0.0132056420192), (-0.0481697660607, 0.0161561839738, -0.998708491682)-42.8609550032, -36.8043209218, 23.0526108335
14given(0.591318050951, -0.445712738434, -0.672073744032), (-0.463131582049, -0.869939507188, 0.169453213432), (-0.660190957472, 0.211057832434, -0.720834579526)11.8432667498, -37.0595193571, 56.713134626
15given(-0.757269710322, -0.108315172935, 0.644057768481), (-0.053900138251, -0.972422384278, -0.226912938483), (0.650874305012, -0.206549097956, 0.730547814457)-39.4672663641, -71.5557532264, 60.2595737681

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Components

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Protein , 3 types, 12 molecules ACHLBDIMQRST

#1: Protein
HLA class I histocompatibility antigen, A alpha chain / HLA A*02:01


Mass: 32256.670 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-A / Production host: Escherichia coli (E. coli) / References: UniProt: A5I8L1
#2: Protein
Beta-2-microglobulin


Mass: 11748.160 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M, CDABP0092, HDCMA22P / Production host: Escherichia coli (E. coli) / References: UniProt: P61769
#5: Protein
BXMart1-3 minibinder


Mass: 12120.768 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) synthetic construct (others) / Production host: Escherichia coli (E. coli)

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Protein/peptide / Antibody , 2 types, 8 molecules PEJNGFKO

#3: Protein/peptide
Melanoma antigen recognized by T-cells 1 / MART-1 / Antigen LB39-AA / Antigen SK29-AA / Protein Melan-A


Mass: 985.176 Da / Num. of mol.: 4 / Fragment: residues 26-35 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: Q16655
#4: Antibody
antibody AD01


Mass: 12593.875 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli)

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Non-polymers , 2 types, 336 molecules

#6: Chemical...
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 45 / Source method: obtained synthetically / Formula: C3H8O3
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 291 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN
Has protein modificationY

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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: 2.69 Å3/Da / Density % sol: 54.31 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5 / Details: 0.2M potassium thiocyanate, 20% w/v PEG 3350

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Data collection

DiffractionMean temperature: 80 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL12-1 / Wavelength: 0.97946 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jan 20, 2025
RadiationMonochromator: M / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97946 Å / Relative weight: 1
ReflectionResolution: 2.27→48.15 Å / Num. obs: 136169 / % possible obs: 90.8 % / Redundancy: 3.7 % / Biso Wilson estimate: 52.74 Å2 / CC1/2: 0.994 / Rmerge(I) obs: 0.1487 / Net I/σ(I): 5.32
Reflection shellResolution: 2.27→2.33 Å / Num. unique obs: 10407 / CC1/2: 0.648

