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- PDB-8ym4: Structure of Caspase-8/cFLIP death effector domain assembly -

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Basic information

Entry
Database: PDB / ID: 8ym4
TitleStructure of Caspase-8/cFLIP death effector domain assembly
Components
  • CASP8 and FADD-like apoptosis regulator subunit p43
  • Caspase-8
KeywordsAPOPTOSIS / FADD / Caspase-8 / cFLIP / death effector domain
Function / homology
Function and homology information


negative regulation of myoblast fusion / skeletal myofibril assembly / caspase-8 / death effector domain binding / FasL/ CD95L signaling / syncytiotrophoblast cell differentiation involved in labyrinthine layer development / skeletal muscle atrophy / TRAIL signaling / CD95 death-inducing signaling complex / regulation of skeletal muscle satellite cell proliferation ...negative regulation of myoblast fusion / skeletal myofibril assembly / caspase-8 / death effector domain binding / FasL/ CD95L signaling / syncytiotrophoblast cell differentiation involved in labyrinthine layer development / skeletal muscle atrophy / TRAIL signaling / CD95 death-inducing signaling complex / regulation of skeletal muscle satellite cell proliferation / ripoptosome / Defective RIPK1-mediated regulated necrosis / Apoptotic execution phase / TRAIL-activated apoptotic signaling pathway / Activation, myristolyation of BID and translocation to mitochondria / TRIF-mediated programmed cell death / Microbial modulation of RIPK1-mediated regulated necrosis / Regulation by c-FLIP / CASP8 activity is inhibited / Dimerization of procaspase-8 / TLR3-mediated TICAM1-dependent programmed cell death / regulation of necroptotic process / Caspase activation via Death Receptors in the presence of ligand / positive regulation of extracellular matrix organization / positive regulation of macrophage differentiation / self proteolysis / positive regulation of glomerular mesangial cell proliferation / response to cobalt ion / NF-kB activation through FADD/RIP-1 pathway mediated by caspase-8 and -10 / death-inducing signaling complex / skeletal muscle tissue regeneration / CLEC7A/inflammasome pathway / negative regulation of necroptotic process / response to anesthetic / negative regulation of hepatocyte apoptotic process / regulation of tumor necrosis factor-mediated signaling pathway / tumor necrosis factor receptor binding / death receptor binding / positive regulation of hepatocyte proliferation / natural killer cell activation / negative regulation of cellular response to transforming growth factor beta stimulus / TNFR1-induced proapoptotic signaling / RIPK1-mediated regulated necrosis / negative regulation of cardiac muscle cell apoptotic process / execution phase of apoptosis / regulation of innate immune response / Apoptotic cleavage of cellular proteins / pyroptotic inflammatory response / response to testosterone / : / B cell activation / positive regulation of proteolysis / macrophage differentiation / response to tumor necrosis factor / extrinsic apoptotic signaling pathway via death domain receptors / Caspase-mediated cleavage of cytoskeletal proteins / negative regulation of extrinsic apoptotic signaling pathway via death domain receptors / skeletal muscle tissue development / negative regulation of reactive oxygen species biosynthetic process / extrinsic apoptotic signaling pathway / negative regulation of canonical NF-kappaB signal transduction / cellular response to nitric oxide / cysteine-type peptidase activity / cellular response to epidermal growth factor stimulus / cellular response to dexamethasone stimulus / regulation of cytokine production / protein maturation / proteolysis involved in protein catabolic process / T cell activation / enzyme activator activity / positive regulation of interleukin-1 beta production / negative regulation of extrinsic apoptotic signaling pathway / Regulation of NF-kappa B signaling / apoptotic signaling pathway / cellular response to estradiol stimulus / Regulation of TNFR1 signaling / wound healing / NOD1/2 Signaling Pathway / protein processing / positive regulation of neuron projection development / Regulation of necroptotic cell death / cellular response to insulin stimulus / cellular response to mechanical stimulus / positive regulation of NF-kappaB transcription factor activity / positive regulation of neuron apoptotic process / response to estradiol / lamellipodium / peptidase activity / heart development / cell body / protease binding / scaffold protein binding / angiogenesis / cellular response to hypoxia / response to lipopolysaccharide / response to ethanol / mitochondrial outer membrane / positive regulation of canonical NF-kappaB signal transduction / cytoskeleton / positive regulation of ERK1 and ERK2 cascade
