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- PDB-8pnr: Structure of human KCTD15 BTB domain mutant G88D crystal form 1 -

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Basic information

Entry
Database: PDB / ID: 8pnr
TitleStructure of human KCTD15 BTB domain mutant G88D crystal form 1
ComponentsBTB/POZ domain-containing protein KCTD15
KeywordsGENE REGULATION / Oligomerisation / BTB domain
Function / homology
Function and homology information


Negative regulation of activity of TFAP2 (AP-2) family transcription factors / protein homooligomerization / identical protein binding / nucleus
Similarity search - Function
KCTD15, tetramerisation-type BTB domain / : / BTB/POZ domain-containing protein KCTD1/15, C-terminal domain / Potassium channel tetramerisation-type BTB domain / BTB/POZ domain / Broad-Complex, Tramtrack and Bric a brac / BTB/POZ domain / SKP1/BTB/POZ domain superfamily
Similarity search - Domain/homology
BTB/POZ domain-containing protein KCTD15
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.25 Å
AuthorsCruz Walma, D.A. / Cros, J. / Bradshaw, W. / Richardson, W. / Chen, Z. / Chalk, R. / Wilkie, A. / Bullock, A.N.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of Dental and Craniofacial Research (NIH/NIDCR) United States
CitationJournal: J Med Genet / Year: 2024
Title: BTB domain mutations perturbing KCTD15 oligomerisation cause a distinctive frontonasal dysplasia syndrome.
Authors: Miller, K.A. / Cruz Walma, D.A. / Pinkas, D.M. / Tooze, R.S. / Bufton, J.C. / Richardson, W. / Manning, C.E. / Hunt, A.E. / Cros, J. / Hartill, V. / Parker, M.J. / McGowan, S.J. / Twigg, S.R. ...Authors: Miller, K.A. / Cruz Walma, D.A. / Pinkas, D.M. / Tooze, R.S. / Bufton, J.C. / Richardson, W. / Manning, C.E. / Hunt, A.E. / Cros, J. / Hartill, V. / Parker, M.J. / McGowan, S.J. / Twigg, S.R.F. / Chalk, R. / Staunton, D. / Johnson, D. / Wilkie, A.O.M. / Bullock, A.N.
History
DepositionJun 30, 2023Deposition site: PDBE / Processing site: PDBE
Revision 1.0Mar 20, 2024Provider: repository / Type: Initial release
Revision 1.1May 1, 2024Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
C: BTB/POZ domain-containing protein KCTD15
A: BTB/POZ domain-containing protein KCTD15
J: BTB/POZ domain-containing protein KCTD15
I: BTB/POZ domain-containing protein KCTD15
B: BTB/POZ domain-containing protein KCTD15
E: BTB/POZ domain-containing protein KCTD15
G: BTB/POZ domain-containing protein KCTD15
H: BTB/POZ domain-containing protein KCTD15
K: BTB/POZ domain-containing protein KCTD15
L: BTB/POZ domain-containing protein KCTD15
D: BTB/POZ domain-containing protein KCTD15
F: BTB/POZ domain-containing protein KCTD15


Theoretical massNumber of molelcules
Total (without water)166,97712
Polymers166,97712
Non-polymers00
Water1,60389
1
C: BTB/POZ domain-containing protein KCTD15
A: BTB/POZ domain-containing protein KCTD15
J: BTB/POZ domain-containing protein KCTD15
I: BTB/POZ domain-containing protein KCTD15
D: BTB/POZ domain-containing protein KCTD15
F: BTB/POZ domain-containing protein KCTD15


Theoretical massNumber of molelcules
Total (without water)83,4886
Polymers83,4886
Non-polymers00
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: BTB/POZ domain-containing protein KCTD15
E: BTB/POZ domain-containing protein KCTD15
G: BTB/POZ domain-containing protein KCTD15
H: BTB/POZ domain-containing protein KCTD15
K: BTB/POZ domain-containing protein KCTD15
L: BTB/POZ domain-containing protein KCTD15