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Processing

Software
NameVersionClassification
PHENIX1.21.2_5419refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.27→48.12 Å / SU ML: 0.4159 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 33.9167
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2342 1795 1.47 %
Rwork0.2069 120246 -
obs0.2073 122041 90.8 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 82.43 Å2
Refinement stepCycle: LAST / Resolution: 2.27→48.12 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19540 0 270 291 20101
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002120316
X-RAY DIFFRACTIONf_angle_d0.493927454
X-RAY DIFFRACTIONf_chiral_restr0.04012870
X-RAY DIFFRACTIONf_plane_restr0.0043575
X-RAY DIFFRACTIONf_dihedral_angle_d12.83457613
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS2.35006414886
ens_1d_3AAX-RAY DIFFRACTIONTorsion NCS1.78217135836
ens_1d_4AAX-RAY DIFFRACTIONTorsion NCS0.445643863016
ens_2d_2BBX-RAY DIFFRACTIONTorsion NCS2.08139141373
ens_2d_3BBX-RAY DIFFRACTIONTorsion NCS3.61894915712
ens_2d_4BBX-RAY DIFFRACTIONTorsion NCS2.07396718921
ens_3d_2LEX-RAY DIFFRACTIONTorsion NCS0.363939527028
ens_3d_3LEX-RAY DIFFRACTIONTorsion NCS0.548048562587
ens_3d_4LEX-RAY DIFFRACTIONTorsion NCS0.583269155563
ens_4d_2OFX-RAY DIFFRACTIONTorsion NCS0.534419182393
ens_4d_3OFX-RAY DIFFRACTIONTorsion NCS0.499189791541
ens_4d_4OFX-RAY DIFFRACTIONTorsion NCS1.22311040893
ens_5d_2EQX-RAY DIFFRACTIONTorsion NCS0.887213875609
ens_5d_3EQX-RAY DIFFRACTIONTorsion NCS0.998528494768
ens_5d_4EQX-RAY DIFFRACTIONTorsion NCS0.917098844247
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.27-2.330.45311460.41629242X-RAY DIFFRACTION90.56
2.33-2.40.39011330.39389230X-RAY DIFFRACTION90.45
2.4-2.480.42231240.37548916X-RAY DIFFRACTION87.69
2.48-2.570.42431360.35018683X-RAY DIFFRACTION85.19
2.57-2.670.38171330.31899435X-RAY DIFFRACTION92.74
2.67-2.790.32561450.28659529X-RAY DIFFRACTION93.7
2.79-2.940.2791520.24859575X-RAY DIFFRACTION93.78
2.94-3.120.26971370.249467X-RAY DIFFRACTION93.2
3.12-3.360.25281420.20989300X-RAY DIFFRACTION91.14
3.36-3.70.22161260.19978272X-RAY DIFFRACTION81.31
3.7-4.240.19831360.16649620X-RAY DIFFRACTION94.5
4.24-5.340.16661440.14359695X-RAY DIFFRACTION95
5.34-48.120.17591410.16579282X-RAY DIFFRACTION91.24
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)
15.41576103328-2.069286136572.679400346839.32365093523-1.59978745042.53769952688-0.303820693042-0.4582181858060.5748532234911.564687634570.366331912453-0.837242603570.1297715893820.181357636369-0.1240430311790.723596316583-0.106776723947-0.02827217776270.4953926258030.002669480052680.3954433452839.169-8.07952.364
29.28074620296-3.84729935164-5.647629078626.741607225965.11970173874.945981200920.147380647266-0.658901451833-1.101668724961.019995488530.138693484029-0.03441512980091.029925025320.594130011603-0.1600408762660.5906094995040.1805296309440.06546173449720.5708192801280.008081959320680.48838594771513.728-29.76643.785
31.78637979971-2.01751954256-1.306476295027.92457031524-0.264905577044.480212865950.2288851971310.2753018962160.09395998227410.387048981962-0.7191564966920.435117841659-0.760544905555-0.1553224006370.4643292835050.390505129565-0.0308984823851-0.05354212600960.4535803916110.04795664491490.4901945168317.182-16.99347.974
42.9221386445-1.58334330877-4.05591106471.966668260772.861350019387.156376399640.134643886095-0.0791270804833-0.0911086272112-0.061095088786-0.06279461237890.191607947527-0.3962419786520.127436808275-0.07726449691630.785758165472-0.130033643938-0.1428334229820.4517743085130.0843284633970.6083946002632.59-10.69646.13
52.080765074-0.940074109174-0.1458260169094.523341877092.77493624196.4480338918-0.290022049301-0.2448375540060.007595175041910.3103704312020.19845145454-0.400743131357-0.2482623208270.5067744022120.08753285217390.569787027158-0.109249807581-0.1018569334770.475711231990.102083638040.44963735587511.547-13.77743.219
68.07539172095.518504545950.4845780261766.337082276792.677475351482.210705416770.5662762562820.29136806313-0.8759025599820.84272703223-0.20737567175-1.387697911280.2161195240090.044141779529-0.2739240210370.8079917184310.0383459351591-0.0489545890770.6813084376720.07074204148080.8954757442332.4-64.28551.517
76.14089269356-2.190263915681.064741953495.823838890524.202753151724.4458546458-0.3898077217080.9108163857520.221640897869-1.288607730420.402703799448-1.60724072102-0.128699189926-0.603344776976-0.1181699823650.798580012463-0.247925208157-0.02677414540790.6545955755250.1307658366980.807834595653-15.894-66.0395.762
83.55506877424-3.66871849648-1.929554250329.803573724714.098728297073.84337265120.08259811519110.06774178028650.3284664920060.383103705669-0.4506893995592.464268155550.721201269883-0.7376402730220.3516503795980.678240385727-0.100075426671-0.01890055285240.6701674261840.003931659266290.996354028796-18.925-7.86266.056