Similarity search - Function
Caspase-8 / Death effector domain / Death effector domain (DED) profile. / Death effector domain / Death effector domain / Peptidase family C14A, His active site / Caspase family histidine active site. / Peptidase C14, caspase non-catalytic subunit p10 / Peptidase family C14A, cysteine active site / Caspase family cysteine active site. ...Caspase-8 / Death effector domain / Death effector domain (DED) profile. / Death effector domain / Death effector domain / Peptidase family C14A, His active site / Caspase family histidine active site. / Peptidase C14, caspase non-catalytic subunit p10 / Peptidase family C14A, cysteine active site / Caspase family cysteine active site. / Caspase family p10 domain profile. / Peptidase C14A, caspase catalytic domain / Caspase, interleukin-1 beta converting enzyme (ICE) homologues / Peptidase C14, p20 domain / Caspase family p20 domain profile. / : / Caspase domain / Caspase-like domain superfamily / Death-like domain superfamily
Similarity search - Domain/homology
SELENIUM ATOM / CASP8 and FADD-like apoptosis regulator / Caspase-8
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.34 Å
AuthorsLin, S.-C. / Yang, C.-Y.
Funding support Taiwan, 1items
OrganizationGrant numberCountry
Other government Taiwan
CitationJournal: Nat Commun / Year: 2024
Title: Reverse hierarchical DED assembly in the cFLIP-procaspase-8 and cFLIP-procaspase-8-FADD complexes.
Authors: Chao-Yu Yang / Yi-Chun Tseng / Yi-Fan Tu / Bai-Jiun Kuo / Li-Chung Hsu / Chia-I Lien / You-Sheng Lin / Yin-Ting Wang / Yen-Chen Lu / Tsung-Wei Su / Yu-Chih Lo / Su-Chang Lin /
Abstract: cFLIP, a master anti-apoptotic regulator, targets the FADD-induced DED complexes of procaspase-8 in death receptor and ripoptosome signaling pathways. Several tumor cells maintain relatively high ...cFLIP, a master anti-apoptotic regulator, targets the FADD-induced DED complexes of procaspase-8 in death receptor and ripoptosome signaling pathways. Several tumor cells maintain relatively high levels of cFLIP in achieving their immortality. However, understanding the three-dimensional regulatory mechanism initiated or mediated by elevated levels of cFLIP has been limited by the absence of the atomic coordinates for cFLIP-induced DED complexes. Here we report the crystal plus cryo-EM structures to uncover an unconventional mechanism where cFLIP and procaspase-8 autonomously form a binary tandem DED complex, independent of FADD. This complex gains the ability to recruit FADD, thereby allosterically modulating cFLIP assembly and partially activating caspase-8 for RIPK1 cleavage. Our structure-guided mutagenesis experiments provide critical insights into these regulatory mechanisms, elucidating the resistance to apoptosis and necroptosis in achieving immortality. Finally, this research offers a unified model for the intricate bidirectional hierarchy-based processes using multiprotein helical assembly to govern cell fate decisions.
History
DepositionMar 8, 2024Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Oct 30, 2024Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
C: Caspase-8
B: Caspase-8
D: Caspase-8
H: CASP8 and FADD-like apoptosis regulator subunit p43
G: CASP8 and FADD-like apoptosis regulator subunit p43
F: CASP8 and FADD-like apoptosis regulator subunit p43
K: CASP8 and FADD-like apoptosis regulator subunit p43
I: CASP8 and FADD-like apoptosis regulator subunit p43
J: CASP8 and FADD-like apoptosis regulator subunit p43
A: Caspase-8
hetero molecules


Theoretical massNumber of molelcules
Total (without water)217,60411
Polymers217,52510
Non-polymers791
Water91951
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: gel filtration, light scattering
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)82.266, 167.448, 179.490
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 2 through 4 or resid 6...
d_2ens_1(chain "B" and (resid 2 through 4 or resid 6...
d_3ens_1(chain "C" and (resid 2 through 4 or resid 6...
d_4ens_1(chain "D" and (resid 2 through 4 or resid 6...
d_1ens_2(chain "F" and (resid 2 through 10 or resid 12...
d_2ens_2(chain "G" and (resid 2 through 10 or resid 12...
d_3ens_2(chain "H" and (resid 2 through 10 or resid 12...
d_4ens_2(chain "I" and (resid 2 through 10 or resid 12...
d_5ens_2(chain "J" and (resid 2 through 10 or resid 12...