Theoretical massNumber of molelcules
Total (without water)83,4886
Polymers83,4886
Non-polymers00
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)151.081, 151.081, 155.987
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number96
Space group name H-MP43212
Space group name HallP4nw2abw
Symmetry operation#1: x,y,z
#2: -y+1/2,x+1/2,z+3/4
#3: y+1/2,-x+1/2,z+1/4
#4: x+1/2,-y+1/2,-z+1/4
#5: -x+1/2,y+1/2,-z+3/4
#6: -x,-y,z+1/2
#7: y,x,-z
#8: -y,-x,-z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 6 through 15 or resid 17...
d_2ens_1(chain "B" and ((resid 6 through 7 and (name N...
d_3ens_1(chain "C" and (resid 6 through 15 or resid 17...
d_4ens_1(chain "D" and (resid 6 through 15 or resid 17...
d_5ens_1(chain "E" and ((resid 6 through 7 and (name N...
d_6ens_1(chain "F" and (resid 6 through 15 or resid 17...
d_7ens_1(chain "G" and ((resid 6 through 7 and (name N...
d_8ens_1(chain "H" and ((resid 6 through 7 and (name N...
d_9ens_1(chain "I" and ((resid 6 through 7 and (name N...
d_10ens_1(chain "J" and ((resid 6 through 7 and (name N...
d_11ens_1(chain "K" and ((resid 6 through 7 and (name N...
d_12ens_1(chain "L" and (resid 6 through 15 or resid 17...

NCS domain segments:

Ens-ID: ens_1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11ASNASNGLYGLYEF6 - 156 - 15
d_12METMETASNASNEF17 - 3817 - 38
d_13TYRTYRARGARGEF52 - 5652 - 56
d_14GLYGLYPHEPHEEF58 - 6158 - 61
d_15TYRTYRPROPROEF63 - 7663 - 76
d_16PHEPHEALAALAEF79 - 8979 - 89
d_17TYRTYRTRPTRPEF91 - 10491 - 104
d_21ASNASNGLYGLYFL6 - 156 - 15
d_22METMETASNASNFL17 - 3817 - 38
d_23TYRTYRARGARGFL52 - 5652 - 56
d_24GLYGLYPHEPHEFL58 - 6158 - 61
d_25TYRTYRPROPROFL63 - 7663 - 76
d_26PHEPHEALAALAFL79 - 8979 - 89
d_27TYRTYRTRPTRPFL91 - 10491 - 104
d_31ASNASNGLYGLYBE6 - 156 - 15
d_32METMETASNASNBE17 - 3817 - 38
d_33TYRTYRARGARGBE52 - 5652 - 56
d_34GLYGLYPHEPHEBE58 - 6158 - 61
d_35TYRTYRPROPROBE63 - 7663 - 76
d_36PHEPHEALAALABE79 - 8979 - 89
d_37TYRTYRTRPTRPBE91 - 10491 - 104
d_41ASNASNGLYGLYID6 - 156 - 15
d_42METMETASNASNID17 - 3817 - 38
d_43TYRTYRARGARGID52 - 5652 - 56
d_44GLYGLYPHEPHEID58 - 6158 - 61
d_45TYRTYRPROPROID63 - 7663 - 76
d_46PHEPHEALAALAID79 - 8979 - 89
d_47TYRTYRTRPTRPID91 - 10491 - 104
d_51ASNASNGLYGLYLJ6 - 156 - 15
d_52METMETASNASNLJ17 - 3817 - 38
d_53TYRTYRARGARGLJ52 - 5652 - 56
d_54GLYGLYPHEPHELJ58 - 6158 - 61
d_55TYRTYRPROPROLJ63 - 7663 - 76
d_56PHEPHEALAALALJ79 - 8979 - 89
d_57TYRTYRTRPTRPLJ91 - 10491 - 104
d_61ASNASNGLYGLYJC6 - 156 - 15
d_62METMETASNASNJC17 - 3817 - 38
d_63TYRTYRARGARGJC52 - 5652 - 56
d_64GLYGLYPHEPHEJC58 - 6158 - 61
d_65TYRTYRPROPROJC63 - 7663 - 76
d_66PHEPHEALAALAJC79 - 8979 - 89
d_67TYRTYRTRPTRPJC91 - 10491 - 104
d_71ASNASNGLYGLYGG6 - 156 - 15
d_72METMETASNASNGG17 - 3817 - 38
d_73TYRTYRARGARGGG52 - 5652 - 56
d_74GLYGLYPHEPHEGG58 - 6158 - 61
d_75TYRTYRPROPROGG63 - 7663 - 76
d_76PHEPHEALAALAGG79 - 8979 - 89
d_77TYRTYRTRPTRPGG91 - 10491 - 104
d_81ASNASNGLYGLYHH6 - 156 - 15
d_82METMETASNASNHH17 - 3817 - 38
d_83TYRTYRARGARGHH52 - 5652 - 56
d_84GLYGLYPHEPHEHH58 - 6158 - 61
d_85TYRTYRPROPROHH63 - 7663 - 76
d_86PHEPHEALAALAHH79 - 8979 - 89
d_87TYRTYRTRPTRPHH91 - 10491 - 104
d_91ASNASNGLYGLYKI6 - 156 - 15
d_92METMETASNASNKI17 - 3817 - 38
d_93TYRTYRARGARGKI52 - 5652 - 56
d_94GLYGLYPHEPHEKI58 - 6158 - 61
d_95TYRTYRPROPROKI63 - 7663 - 76
d_96PHEPHEALAALAKI79 - 8979 - 89
d_97TYRTYRTRPTRPKI91 - 10491 - 104
d_101ASNASNGLYGLYAB6 - 156 - 15
d_102METMETASNASNAB17 - 3817 - 38
d_103TYRTYRARGARGAB52 - 5652 - 56
d_104GLYGLYPHEPHEAB58 - 6158 - 61
d_105TYRTYRPROPROAB63 - 7663 - 76
d_106PHEPHEALAALAAB79 - 8979 - 89
d_107TYRTYRTRPTRPAB91 - 10491 - 104
d_111ASNASNGLYGLYDK6 - 156 - 15
d_112METMETASNASNDK17 - 3817 - 38
d_113TYRTYRARGARGDK52 - 5652 - 56
d_114GLYGLYPHEPHEDK58 - 6158 - 61
d_115TYRTYRPROPRODK63 - 7663 - 76
d_116PHEPHEALAALADK79 - 8979 - 89
d_117TYRTYRTRPTRPDK91 - 10491 - 104
d_121ASNASNGLYGLYCA6 - 156 - 15
d_122METMETASNASNCA17 - 3817 - 38
d_123TYRTYRARGARGCA52 - 5652 - 56
d_124GLYGLYPHEPHECA58 - 6158 - 61
d_125TYRTYRPROPROCA63 - 7663 - 76
d_126PHEPHEALAALACA79 - 8979 - 89
d_127TYRTYRTRPTRPCA91 - 10491 - 104