97.80983983790.0128137777763-2.05406550224.030004752070.3707233939744.46610974620.5709346646830.09417001154561.27928471236-0.071088312837-0.3802772954560.224002432674-0.713409282785-0.010534613373-0.0906127754040.890070947964-0.0510575127742-0.1506479387820.3827143676080.02713587984270.702331158717-13.685-34.69593.005
109.247908495693.96211519224-1.083843525024.33904132615-4.174736503775.35246543312-0.889468072579-0.7178019076342.019568890991.84573488840.6498521135260.905509989574-1.228473663390.3528764413210.08511231195481.112240785790.0760582301338-0.1750052293690.6191612045670.01414428512090.878739431725-29.891-42.93192.157
117.377308175793.31615070781-1.877133786675.33287019647-1.777926720975.8470830495-0.4648040261020.1944112434750.177968884398-0.7986858822660.179850388434-0.141931704148-0.3071371745940.1022991293090.1928476800890.872113907953-0.0814148633744-0.2357737222110.3849905439020.01406936607110.535584899924-14.144-44.13184.928
122.87440863380.922503764613-3.806086471181.58600143747-1.340743410495.09620386978-0.326181295007-0.157231045389-0.952336334491-0.314371675965-0.0523840670932-0.04035594620060.2455874756420.2408870422530.3142141672730.753071557081-0.0743947408049-0.1583564349890.4667613041430.03610265003910.684068216893-10.106-47.30991.994
134.839617348543.48801496919-1.485568237793.80254825286-1.194648815843.581258022650.026871305053-0.00400624924747-0.0275050569194-0.40814296106-0.0385290691314-0.276859944607-0.2761126938870.0406710783223-0.002821249944810.82698207372-0.0843867855085-0.08072662347510.383484439430.008915790860370.531775229637-10.33-40.98793.661
149.672300395985.564523980911.112700234434.478430239272.001767133841.51188826978-0.5130029946310.2684021171890.763691066025-0.5192835869170.2184336548590.43319328563-0.991038126704-0.06430573390890.2903301790880.8812320778030.0700220944226-0.1607676123230.4385217877680.05154616168870.549907535823-21.982-39.73984.485
152.58128202553-4.264068399272.530366694387.26853912049-4.384893916812.68924883875-0.4324467299450.07517020339562.443331912640.3732154803780.0296068707417-0.839120790106-1.197978988940.7200978177330.3846945372960.920600167331-0.193482807272-0.1297487653190.7095053566970.009157695824520.867459384473-1.904-31.94288.021
168.64620114088-1.66813476278-3.917258639254.24809117463.319981701758.35863871027-0.2949844079690.1010789658-0.6540500252290.0901279368098-0.2279251714240.946758185590.763114585839-0.454136923840.6148129089030.6789492686-0.197528430194-0.1405147612110.4416462727570.1067544521990.728047703135-66.318-75.275-9.336
175.08904797681-2.612021982016.148789483074.04028660597-2.601368918097.522094946520.259976304779-0.857799584229-1.166580373830.9314217730350.1250155502932.417703533971.52643201517-2.40137084034-0.4771073837071.08456090001-0.359014622250.002777232333951.034742314940.05841515870261.08301294357-71.603-60.701-0.075
181.66948138685-1.237599617950.4308130152285.324597281991.36215988475.614325500760.188587559882-0.0560653352223-0.328973224928-0.173537701732-0.0368736358588-0.3073707394380.229974727577-0.0176757180262-0.1571882758220.533966696067-0.130141985374-0.139498625740.3585316988680.04824748802620.588054059529-59.024-69.417-8.725
195.51944666578-2.61001917542-3.743050702215.597958388665.626818358488.08114208124-0.0573339940149-0.00222913285452-0.402757898850.692604800869-0.1927580961450.2179143250381.18698477441-0.4055473963620.3411352422480.630088273741-0.105908072542-0.1684802408610.4460434544980.1294679374920.594282937177-62.386-72.705-2.085
208.61611410779-3.626354548131.159218850978.5519808606-0.4105744425687.983429783330.00321272580192-0.3509334485741.040806982990.09195633919190.0345957424529-0.786668660966-0.8173481147490.5460876539070.05339048937640.617215412088-0.172343346297-0.1094215020190.426484566050.0858249823390.6351698286499.3648.39624.348
211.22177085683-0.5684519861662.082480396918.19599730744-0.9868341781653.55423064389-0.1876837843560.9195850700160.774600450199-1.13291341083-1.21806713498-3.25629938538-1.03447754632.33690007281.207148263291.15026507681-0.291316490802-0.1152517066281.139866557080.5410998037061.475739887121.018-5.75925.39
222.93135456844-2.360098925290.5762559193077.16805680212-1.264666891933.0770666157-0.154147476883-0.06252836244790.07896055835420.637576171285-0.0086945655091-0.0569705542133-0.6131470768090.1926510012220.1494301904030.563747735371-0.155459886864-0.06300096293870.4149664192230.05440699514180.5246043374756.6660.60629.231
236.60916684556-5.25773627091.632963567134.17067800674-1.040719620682.9174375923-1.140800389790.2973338124322.933380637290.0381244452870.433335050355-1.02544882273-1.67010345565-0.2511086824790.6457907491440.9241991899940.0349263337375-0.0718642138390.4724750784940.01913668362150.9402154658621.51316.47629.195