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_1ASPASPSERSERAJ2 - 42 - 4
d_12ens_1ASNASNTHRTHRAJ6 - 816 - 81
d_13ens_1LYSLYSLYSLYSAJ8383
d_14ens_1GLUGLUGLUGLUAJ85 - 8785 - 87
d_15ens_1GLUGLUALAALAAJ89 - 9689 - 96
d_16ens_1ILEILESERSERAJ98 - 11398 - 113
d_17ens_1SERSERLEULEUAJ115 - 117115 - 117
d_18ens_1SERSERLEULEUAJ119 - 124119 - 124
d_19ens_1GLUGLUGLUGLUAJ127127
d_110ens_1LEULEULEULEUAJ133133
d_111ens_1ASPASPLYSLYSAJ136 - 161136 - 161
d_112ens_1VALVALALAALAAJ163 - 165163 - 165
d_113ens_1ILEILEASNASNAJ167 - 168167 - 168
d_114ens_1SERSERSERSERAJ170 - 182170 - 182
d_21ens_1ASPASPSERSERBB2 - 42 - 4
d_22ens_1ASNASNTHRTHRBB6 - 816 - 81
d_23ens_1LYSLYSLYSLYSBB8383
d_24ens_1GLUGLUGLUGLUBB85 - 8785 - 87
d_25ens_1GLUGLUALAALABB89 - 9689 - 96
d_26ens_1ILEILESERSERBB98 - 11398 - 113
d_27ens_1SERSERLEULEUBB115 - 117115 - 117
d_28ens_1SERSERLEULEUBB119 - 124119 - 124
d_29ens_1GLUGLUGLUGLUBB127127
d_210ens_1LEULEULEULEUBB133133
d_211ens_1ASPASPLYSLYSBB136 - 161136 - 161
d_212ens_1VALVALALAALABB163 - 165163 - 165
d_213ens_1ILEILEASNASNBB167 - 168167 - 168
d_214ens_1SERSERSERSERBB170 - 182170 - 182
d_31ens_1ASPASPSERSERCA2 - 42 - 4
d_32ens_1ASNASNTHRTHRCA6 - 816 - 81
d_33ens_1LYSLYSLYSLYSCA8383
d_34ens_1GLUGLUGLUGLUCA85 - 8785 - 87
d_35ens_1GLUGLUALAALACA89 - 9689 - 96
d_36ens_1ILEILESERSERCA98 - 11398 - 113
d_37ens_1SERSERLEULEUCA115 - 117115 - 117
d_38ens_1SERSERLEULEUCA119 - 124119 - 124
d_39ens_1GLUGLUGLUGLUCA127127
d_310ens_1LEULEULEULEUCA133133
d_311ens_1ASPASPLYSLYSCA136 - 161136 - 161
d_312ens_1VALVALALAALACA163 - 165163 - 165
d_313ens_1ILEILEASNASNCA167 - 168167 - 168
d_314ens_1SERSERSERSERCA170 - 182170 - 182
d_41ens_1ASPASPSERSERDC2 - 42 - 4
d_42ens_1ASNASNTHRTHRDC6 - 816 - 81
d_43ens_1LYSLYSLYSLYSDC8383
d_44ens_1GLUGLUGLUGLUDC85 - 8785 - 87
d_45ens_1GLUGLUALAALADC89 - 9689 - 96
d_46ens_1ILEILESERSERDC98 - 11398 - 113
d_47ens_1SERSERLEULEUDC115 - 117115 - 117
d_48ens_1SERSERLEULEUDC119 - 124119 - 124
d_49ens_1GLUGLUGLUGLUDC127127
d_410ens_1LEULEULEULEUDC133133
d_411ens_1ASPASPLYSLYSDC136 - 161136 - 161
d_412ens_1VALVALALAALADC163 - 165163 - 165
d_413ens_1ILEILEASNASNDC167 - 168167 - 168
d_414ens_1SERSERSERSERDC170 - 182170 - 182
d_11ens_2SERSERGLUGLUFF2 - 105 - 13
d_12ens_2ALAALALYSLYSFF12 - 1815 - 21
d_13ens_2MSEMSEVALVALFF20 - 2823 - 31
d_14ens_2VALVALVALVALFF33 - 3736 - 40
d_15ens_2ASPASPLEULEUFF39 - 4442 - 47
d_16ens_2GLUGLULEULEUFF46 - 7249 - 75
d_17ens_2MSEMSEARGARGFF74 - 7677 - 79
d_18ens_2ALAALALEULEUFF78 - 8481 - 87
d_19ens_2ASNASNALAALAFF86 - 9889 - 101
d_110ens_2ILEILEGLYGLYFF100 - 101103 - 104
d_111ens_2ASPASPASPASPFF103 - 105106 - 108
d_112ens_2SERSERMSEMSEFF107 - 116110 - 119
d_113ens_2ASPASPMSEMSEFF118 - 120121 - 123
d_114ens_2SERSERVALVALFF130 - 136133 - 139
d_115ens_2LEULEUGLUGLUFF138 - 153141 - 156
d_116ens_2CYSCYSGLNGLNFF155 - 169158 - 172
d_117ens_2TYRTYRLYSLYSFF171 - 172174 - 175
d_118ens_2SERSERVALVALFF174 - 175177 - 178