NCS oper:
IDCodeMatrixVector
1given(0.883115793546, -0.0361855938348, -0.467757520504), (-0.445168617494, 0.250086009265, -0.859815032416), (0.148092529143, 0.96754720338, 0.204746213746)27.6309509732, -10.2216068821, 56.025745986
2given(0.615875300275, 0.516553410837, -0.594869891879), (-0.76131662038, 0.58448819664, -0.280660919122), (0.202718075279, 0.62573646349, 0.753232540597)5.08341311285, -21.8409328621, 17.5723166454
3given(-0.0959565160458, -0.976374706402, -0.193609864744), (0.353236830581, -0.215249845171, 0.91043464657), (-0.930599854153, 0.0189720017808, 0.365546131971)-40.9123145478, -25.7240812759, -13.5112764021
4given(0.816326592914, -0.549029350487, -0.179381342411), (0.362641513836, 0.728913697303, -0.580668540845), (0.449557589352, 0.408964049994, 0.794132469849)15.5335606778, 13.9867839104, 48.5034198315
5given(0.648064406664, -0.740904778885, 0.176274313048), (0.565926310993, 0.623382130449, 0.539557346315), (-0.509646873179, -0.249909639795, 0.823289278806)-23.6763126795, -2.93975302801, -12.3824767867
6given(0.0213030027928, -0.0939440117526, -0.99534953897), (-0.0527415961833, -0.994294790719, 0.0927156576871), (-0.998380942378, 0.050521201531, -0.0261362218352)13.941009051, -35.4829799236, 17.5465690994
7given(0.30375018365, -0.897873026935, -0.318684567298), (0.952540114382, 0.293239714696, 0.0817178084499), (0.020078755565, -0.32838163351, 0.94433169297)-0.90831651122, 13.8412604978, 24.6714710426
8given(-0.130002233259, 0.233545483407, -0.963616068011), (-0.962375459333, -0.263598791696, 0.0659481030098), (-0.238606149589, 0.935933856743, 0.259026873473)-14.0004112376, -45.2475353021, 16.8563390285
9given(-0.458436812351, -0.423726325851, -0.781211680572), (-0.432778607255, -0.661320631236, 0.612664426749), (-0.776233448251, 0.618959629929, 0.119794032966)-34.3755024213, -49.3010169924, 2.99520750483
10given(0.51742769429, 0.173044054859, -0.838047931958), (-0.626738244104, -0.590169156094, -0.508821717867), (-0.58263861403, 0.788515137631, -0.196916538584)27.3057998217, -33.7228245702, 40.8238207979
11given(-0.135207691315, -0.676769391966, -0.723672626474), (0.776431804908, -0.526104200605, 0.34694094949), (-0.615526224085, -0.514973358733, 0.596598614865)-1.92512645384, -11.7489198746, 12.262737398

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Components

#1: Protein
BTB/POZ domain-containing protein KCTD15 / Potassium channel tetramerization domain-containing protein 15


Mass: 13914.711 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: KCTD15 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q96SI1
#2: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 89 / Source method: isolated from a natural source / Formula: H2O

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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: 2.67 Å3/Da / Density % sol: 53.85 %
Crystal growTemperature: 277 K / Method: vapor diffusion, sitting drop / Details: 17.5% PEG3350, 0.3M Potassium thiocyanate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.976254 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Sep 25, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.976254 Å / Relative weight: 1
ReflectionResolution: 2.25→77.99 Å / Num. obs: 85815 / % possible obs: 100 % / Redundancy: 27.28 % / Biso Wilson estimate: 65.83 Å2 / CC1/2: 0.9945 / Net I/σ(I): 14.8
Reflection shellResolution: 2.25→2.29 Å / Num. unique obs: 4227 / CC1/2: 0.3134