247.471991903974.194612705912.203709126112.862388396820.1273475394023.41160114906-0.1298670835930.7180032703660.0618948473487-0.5369150073920.210782695091-1.28470646142-0.1798840605490.745061466577-0.01768098404980.772066138122-0.20947847350.2719982428570.902700328442-0.01033900859730.909785956085-5.85-66.7882.566
255.272626743491.25381718860.009039636054674.09195797170.8211282575222.964664461120.05851137305760.79673053088-0.0332346730473-0.9463718336410.555309819115-1.15719880096-0.595026530471.08736670329-0.5874409795521.20335538254-0.2468580041080.3105913341221.12792929231-0.1777910857660.896983229493-7.583-71.885-6.3
265.74341288824-0.218062352173-1.112648303942.016720407190.5950335461784.12286788074-0.00841889554223-0.350228478635-1.025931168630.84057249093-0.7492687123211.657852323810.587570251605-0.7595665365340.790446595480.958330550096-0.2316255940750.2139067517991.04798462166-0.06147627624231.17510057939-29.4-13.89373.215
275.563502185482.684947631551.09065195146.230100175433.348367734097.6227158038-0.1309962300240.3994791099910.9361281869440.498386649709-0.8902412408612.93520287061-0.266436432387-1.22747001881.06030894130.5965819326-0.05287769698880.008733368948360.990019196683-0.05845438690831.18055377072-27.972-1.92967.243
283.45762355721-2.76491701973-1.864755577742.173288450361.407604246594.172521255250.14005644510.193259670787-0.3008886316880.147058327356-0.6231655986271.076979477440.011085295758-1.438869679320.537412730930.9728913287840.1723181829160.3401853570661.760002680340.09328640140881.54926566648-39.66-4.12269.017
297.584691214922.79973122576-0.6317548741932.15763171697-2.111907210794.3530590527-0.1637811190060.7547102762790.625022464491-0.244131046280.2435004377681.7686492354-0.328693836213-0.706526634579-0.112908096090.9292004563950.132097101588-0.1290978034731.06335264028-0.06368742629331.16895491956-29.0080.7859.72
305.38418937367-0.3221691908881.007920809522.572667440422.328146399847.22751468919-0.2526979919410.308741942737-0.161077393949-0.831732653689-0.0273005086421-0.6785609184380.3579715442610.8294910032520.3137470159990.7387805641240.1288477213410.1081822357760.7860098569390.09400707618940.81501047763410.554-69.58647.553
317.06653846012-4.26120994943-0.8394895726044.789583432661.508280923284.38488313792-0.4973195612470.0364165848166-0.941666233494-0.7307636394550.18548861762-1.378548769870.3164616401771.45435127060.3567385967450.7221242101970.1752954303720.206365882791.29085901870.01403559745841.0424701354621.797-72.84648.683
325.539671753350.92072810660.4659356953127.895609668162.237526672585.615008702690.282302062683-0.558097188516-0.6129056804021.01476362578-0.198500365711-2.029037508580.1201221284930.955226337448-0.08607043845640.8760461845-0.0826847412172-0.208025136061.161360425540.1210018341631.1476358652115.544-62.56657.812
334.152758112331.043265518980.7656284143134.88504204481-0.8841910017593.44577788284-0.0763849660359-0.2499803862750.5074250976490.0196825893481-0.05239631963770.175122775486-0.12173566112-0.1943978546220.1139690500280.454211036550.0184573725258-0.09657310329370.360798799143-0.06955348655630.516851147338-31.245-11.75716.344
344.77401198224-0.4502977962630.57125264952.36645001952-0.002246925933934.707285886570.5552038206431.17568763451-0.152907630781-0.615026346083-0.5520846744590.0513667903390.7154792836820.788838472794-0.02289400995520.7073904051240.164314271481-0.124013710230.9026599539670.1115829577490.472469098948-4.395-14.786-2.801
354.91336205023-0.852346665029-3.184466535162.80292108472.075167468735.200760761820.2759742504482.122817411540.702025777823-0.57359812851-0.437366121901-0.5416771293460.3592565727160.6244123295170.06592649739071.098566141940.339432608779-0.054360454591.857954900780.2837199775550.656463160718-0.647-12.242-11.923
369.871203596686.50006865095-4.700185949794.35928922207-3.327557554476.3595082235-1.131119153570.3609298466440.28032993286-1.314775550680.5526787998110.5188155801860.525917644221-0.2052807310370.5631942694370.643900401691-0.0659754084895-0.1418066270590.399235744106-0.01759311690690.595084685514-11.557-24.9710.967
375.081062438-4.207753850733.804608524529.01758957154-0.3720847306424.270344058690.05628810989420.6071153370190.611637040803-0.9073531869170.0586851352542-0.171079249087-1.162142472051.07472490219-0.1283562001590.485182283835-0.0704809790206-0.04511276430710.5964019765420.0608571887640.5481758420716.466-9.46210.9
380.1130202633880.0563440676033-0.2519286200550.0178392621104-0.02490397254950.3787543326040.232961645880.00164512717674-0.132886729071-0.0417853583302-0.09157908777420.0464631306441-0.0192858498996-0.03992944659470.02757524837450.2976822864470.05322517046710.09413594888010.429821646091-0.02869697101450.425776573096-6.021-16.99214.056