d_21ens_2SERSERGLUGLUGE2 - 105 - 13
d_22ens_2ALAALALYSLYSGE12 - 1815 - 21
d_23ens_2MSEMSEVALVALGE20 - 2823 - 31
d_24ens_2VALVALVALVALGE33 - 3736 - 40
d_25ens_2ASPASPLEULEUGE39 - 4442 - 47
d_26ens_2GLUGLULEULEUGE46 - 7249 - 75
d_27ens_2MSEMSEARGARGGE74 - 7677 - 79
d_28ens_2ALAALALEULEUGE78 - 8481 - 87
d_29ens_2ASNASNALAALAGE86 - 9889 - 101
d_210ens_2ILEILEGLYGLYGE100 - 101103 - 104
d_211ens_2ASPASPASPASPGE103 - 105106 - 108
d_212ens_2SERSERMSEMSEGE107 - 116110 - 119
d_213ens_2ASPASPMSEMSEGE118 - 120121 - 123
d_214ens_2SERSERVALVALGE130 - 136133 - 139
d_215ens_2LEULEUGLUGLUGE138 - 153141 - 156
d_216ens_2CYSCYSGLNGLNGE155 - 169158 - 172
d_217ens_2TYRTYRLYSLYSGE171 - 172174 - 175
d_218ens_2SERSERVALVALGE174 - 175177 - 178
d_31ens_2SERSERGLUGLUHD2 - 105 - 13
d_32ens_2ALAALALYSLYSHD12 - 1815 - 21
d_33ens_2MSEMSEVALVALHD20 - 2823 - 31
d_34ens_2VALVALVALVALHD33 - 3736 - 40
d_35ens_2ASPASPLEULEUHD39 - 4442 - 47
d_36ens_2GLUGLULEULEUHD46 - 7249 - 75
d_37ens_2MSEMSEARGARGHD74 - 7677 - 79
d_38ens_2ALAALALEULEUHD78 - 8481 - 87
d_39ens_2ASNASNALAALAHD86 - 9889 - 101
d_310ens_2ILEILEGLYGLYHD100 - 101103 - 104
d_311ens_2ASPASPASPASPHD103 - 105106 - 108
d_312ens_2SERSERMSEMSEHD107 - 116110 - 119
d_313ens_2ASPASPMSEMSEHD118 - 120121 - 123
d_314ens_2SERSERVALVALHD130 - 136133 - 139
d_315ens_2LEULEUGLUGLUHD138 - 153141 - 156
d_316ens_2CYSCYSGLNGLNHD155 - 169158 - 172
d_317ens_2TYRTYRLYSLYSHD171 - 172174 - 175
d_318ens_2SERSERVALVALHD174 - 175177 - 178
d_41ens_2SERSERGLUGLUIH2 - 105 - 13
d_42ens_2ALAALALYSLYSIH12 - 1815 - 21
d_43ens_2MSEMSEVALVALIH20 - 2823 - 31
d_44ens_2VALVALVALVALIH33 - 3736 - 40
d_45ens_2ASPASPLEULEUIH39 - 4442 - 47
d_46ens_2GLUGLULEULEUIH46 - 7249 - 75
d_47ens_2MSEMSEARGARGIH74 - 7677 - 79
d_48ens_2ALAALALEULEUIH78 - 8481 - 87
d_49ens_2ASNASNALAALAIH86 - 9889 - 101
d_410ens_2ILEILEGLYGLYIH100 - 101103 - 104
d_411ens_2ASPASPASPASPIH103 - 105106 - 108
d_412ens_2SERSERMSEMSEIH107 - 116110 - 119
d_413ens_2ASPASPMSEMSEIH118 - 120121 - 123
d_414ens_2SERSERVALVALIH130 - 136133 - 139
d_415ens_2LEULEUGLUGLUIH138 - 153141 - 156
d_416ens_2CYSCYSGLNGLNIH155 - 169158 - 172
d_417ens_2TYRTYRLYSLYSIH171 - 172174 - 175
d_418ens_2SERSERVALVALIH174 - 175177 - 178
d_51ens_2SERSERGLUGLUJI2 - 105 - 13
d_52ens_2ALAALALYSLYSJI12 - 1815 - 21
d_53ens_2MSEMSEVALVALJI20 - 2823 - 31
d_54ens_2VALVALVALVALJI33 - 3736 - 40
d_55ens_2ASPASPLEULEUJI39 - 4442 - 47
d_56ens_2GLUGLULEULEUJI46 - 7249 - 75
d_57ens_2MSEMSEARGARGJI74 - 7677 - 79
d_58ens_2ALAALALEULEUJI78 - 8481 - 87
d_59ens_2ASNASNALAALAJI86 - 9889 - 101
d_510ens_2ILEILEGLYGLYJI100 - 101103 - 104
d_511ens_2ASPASPASPASPJI103 - 105106 - 108
d_512ens_2SERSERMSEMSEJI107 - 116110 - 119
d_513ens_2ASPASPMSEMSEJI118 - 120121 - 123
d_514ens_2SERSERVALVALJI130 - 136133 - 139
d_515ens_2LEULEUGLUGLUJI138 - 153141 - 156
d_516ens_2CYSCYSGLNGLNJI155 - 169158 - 172
d_517ens_2TYRTYRLYSLYSJI171 - 172174 - 175
d_518ens_2SERSERVALVALJI174 - 175177 - 178