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
xia2data reduction
DIALSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.25→46.75 Å / SU ML: 0.4154 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 31.5775
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2854 4173 4.87 %
Rwork0.2462 81511 -
obs0.2481 85684 99.96 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 80.17 Å2
Refinement stepCycle: LAST / Resolution: 2.25→46.75 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9447 0 0 89 9536
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00879707
X-RAY DIFFRACTIONf_angle_d1.245513208
X-RAY DIFFRACTIONf_chiral_restr0.06661451
X-RAY DIFFRACTIONf_plane_restr0.01071692
X-RAY DIFFRACTIONf_dihedral_angle_d5.33171319
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2BX-RAY DIFFRACTIONTorsion NCS0.721969067886
ens_1d_3BX-RAY DIFFRACTIONTorsion NCS0.694980204249
ens_1d_4BX-RAY DIFFRACTIONTorsion NCS0.722008776791
ens_1d_5BX-RAY DIFFRACTIONTorsion NCS0.684362197104
ens_1d_6BX-RAY DIFFRACTIONTorsion NCS0.786362172258
ens_1d_7BX-RAY DIFFRACTIONTorsion NCS0.683614545139
ens_1d_8BX-RAY DIFFRACTIONTorsion NCS0.687425743132
ens_1d_9BX-RAY DIFFRACTIONTorsion NCS0.695232064626
ens_1d_10BX-RAY DIFFRACTIONTorsion NCS0.668798610313
ens_1d_11BX-RAY DIFFRACTIONTorsion NCS0.707290485422
ens_1d_12BX-RAY DIFFRACTIONTorsion NCS0.755282571216
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.25-2.280.39531350.38012657X-RAY DIFFRACTION99.47
2.28-2.30.40821190.3682689X-RAY DIFFRACTION99.79
2.3-2.330.34361260.34782704X-RAY DIFFRACTION99.96
2.33-2.360.34691360.33932709X-RAY DIFFRACTION100
2.36-2.390.3231150.31712655X-RAY DIFFRACTION99.93
2.39-2.420.32131460.30922683X-RAY DIFFRACTION100
2.42-2.460.35531500.30542664X-RAY DIFFRACTION100
2.46-2.50.36681380.29882716X-RAY DIFFRACTION100
2.5-2.530.30511460.32644X-RAY DIFFRACTION100
2.53-2.580.32961370.30382696X-RAY DIFFRACTION100
2.58-2.620.35531380.3132702X-RAY DIFFRACTION100
2.62-2.670.42681260.35292681X-RAY DIFFRACTION100
2.67-2.720.39761310.32372715X-RAY DIFFRACTION100
2.72-2.780.35741370.30692691X-RAY DIFFRACTION100
2.78-2.840.34461630.30652672X-RAY DIFFRACTION100
2.84-2.90.4031570.28182678X-RAY DIFFRACTION100
2.9-2.970.35561310.28292726X-RAY DIFFRACTION100
2.97-3.050.28241110.2672728X-RAY DIFFRACTION100
3.05-3.140.32651190.26472740X-RAY DIFFRACTION100
3.14-3.250.28521480.26772683X-RAY DIFFRACTION100
3.25-3.360.35551520.29422712X-RAY DIFFRACTION100
3.36-3.50.30281450.25912702X-RAY DIFFRACTION100
3.5-3.660.26121380.23222733X-RAY DIFFRACTION100
3.66-3.850.28921450.22692715X-RAY DIFFRACTION100
3.85-4.090.271370.22842753X-RAY DIFFRACTION100
4.09-4.40.25751160.22292772X-RAY DIFFRACTION100
4.4-4.850.2441230.19622793X-RAY DIFFRACTION100
4.85-5.550.24841530.21482774X-RAY DIFFRACTION100
5.55-6.990.28461730.23132792X-RAY DIFFRACTION100
6.99-46.750.23661820.22352932X-RAY DIFFRACTION99.68
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)
10.202960572334-0.0768948887243-0.107792051915-0.0428520894576-0.02802261737830.0458310254092-0.2562988794860.169952361379-0.3416051567691.05425259236-0.01130396688790.310263989129-0.4854895920370.1453461087780.001355706578850.925425938-0.1033287859170.05958853885380.5514129707210.02717685031550.684594537902-10.3162602109-52.79900030093.89730001491
20.151113896753-0.4036997748820.02837838751690.633879566388-0.0501049180348-0.07460450388420.233356769281.27540948330.453000480288-1.34204286779-0.1117289689320.712125208250.5846283316950.173379869620.005260931518550.941175486621-0.152327560885-0.1999602192751.02422368836-0.1812096674460.891871220955-13.0194533897-56.4264011544-26.9941727688