398.3267979682-2.148137381121.240860946570.818790758478-0.256181277661.3163962723-0.106916901229-0.2224415600370.4588413476790.2512335237230.0760545585745-0.04718785298410.0241659190643-0.09465804400550.02603862568860.650173160548-0.0509487112079-0.04250295235370.3859872847420.004959208264950.534766851001-7.709-20.82721.594
406.158476643652.584328945421.188965128672.47749630957-0.03490664939441.9399472934-0.08656228916650.278079276244-0.0342343700851-0.29525715459-0.004111221779470.1216010866220.0923817120880.1824820123420.05529174850020.561137238628-0.0239490532871-0.03914869627960.39770548440.0191526536590.426481278127-5.615-17.67314.83
416.968717562892.478696205331.305470355514.858944555130.6269892022132.480118435520.3639469613660.319190682157-0.559065309658-0.0465904648589-0.117170087529-0.1684993386180.461576416870.177712187228-0.2109462966030.5902981117960.0393895985382-0.1636892169980.403497827675-0.01584451527620.535370462813-2.827-26.96514.459
429.75196359137-0.3337190225660.6182360441715.57848658104-2.036373398245.14393909962-0.0471866129934-0.3263649875381.941576795550.482375718973-0.2544728478351.18513962864-0.48766908355-0.5154078366510.2979737454840.5263783763570.0375693615239-0.1404129323670.492163406127-0.06727355947580.791074952135-37.732-9.75818.996
436.43833524736-5.57932249971-2.026669033677.597610279754.301477005126.07194553991-0.438698739190.654050490863-1.09387103052-0.398222511012-0.121395870462-0.2309798310151.788168845250.5534757564310.5838593175860.7152296102810.055580062448-0.1275394834960.489610609332-0.0600103411010.7203675349775.798-44.18825.108
446.20937996875-0.934106823153-2.900005923111.644819216031.067573082926.306405366690.00656450123015-0.324148082464-1.051905021710.1674429623-0.272108748614-0.1296498393920.936588094003-0.1615259073010.2780860876680.985613785255-0.122807648794-0.2076332172050.5180899448340.1740374880890.709345451241-3.507-44.39838.85
457.387806704225.66130303955.048115706774.797585875553.329837613934.18509228181-0.4803394657960.605444341995-2.53624318290.2108122063650.65238534237-1.924248603511.607390378021.21794070019-0.2581190076551.01370292440.07747127525350.01512044524070.701057880474-0.04675330879360.98782398499912.039-35.38924.738
468.577302714176.565681628651.323312947387.479121701480.881687800454.789474992360.150762387263-0.1016635940160.284068220401-0.201885121681-0.07663412122550.6494043047720.45436710574-0.198335543182-0.1426772958460.636597403981-0.0241414830255-0.1294609798560.3536114030690.07934970990180.537399244801-4.524-33.67629.634
472.042485646732.04019796079-2.442916267575.794804725440.2998016736967.044212620140.450737438756-1.032102637640.3096888077430.222400575282-0.1755101790870.04682270343370.18580823914-0.140383667069-0.238247123990.613809482844-0.08502158232-0.03499744518070.3770573784130.04198475611140.485709263344-3.021-32.15738.201
483.827100167974.77991737324-3.832691780838.8233792636-1.283113779038.550149119260.347105012527-0.797527088432-1.343024709990.412005403998-0.127090323103-0.5912212648990.2589037664180.831610363455-0.1864467220540.717370612427-0.0726000567257-0.2349135481630.4539752906640.1012310316230.6368440374246.404-38.33236.243
496.834494559134.81152266993-1.703354397225.76229133301-1.106739244447.695273033870.269119456524-0.46518819794-0.4431341240460.502408477261-0.2520995788390.2381327288240.5497208017790.0174253530566-0.06324037891390.61065634931-0.0345982703173-0.1557571485570.4240521346650.1057245079060.665615011704-8.053-38.99333.774
502.656646455252.68260477858-4.858354853425.36567559061-5.022792004529.07365009054-0.3538179115380.613519075539-0.625420000242-0.3516593211760.210664748842-0.7685051936971.11519277310.05526032459650.3119680713210.6320982208470.109312504442-0.1445393616420.41052339807-0.02385099925380.7304288241333.97-36.01920.588
512.81082579038-2.19092707858-3.426369828237.768378516363.663723170384.38553665744-0.589983383193-0.629840182182-1.527827258180.818136992288-0.1940785355410.20967813682.49333511168-0.9308739480610.7498533064430.970817516755-0.22370341635-0.1552898215790.6710907621820.1841344824810.892781782266-12.646-47.19237.299
522.37752614332.43477851699-2.545464730239.67847160658-4.167066176183.275246603250.144844722182-0.4122867719212.31599595423-0.7041014320330.6197903912752.08803921161-0.293515038376-1.70132343577-0.715468373780.7468361684760.0914457351228-0.09107483949550.87418593809-0.04365290146441.19970184092-49.923-2.50218.363
534.26756619243-2.69483005850.6756078722753.571762686710.8211637676533.48189181118-0.360008419972-0.3578064010361.30926286228-0.680352308273-0.0797795468429-0.0744885094799-0.604006614752-0.6028101271890.2004036810910.3623949886260.1053283807620.03224779384180.691723629244-0.2529763152530.821271556446-43.018-3.61624.048