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(0.297224349727, 0.949168570785, -0.103618097666), (-0.945999947946, 0.307449700535, 0.102755925025), (0.129390047593, 0.067481152002, 0.989294955869)-131.684149855, 113.861122183, 1.66087517656
2given(-0.797678789651, 0.600202550804, -0.0588680435385), (-0.59114245822, -0.75882478512, 0.273378015901), (0.119411651989, 0.252867244809, 0.960103647463)-67.5284642935, 265.374585957, -12.680137953
3given(-0.836647545273, -0.529489874343, 0.140218964324), (0.546261290771, -0.787775078158, 0.284620850321), (-0.0402428526921, 0.314723528197, 0.948329907578)95.5972649437, 257.772822467, -6.82560358174
4given(0.267244914575, 0.963506743629, -0.0153267940327), (-0.956766685663, 0.267203057781, 0.114891405757), (0.114794010464, -0.0160399779885, 0.993259812067)-136.101233243, 116.967907542, 14.3348979407
5given(-0.820124020261, 0.571642422589, 0.0249305452607), (-0.560989956515, -0.811890208578, 0.161630931152), (0.112635962641, 0.118571623553, 0.98653631966)-67.6914247316, 275.494054735, 8.31535258376
6given(-0.0411151114303, -0.996801852678, 0.0685245511414), (0.996301323147, -0.0357220075549, 0.0781512103045), (-0.0754534366871, 0.0714842966903, 0.99458371906)159.782420183, 147.909737554, 16.7390693618
7given(0.922934148933, -0.383981772436, 0.027396261958), (0.382132345495, 0.922443700528, 0.0554300449521), (-0.0465556361681, -0.0406892835234, 0.998086647014)60.2117586442, 10.9294735912, 47.068659998