30.0690403692186-0.1085407395730.006520004586280.116404190805-0.01282048014180.1754647449151.135559884490.0386127963474-0.1035097632250.171392416566-1.72171719449-0.568935814460.8611565951890.8691917268760.004036079264581.21156706899-0.170056669493-0.3499972140211.153357833940.1111952649330.93237376473-19.6978297939-57.9398893605-31.7291912063
45.17844276395-3.45031283931-0.4122416518432.323363838720.2823018032110.03003826061960.21712815420.373347819559-2.34416650883-1.2194331047-1.49940558081.971712836151.266565936310.576313948757-0.07674207593711.99663083750.52174881539-0.2710945671651.23148801762-0.2863540724730.976397710557-13.3976605204-57.7165290505-38.1362986943
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521.219804926040.132896250501-0.4351274418310.46608815068-0.1877169648370.327537917145-0.1902247945010.5257450397790.380544425861.2072972729-0.2256807751060.151537165273-1.01499491854-2.53334891568-0.0753006678280.7807225595160.296368729551-0.2038751018490.969145892287-0.2244156378370.5954288096837.013200917813.669420398331.0879001404
530.615571262703-0.1518555509140.06759418244824.572166464830.5936181283683.26815285104-0.165948030607-0.7819476416430.1667510851390.716869751402-0.576996549702-0.1726473438170.568580761813-2.12975440915-0.5716720036370.6807768319220.1399479394290.01528431450551.46782951214-0.1553686134860.33481472846130.03813344299.4653687482834.2891295493
541.28853947124-1.48839750861-1.530512063772.238864301360.593908992384.60915745167-1.2688305056-1.024324038990.5130812757161.170218579880.47040433682-1.773298909381.21011690955-0.53250988499-0.02014607684231.187844313770.593084146181-0.3894411801970.542157764417-0.4197488449710.81288084947539.21505437216.9683773835940.7232203479
556.13017051194-1.24358063383-1.652255374133.279557858271.202570857710.792617557474-0.127049515937-0.456722720783-0.5017797130150.866239901120.206597215872-0.242854880848-1.28003816158-0.874770134570.1548346559491.058038871870.460385784628-0.127626502620.936799237397-0.1970079403250.51596241098236.208517653414.389733662441.970049602
564.230815166690.960064647619-3.516697025310.385027885355-0.8213157436772.910734171-0.808782126837-0.0965301387775-0.222086965674-0.363981309589-0.3750442504560.194592727648-0.724838543636-0.738705613055-3.261149814671.040269371570.644137207698-0.07617151925771.66738162893-0.08054357812260.27675422374325.73015216878.1769620349243.4810668224
574.294106991882.175595554153.301676908561.585922836731.744751239752.76506707187-0.721858358823-0.1523826026550.742508293918-0.4475791532690.4450667814830.724231893339-1.253079365980.5505831072820.01988695742720.525662450346-0.0155589314332-0.03106624986230.805402574222-0.2172901834080.68905639251855.6396340322-13.979320203916.4125082429
580.01048878314450.1027558590990.01733874112230.6520217926680.3664221249990.1455604884780.3815656137490.3191345512960.467001557827-0.645288626352-0.4350785633060.4572120838250.04325608761920.7647521179080.001499896609760.7263796977920.00683750913706-0.1702985033560.759387539487-0.1301035167490.78293241656552.2538704347-15.403119365518.0244409331
590.0345476875626-0.128629825433-0.08715366319770.939042384153-0.2287555008250.6983086575050.08302819592370.248651854604-1.528808319220.812882503242-0.7392539479490.4148297060340.5399306127720.879881283468-0.0106124694450.7847719107080.21204511891-0.2894582800180.895132707874-0.193675153430.9334381823453.8895462488-29.429874729320.2338779249