543.13208444514-0.853019438299-0.9260794431413.111331793351.917698984563.6188605186-0.207540198903-0.9440154542550.9820123289410.426445974284-0.08859703910021.936594431740.429840830558-0.9496324894760.2925216372590.7526540906980.1432490509570.2076580875381.35240511502-0.08240260233891.26831328516-54.146-6.59330.645
555.488733973731.388601755450.01453640053996.699253497883.613159000456.966502115150.427253489006-1.127275310780.1646505572840.812927308831-0.6930429555550.8824264720340.0569243322144-0.6560030403440.3397935551480.602841164168-0.1086985913230.04511227028480.95386820292-0.03832657134110.765162346622-43.8-14.06531.666
566.372600535591.151644923250.6402932422493.51934690926-0.3042436735014.888212091840.0193893564155-0.37317270795-0.3493564156150.271857827583-0.276037832456-0.3407482693840.1803163911930.5448411806080.2507001672080.968646581819-0.0947746806484-0.1190314457970.4967064055790.1165838251250.553506631196-4.3-64.92861.384
572.86074466090.750513509753-0.6339694065474.05390097609-1.020925530743.59109802995-0.003414319080870.2013864855280.265560572585-0.259067886389-0.125883150487-0.0684595609929-0.2580906802410.03008601476960.09986559368680.950582008743-0.0868145820691-0.08423033103540.4635653062690.1153986129160.567442454663-5.595-55.81248.568
584.65337996163-0.380115168043-1.069527580571.813280632350.2418035337964.01161639067-0.07540521900880.0850944124238-0.301584310612-0.2148559249-0.11065583715-0.1379902078980.217073236521-0.3461908479640.1966534424330.908110122365-0.0275912566828-0.2103582312450.4494302218030.01203780224450.357352037959-14.868-63.57150.518
597.69304408869-2.65815240212.952333436464.64419736872-1.054675430124.0980636332-0.3653450008270.5439044476710.475041423366-0.514424588268-0.2686732423210.509124902896-0.970864371451-1.401435171050.5787151851911.123958464320.152213899153-0.3336941500741.10284419929-0.07958497372390.639463206798-39.164-54.69155.023
602.528678415460.1238042498250.5500703157315.158865621060.6840304715771.66423767581-0.2600411536040.3212601159750.357690437499-0.6609794407080.110469143021-0.163678498137-0.3899160140010.2507954918820.1322205753320.794741822408-0.20917069295-0.1611790228240.5369326346670.1777223820360.625700570577-22.504-64.1538.391
617.343592975050.0952237706291-0.9252639637332.04552745894-0.5753812470773.16047305370.0959917920713-1.662879364940.08809269580590.478469325692-0.02387361348120.0364622615714-0.0458084988126-0.415042625597-0.03630193508450.936845108231-0.0810526452145-0.2481380212310.940751531953-0.001223211895310.558666895674-47.181-50.47529.555
623.37427966773-1.48155076423-0.02491696226212.41942028569-2.451804747364.46844046561-0.03956670753660.07177209014450.04191803874530.15765494388-0.453241342006-0.351371446421-0.39290340908-0.09366960400560.4450210366760.933011844344-0.159576443143-0.1232408482170.54713679989-0.03385559515220.542385743198-9.094-11.77356.602
631.73725889541-0.402779613682-0.1412450960066.818170423520.1552597993.76374810364-0.0192498326636-0.0427973186407-0.060267085233-0.130804700754-0.117897646340.6884425099340.114848761529-0.4376543005770.1299476612920.646342590049-0.122891497601-0.1234706817470.5135456754730.004726076779140.604221294679-12.998-8.97965.294
645.84653676723-0.381837613917-1.425815784441.764152104320.934264781364.09173080798-0.1699670011640.0886541866671-0.431917729584-0.184851556142-0.0953659415043-0.4892422315681.191382551781.421213841170.1605400038890.9425551253270.313243478577-0.08724868754941.089563169570.2072982276930.54359838464715.361-27.34357.972
658.43548435075-0.8259119647592.720586088544.00583074675-0.4453475407142.43135168691-0.213646382455-0.5519071104070.03602475652950.46248362704-0.109323424015-0.5432017545660.3035235068331.723435012030.2898826607120.8051937235880.115260417356-0.1396902969091.356863651690.1554033694660.52742967960821.241-22.87362.224
665.767217470432.57856702303-2.588574481943.26794706402-2.048857403466.68907399329-0.2711175528080.2216851730620.126944349727-0.5865246427930.0617476279252-0.0267108016311-0.45522483381-0.1650223774790.1232356666050.8872934745980.00818034225575-0.2224440559910.3905977200850.01622531492860.559608431357-23.883-55.0170.033
675.40115931817-0.704376989975-6.296362714245.035268959930.7587176342786.96709686562-0.18986919893-0.232888294823-0.290338816548-0.2729091909430.0740849148064-0.03991119365640.2282952655470.2999141314430.1711169332750.808371575356-0.149672188072-0.3000580570140.430307352180.02952008011070.548126630633-17.38-56.51170.148
683.675683555941.80744365099-4.348776925874.71194534517-0.9743350548565.67035231583-0.08953260819110.307677528210.128522197889-0.231762332867-0.07503438464850.402797300758-0.618595720206-0.3196492430720.1523670850830.8876004654350.0434373287976-0.2839385977470.491951658407-0.01970467097540.531291437822-26.608-52.52474.164