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Components

#1: Protein
Caspase-8 / CASP-8 / Apoptotic cysteine protease / Apoptotic protease Mch-5 / CAP4 / FADD-homologous ICE/ced-3- ...CASP-8 / Apoptotic cysteine protease / Apoptotic protease Mch-5 / CAP4 / FADD-homologous ICE/ced-3-like protease / FADD-like ICE / FLICE / ICE-like apoptotic protease 5 / MORT1-associated ced-3 homolog / MACH


Mass: 22339.715 Da / Num. of mol.: 4 / Mutation: F122G, L123G
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CASP8, MCH5 / Production host: Escherichia coli (E. coli) / References: UniProt: Q14790, caspase-8
#2: Protein
CASP8 and FADD-like apoptosis regulator subunit p43 / cFLIP


Mass: 21361.031 Da / Num. of mol.: 6 / Mutation: H7G
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CFLAR, CASH, CASP8AP1, CLARP, MRIT / Production host: Escherichia coli (E. coli) / References: UniProt: O15519
#3: Chemical ChemComp-SE / SELENIUM ATOM


Mass: 78.960 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Se / Feature type: SUBJECT OF INVESTIGATION
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 51 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY
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: 2.83 Å3/Da / Density % sol: 56.61 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, hanging drop
Details: 0.1 M MES pH 6.5, 0.08 M sodium chloride, 0.2 M Potassium Thiocyanate, 10 % PEG 4000, 0.01 M TCEP

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: NSRRC / Beamline: BL13B1 / Wavelength: 0.97942 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Apr 3, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97942 Å / Relative weight: 1
ReflectionResolution: 2.34→30 Å / Num. obs: 102320 / % possible obs: 97.9 % / Redundancy: 7.6 % / Biso Wilson estimate: 35.59 Å2 / Rmerge(I) obs: 0.094 / Net I/σ(I): 22.935
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2CC starRpim(I) allRrim(I) allΧ2% possible all
2.34-2.426.80.35890960.8870.970.1470.3891.08388
2.42-2.527.10.36196030.9170.9780.1450.3911.14493.1
2.52-2.647.50.322102060.9450.9860.1280.3481.31898.4
2.64-2.7780.287103330.9670.9920.1110.3081.379100
2.77-2.958.10.197104090.9860.9970.0750.2111.569100
2.95-3.1880.141103670.9930.9980.0530.1511.45799.9
3.18-3.497.90.093104290.9960.9990.0350.0991.527100
3.49-47.80.069104620.9970.9990.0260.0741.67999.9
4-5.037.40.063105550.9970.9990.0250.0682.17499.7
5.03-307.10.061108600.99810.0240.0656.30399.4