600.7429257254710.0954418480845-0.420927204470.1746301192010.05863258709610.146876157286-0.2696957115980.784430120653-0.480396915598-0.5040118280830.849047231161-0.3527856319060.301707441391.320191953970.02913098858850.92251960797-0.133481306323-0.1931131887951.11545012185-0.3012009563450.70769267939256.0152066667-21.214912723510.4680987863
610.450394032502-0.2546059549810.2681384313990.4654014030490.0007446030731590.3459952726650.435865270211-0.08260569010510.0670883254163-0.0656098706601-0.1607836230780.491241342940.378274100940.407844045185-0.001085434583020.629443875634-0.0812278671844-0.04932413990980.64866526724-0.1372589068610.61401246265545.6527407661-18.492384344917.5964705034
620.3756792560970.4445844813730.04022695654220.4262790019530.1132456036070.27735172468-0.4344319020080.2535441915051.006484586410.962206930928-0.6238009998550.3369872766480.189803823042-0.7049341320230.005211042435520.804394182925-0.04942525843750.08118267102361.0745775706-0.2222234521930.80556276166638.2845813328-20.183566019128.7011826233
630.727878446644-0.643624668751-0.05862768988670.7861448587030.4591863869170.3983452261220.533873919361.0349140941-0.24198041246-0.957438533978-0.9547584511220.292388745546-0.320601575705-0.356251239745-0.01128364794350.565789556472-0.160382169774-0.01500410585520.758833804859-0.1093517294430.70493901589139.4197379413-26.08137219516.7532831844
640.2401113167850.150363718445-0.6025356682270.565774093298-0.293761613641.380675863671.41194733752-0.437293267618-0.4395732887171.34557729187-1.44973529719-0.07663531882650.09252892353890.846463734692-0.04464906890161.09854431439-0.264048249609-0.1255305814720.7806249946720.0176393556280.58978605966340.3193538826-29.521159710925.6244900547
650.691622590640.213256990250.113151195970.215227082940.4220021187250.483245925756-0.3671241344570.809614704786-0.3507628067-0.1823781947550.130065798385-0.569200551644-0.0497326114146-0.0429842465839-0.0001351563089850.692153986313-0.1019356223370.08117177225830.647978559907-0.01632871065861.017496320015.05250746808-59.037326316-13.4946563543
660.5724184597530.08400154232490.09049666260720.01127455019080.1520375830880.9464661643290.03208149512090.739318748677-0.634618351214-0.00950376626278-0.3313704454710.0850671801160.550200370914-0.734569014439-0.002399679361980.758755729587-0.09155696562750.07496565469960.636859711955-0.1591768551270.80906621834-1.04329673356-63.0635796328-17.2570822716
670.5038659417110.608033977040.4010950431510.5088754302850.1979209463170.813107582799-0.183888355220.01784327009540.7031684413690.789757926212-0.146952860365-0.0855841885829-0.343749917209-0.06145081444410.0002651037509120.620970954523-0.0703507296022-0.0001712342701410.5547213804860.06945411657410.857857577115-2.43320196565-49.619184472-4.63256144844
680.04011497145970.1015375213450.02076433780540.1437447090950.06122440597640.388307479548-0.008296670878260.272519298238-0.0919822977194-0.990675759885-0.03972623905960.480172323989-0.112348489139-0.6217807509180.001729921891810.564360638541-0.1137667401350.01456458965030.587747613376-0.02591790454390.703217607454-10.355692219-57.4864786001-7.14908322735
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'D' and (resid 95 through 110 )DK95 - 11086 - 101
22chain 'F' and (resid 4 through 31 )FL4 - 311 - 28
33chain 'F' and (resid 32 through 38 )FL32 - 3829 - 35
44chain 'F' and (resid 39 through 51 )FL39 - 5136 - 40
55chain 'F' and (resid 52 through 81 )FL52 - 8141 - 70
66chain 'F' and (resid 82 through 107 )FL82 - 10771 - 96
77chain 'C' and (resid 3 through 25 )CA3 - 251 - 23