692.85034352076-3.63712149732-3.066688680498.411068241155.567184005846.67461554053-0.292150343226-0.38325287128-0.2576201144191.328579024660.184745112724-0.243211327980.8434248171250.04693260375020.1315932525580.816934707253-0.156818261476-0.2756782388550.4942755786020.1662001621370.640061140765-46.241-64.55913.588
704.8663561544-3.488801486231.212166744733.76327877619-2.412199254752.231661522570.093611878239-0.4491461236890.7213118103160.687221656026-0.0425463585707-0.699631589855-0.876776668088-0.313246599827-0.0698661989280.758990004109-0.0445974036777-0.2001660942910.4989262096990.02217187572850.665640305707-53.456-41.98613.712
717.01210467421-5.582801706470.7091769085074.38850133698-0.6817207102680.43188164166-0.194296877222-0.2700819279320.09798103236860.7064982266580.202136099175-1.04743322818-0.2369518359310.0796307954647-0.003123378111640.568386157688-0.0752625538979-0.1976315102140.4512019283490.04858490394440.551846297702-46.807-54.94610.486
722.949511982930.8175433641821.820896263672.84845000131-1.858234889723.355205291330.7242552673940.417109366846-0.323074061542-0.956213847379-0.424220836486-0.1485835765550.5578506954620.109586170022-0.2582984319310.74540655151-0.107593121096-0.1530310343120.3791364142940.04564070072580.542186260534-47.598-63.3744.022
737.76425794722-3.36317082433-0.1500577839967.749228437173.348577529832.001122403570.116754606391-0.0973707150563-0.296126686016-1.224668329280.2291504566120.577981476315-0.360961248618-0.542067660776-0.3498638456350.551762432633-0.0171146019908-0.1187382931250.5762102446760.1383620807790.487471322061-59.163-55.530.102
744.76917130778-5.531302709085.124786341046.43041938876-5.978943678295.541663775810.8532890036361.107344574810.790715172405-1.22931140497-0.3709948493630.106697357015-0.1474630409880.104005617928-0.34940354160.941579216639-0.189537975444-0.1530420231370.6174561161640.07821667832750.666727508781-47.392-52.946-0.799
755.19088889906-6.900393892761.958842430419.18540696636-2.578709161390.81598245563-0.667655203091-0.09879200893931.622610980060.742339270449-0.186162797673-2.24731414791-0.8877038937060.4372515085490.5901854071150.727276586527-0.22935090192-0.1493675371420.569122714849-0.02564145579690.788180747262-34.996-60.3327.461
764.83295889442-4.293385316080.4256157398454.82799134387-2.102114939362.919388990410.242718414443-1.31182932887-0.05146546434831.910595693990.681505347181-1.275488400490.1497196290060.44478399332-0.7324869748430.853186146739-0.100947997899-0.3793861378630.683802997209-0.01358922660050.784812605202-33.047-67.7415.721
775.10382028244-3.055006567353.066496797226.84563293353-0.009018988534933.940522553591.10522241186-0.454480953293-0.5091483839690.946942611614-0.581074126503-0.2145444817330.848271582867-0.451059865175-0.01962368262530.255988595056-0.006223140912080.2024441560170.412165844141-0.06998656151540.36870588111-45.435-53.986.979
782.011576607440.03080036899011.334496040717.992861505022.502215127312.00234904341-0.593479557774-0.525265488660.8658949283530.748832753013-0.3595883750170.965909882576-0.818812232755-0.9582322345540.8305244591580.9433463792960.0179297374684-0.1980846875180.7814519334760.003212433062440.720074912067-64.165-47.3759.76
794.02937641471-4.261546069910.08644281403255.757819026981.087632446821.284171537090.264562851636-0.507397905226-0.2319721751340.3568771252680.0842171493730.05542085290010.423423211364-0.242197817495-0.3421558885310.776870594244-0.158461679181-0.2325653014680.5545620007010.0720041596640.713265696752-52.779-66.2376.458
806.83556739266-1.356139270021.731590235762.06204858629-0.633023998846.24850661670.0943750550584-1.0609097217-0.01836199317131.286177376990.2911156385810.2600658992730.227693687554-1.02839894403-0.3201175624560.607018701643-0.0967709082413-0.01546955499020.7198058532780.0666958172090.542809335298-57.217-55.93814.88
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN M AND RESID 1:11 )M1 - 11
2X-RAY DIFFRACTION2( CHAIN M AND RESID 12:19 )M12 - 19
3X-RAY DIFFRACTION3( CHAIN M AND RESID 20:30 )M20 - 30
4X-RAY DIFFRACTION4( CHAIN M AND RESID 31:61 )M31 - 61
5X-RAY DIFFRACTION5( CHAIN M AND RESID 62:99 )M62 - 99
6X-RAY DIFFRACTION6( CHAIN E AND RESID 1:10 )E1 - 10
7X-RAY DIFFRACTION7( CHAIN J AND RESID 1:10 )J1 - 10
8X-RAY DIFFRACTION8( CHAIN N AND RESID 1:10 )N1 - 10
9X-RAY DIFFRACTION9( CHAIN F AND RESID 3:28 )F3 - 28
10X-RAY DIFFRACTION10( CHAIN F AND RESID 29:35 )F29 - 35
11X-RAY DIFFRACTION11( CHAIN F AND RESID 36:61 )F36 - 61
12X-RAY DIFFRACTION12( CHAIN F AND RESID 62:74 )F62 - 74
13X-RAY DIFFRACTION13( CHAIN F AND RESID 75:92 )F75 - 92
14X-RAY DIFFRACTION14( CHAIN F AND RESID 93:111 )F93 - 111
15X-RAY DIFFRACTION15( CHAIN F AND RESID 112:119 )F112 - 119