88chain 'C' and (resid 26 through 39 )CA26 - 3924 - 37
99chain 'C' and (resid 40 through 51 )CA40 - 5138 - 43
1010chain 'C' and (resid 52 through 59 )CA52 - 5944 - 51
1111chain 'C' and (resid 60 through 70 )CA60 - 7052 - 62
1212chain 'C' and (resid 71 through 94 )CA71 - 9463 - 86
1313chain 'C' and (resid 95 through 111 )CA95 - 11187 - 103
1414chain 'A' and (resid 4 through 31 )AB4 - 311 - 28
1515chain 'A' and (resid 32 through 59 )AB32 - 5929 - 49
1616chain 'A' and (resid 60 through 70 )AB60 - 7050 - 60
1717chain 'A' and (resid 71 through 91 )AB71 - 9161 - 81
1818chain 'A' and (resid 92 through 105 )AB92 - 10582 - 95
1919chain 'J' and (resid 3 through 15 )JC3 - 151 - 13
2020chain 'J' and (resid 16 through 51 )JC16 - 5114 - 44
2121chain 'J' and (resid 52 through 69 )JC52 - 6945 - 62
2222chain 'J' and (resid 70 through 81 )JC70 - 8163 - 74
2323chain 'J' and (resid 82 through 108 )JC82 - 10875 - 101
2424chain 'I' and (resid 4 through 15 )ID4 - 151 - 12
2525chain 'I' and (resid 16 through 31 )ID16 - 3113 - 28
2626chain 'I' and (resid 32 through 51 )ID32 - 5129 - 44
2727chain 'I' and (resid 52 through 69 )ID52 - 6945 - 62
2828chain 'I' and (resid 70 through 81 )ID70 - 8163 - 74
2929chain 'I' and (resid 82 through 109 )ID82 - 10975 - 102
3030chain 'B' and (resid 4 through 15 )BE4 - 151 - 12
3131chain 'B' and (resid 16 through 39 )BE16 - 3913 - 36
3232chain 'B' and (resid 40 through 51 )BE40 - 5137 - 43
3333chain 'B' and (resid 52 through 60 )BE52 - 6044 - 52
3434chain 'B' and (resid 61 through 70 )BE61 - 7053 - 62
3535chain 'B' and (resid 71 through 81 )BE71 - 8163 - 73
3636chain 'B' and (resid 82 through 111 )BE82 - 11174 - 103
3737chain 'E' and (resid 5 through 20 )EF5 - 201 - 16
3838chain 'E' and (resid 21 through 59 )EF21 - 5917 - 53
3939chain 'E' and (resid 60 through 108 )EF60 - 10854 - 102
4040chain 'G' and (resid 4 through 70 )GG4 - 701 - 61
4141chain 'G' and (resid 71 through 81 )GG71 - 8162 - 72
4242chain 'G' and (resid 82 through 107 )GG82 - 10773 - 98
4343chain 'H' and (resid 4 through 39 )HH4 - 391 - 36
4444chain 'H' and (resid 40 through 50 )HH40 - 5037 - 43
4545chain 'H' and (resid 51 through 70 )HH51 - 7044 - 63
4646chain 'H' and (resid 71 through 92 )HH71 - 9264 - 85
4747chain 'H' and (resid 93 through 107 )HH93 - 10786 - 100
4848chain 'K' and (resid 5 through 15 )KI5 - 151 - 11
4949chain 'K' and (resid 16 through 39 )KI16 - 3912 - 35
5050chain 'K' and (resid 40 through 51 )KI40 - 5136 - 42
5151chain 'K' and (resid 52 through 59 )KI52 - 5943 - 50
5252chain 'K' and (resid 60 through 70 )KI60 - 7051 - 61
5353chain 'K' and (resid 71 through 81 )KI71 - 8162 - 70
5454chain 'K' and (resid 82 through 91 )KI82 - 9171 - 80
5555chain 'K' and (resid 92 through 102 )KI92 - 10281 - 91
5656chain 'K' and (resid 103 through 107 )KI103 - 10792 - 96
5757chain 'L' and (resid 5 through 13 )LJ5 - 131 - 9
5858chain 'L' and (resid 14 through 25 )LJ14 - 2510 - 21
5959chain 'L' and (resid 26 through 31 )LJ26 - 3122 - 27
6060chain 'L' and (resid 32 through 51 )LJ32 - 5128 - 42
6161chain 'L' and (resid 52 through 69 )LJ52 - 6943 - 60
6262chain 'L' and (resid 70 through 81 )LJ70 - 8161 - 72
6363chain 'L' and (resid 82 through 93 )LJ82 - 9373 - 84
6464chain 'L' and (resid 94 through 104 )LJ94 - 10485 - 95
6565chain 'D' and (resid 3 through 31 )DK3 - 311 - 29
6666chain 'D' and (resid 32 through 59 )DK32 - 5930 - 50
6767chain 'D' and (resid 60 through 81 )DK60 - 8151 - 72
6868chain 'D' and (resid 82 through 94 )DK82 - 9473 - 85

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