16X-RAY DIFFRACTION16( CHAIN K AND RESID 3:28 )K3 - 28
17X-RAY DIFFRACTION17( CHAIN K AND RESID 29:35 )K29 - 35
18X-RAY DIFFRACTION18( CHAIN K AND RESID 36:100 )K36 - 100
19X-RAY DIFFRACTION19( CHAIN K AND RESID 101:119 )K101 - 119
20X-RAY DIFFRACTION20( CHAIN O AND RESID 3:26 )O3 - 26
21X-RAY DIFFRACTION21( CHAIN O AND RESID 27:35 )O27 - 35
22X-RAY DIFFRACTION22( CHAIN O AND RESID 36:111 )O36 - 111
23X-RAY DIFFRACTION23( CHAIN O AND RESID 112:119 )O112 - 119
24X-RAY DIFFRACTION24( CHAIN R AND RESID 1:52 )R1 - 52
25X-RAY DIFFRACTION25( CHAIN R AND RESID 53:102 )R53 - 102
26X-RAY DIFFRACTION26( CHAIN S AND RESID 1:24 )S1 - 24
27X-RAY DIFFRACTION27( CHAIN S AND RESID 25:52 )S25 - 52
28X-RAY DIFFRACTION28( CHAIN S AND RESID 53:70 )S53 - 70
29X-RAY DIFFRACTION29( CHAIN S AND RESID 71:102 )S71 - 102
30X-RAY DIFFRACTION30( CHAIN T AND RESID 1:52 )T1 - 52
31X-RAY DIFFRACTION31( CHAIN T AND RESID 53:70 )T53 - 70
32X-RAY DIFFRACTION32( CHAIN T AND RESID 71:102 )T71 - 102
33X-RAY DIFFRACTION33( CHAIN A AND RESID 1:174 )A1 - 174
34X-RAY DIFFRACTION34( CHAIN A AND RESID 175:250 )A175 - 250
35X-RAY DIFFRACTION35( CHAIN A AND RESID 251:276 )A251 - 276
36X-RAY DIFFRACTION36( CHAIN B AND RESID 1:11 )B1 - 11
37X-RAY DIFFRACTION37( CHAIN B AND RESID 12:19 )B12 - 19
38X-RAY DIFFRACTION38( CHAIN B AND RESID 20:30 )B20 - 30
39X-RAY DIFFRACTION39( CHAIN B AND RESID 31:56 )B31 - 56
40X-RAY DIFFRACTION40( CHAIN B AND RESID 57:77 )B57 - 77
41X-RAY DIFFRACTION41( CHAIN B AND RESID 78:99 )B78 - 99
42X-RAY DIFFRACTION42( CHAIN P AND RESID 1:10 )P1 - 10
43X-RAY DIFFRACTION43( CHAIN G AND RESID 3:9 )G3 - 9
44X-RAY DIFFRACTION44( CHAIN G AND RESID 10:27 )G10 - 27
45X-RAY DIFFRACTION45( CHAIN G AND RESID 28:35 )G28 - 35
46X-RAY DIFFRACTION46( CHAIN G AND RESID 36:61 )G36 - 61
47X-RAY DIFFRACTION47( CHAIN G AND RESID 62:74 )G62 - 74
48X-RAY DIFFRACTION48( CHAIN G AND RESID 75:84 )G75 - 84
49X-RAY DIFFRACTION49( CHAIN G AND RESID 85:100 )G85 - 100
50X-RAY DIFFRACTION50( CHAIN G AND RESID 101:111 )G101 - 111
51X-RAY DIFFRACTION51( CHAIN G AND RESID 112:119 )G112 - 119
52X-RAY DIFFRACTION52( CHAIN Q AND RESID 1:16 )Q1 - 16
53X-RAY DIFFRACTION53( CHAIN Q AND RESID 17:47 )Q17 - 47
54X-RAY DIFFRACTION54( CHAIN Q AND RESID 48:70 )Q48 - 70
55X-RAY DIFFRACTION55( CHAIN Q AND RESID 71:102 )Q71 - 102
56X-RAY DIFFRACTION56( CHAIN C AND RESID 1:84 )C1 - 84
57X-RAY DIFFRACTION57( CHAIN C AND RESID 85:137 )C85 - 137
58X-RAY DIFFRACTION58( CHAIN C AND RESID 138:197 )C138 - 197
59X-RAY DIFFRACTION59( CHAIN C AND RESID 198:276 )C198 - 276
60X-RAY DIFFRACTION60( CHAIN H AND RESID 1:174 )H1 - 174
61X-RAY DIFFRACTION61( CHAIN H AND RESID 175:276 )H175 - 276
62X-RAY DIFFRACTION62( CHAIN L AND RESID 1:37 )L1 - 37
63X-RAY DIFFRACTION63( CHAIN L AND RESID 38:174 )L38 - 174
64X-RAY DIFFRACTION64( CHAIN L AND RESID 175:197 )L175 - 197
65X-RAY DIFFRACTION65( CHAIN L AND RESID 198:276 )L198 - 276
66X-RAY DIFFRACTION66( CHAIN D AND RESID 1:41 )D1 - 41
67X-RAY DIFFRACTION67( CHAIN D AND RESID 42:61 )D42 - 61
68X-RAY DIFFRACTION68( CHAIN D AND RESID 62:99 )D62 - 99
69X-RAY DIFFRACTION69( CHAIN I AND RESID 1:11 )I1 - 11
70X-RAY DIFFRACTION70( CHAIN I AND RESID 12:19 )I12 - 19
71X-RAY DIFFRACTION71( CHAIN I AND RESID 20:30 )I20 - 30
72X-RAY DIFFRACTION72( CHAIN I AND RESID 31:41 )I31 - 41
73X-RAY DIFFRACTION73( CHAIN I AND RESID 42:46 )I42 - 46
74X-RAY DIFFRACTION74( CHAIN I AND RESID 47:51 )I47 - 51
75X-RAY DIFFRACTION75( CHAIN I AND RESID 52:56 )I52 - 56
76X-RAY DIFFRACTION76( CHAIN I AND RESID 57:61 )I57 - 61
77X-RAY DIFFRACTION77( CHAIN I AND RESID 62:71 )I62 - 71
78X-RAY DIFFRACTION78( CHAIN I AND RESID 72:77 )I72 - 77
79X-RAY DIFFRACTION79( CHAIN I AND RESID 78:90 )I78 - 90
80X-RAY DIFFRACTION80( CHAIN I AND RESID 91:99 )I91 - 99

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  • In this update, many items about electron microscopy experimental information are reorganized (e.g. em_software).
  • Now, EM Navigator and Yorodumi are based on the updated data.

External links:wwPDB Remediation / Enriched Model Files Conforming to OneDep Data Standards Now Available in the PDB FTP Archive

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Yorodumi

Thousand views of thousand structures

  • Yorodumi is a browser for structure data from EMDB, PDB, SASBDB, etc.
  • This page is also the successor to EM Navigator detail page, and also detail information page/front-end page for Omokage search.
  • The word "yorodu" (or yorozu) is an old Japanese word meaning "ten thousand". "mi" (miru) is to see.

Related info.:EMDB / PDB / SASBDB / Comparison of 3 databanks / Yorodumi Search / Aug 31, 2016. New EM Navigator & Yorodumi / Yorodumi Papers / Jmol/JSmol / Function and homology information / Changes in new EM Navigator and Yorodumi

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