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
HKL-2000data scaling
HKL-2000data reduction
AutoSolphasing
RefinementMethod to determine structure: SAD / Resolution: 2.34→29.84 Å / SU ML: 0.3065 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.7255
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2525 5078 4.97 %
Rwork0.2056 97136 -
obs0.2079 102214 97.73 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 50.24 Å2
Refinement stepCycle: LAST / Resolution: 2.34→29.84 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms14515 0 1 51 14567
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.005214660
X-RAY DIFFRACTIONf_angle_d0.707119625
X-RAY DIFFRACTIONf_chiral_restr0.04252275
X-RAY DIFFRACTIONf_plane_restr0.00572497
X-RAY DIFFRACTIONf_dihedral_angle_d12.58435889
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2JAX-RAY DIFFRACTIONTorsion NCS0.695680935389
ens_1d_3JAX-RAY DIFFRACTIONTorsion NCS0.627431882538
ens_1d_4JAX-RAY DIFFRACTIONTorsion NCS0.782926668295
ens_2d_2FFX-RAY DIFFRACTIONTorsion NCS0.769646270061
ens_2d_3FFX-RAY DIFFRACTIONTorsion NCS0.918943846628
ens_2d_4FFX-RAY DIFFRACTIONTorsion NCS0.962889956458
ens_2d_5FFX-RAY DIFFRACTIONTorsion NCS1.05246734813
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.34-2.370.32561300.27652780X-RAY DIFFRACTION84.08
2.37-2.40.29911300.26022888X-RAY DIFFRACTION87.81
2.4-2.430.33661610.25672939X-RAY DIFFRACTION89.62
2.43-2.460.33011650.26472924X-RAY DIFFRACTION90.72
2.46-2.490.32641630.25153083X-RAY DIFFRACTION92.93
2.49-2.530.33521760.25833065X-RAY DIFFRACTION95.24
2.53-2.560.29931640.25373211X-RAY DIFFRACTION97.15
2.56-2.60.30241650.25073203X-RAY DIFFRACTION98.05
2.6-2.640.29292030.25023272X-RAY DIFFRACTION99.83
2.64-2.680.31451660.24083244X-RAY DIFFRACTION99.91
2.68-2.730.28881570.23883308X-RAY DIFFRACTION99.94
2.73-2.780.30361700.22933287X-RAY DIFFRACTION99.94
2.78-2.830.291560.22143319X-RAY DIFFRACTION99.94
2.83-2.890.26431590.2273268X-RAY DIFFRACTION99.94
2.89-2.950.28451750.23513325X-RAY DIFFRACTION99.97
2.95-3.020.31222060.25683222X-RAY DIFFRACTION99.97
3.02-3.10.31031820.24293276X-RAY DIFFRACTION99.91
3.1-3.180.28841810.23213315X-RAY DIFFRACTION99.97
3.18-3.270.27651840.22223297X-RAY DIFFRACTION99.97
3.27-3.380.24631750.21233277X-RAY DIFFRACTION99.94
3.38-3.50.27121690.21923321X-RAY DIFFRACTION99.97
3.5-3.640.27581870.20673312X-RAY DIFFRACTION99.97
3.64-3.810.20291810.18553325X-RAY DIFFRACTION99.94
3.81-4.010.21831930.16773276X-RAY DIFFRACTION99.88
4.01-4.260.18991300.16333378X-RAY DIFFRACTION99.83
4.26-4.580.20431750.16113348X-RAY DIFFRACTION99.69
4.58-5.040.22021550.16863363X-RAY DIFFRACTION99.43
5.04-5.770.24671580.19833392X-RAY DIFFRACTION99.64
5.77-7.250.25531760.22733377X-RAY DIFFRACTION98.97
7.25-29.840.19111860.16823541X-RAY DIFFRACTION99.33
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)
1-0.0106952710843-0.01881879552440.005406423379640.0680755007763-0.02501647737820.02093955793920.126207343993-0.190805438270.001990445816190.0109864808585-0.0315470751428-0.03457746157510.00587601115198-0.299887419506-2.02365910538E-70.1439643854830.0101762397423-0.009093554791760.1012149039340.0002953101672480.181382336037.12489751722134.6169340882.0614232342
20.01054539715250.1098093974650.03858315508580.0228871734913-0.0710092491977-0.005477879993280.05110399788650.0497300517137-0.0307874213604-0.01919808981230.00117297271495-0.02565150530540.04171546406940.0972830128367.53219918072E-80.125788388236-0.000534841092387-0.000689285720870.1136835270060.005733295771820.11279838994415.5127794006132.06486295776.8081897472
30.0249024816045-0.01905763717660.05532789243090.08473352421570.0129705569388-0.006012821215250.0125151552439-0.1888338963-0.0510118716913-0.0004078677988940.1109230971320.01486834130620.0445902962038-0.0160267595963-1.59781651982E-80.151148066512-0.00487724497443-0.01185784020850.2396345032770.03066131213850.1724035118913.7429797635123.89316386789.9824913638
40.0258702848769-0.02372423637830.09683081376180.0471070602734-0.008348472359580.05756836452680.114597825888-0.145150772333-0.00936279585399-0.00539470983925-0.1628620501340.0412744912394-0.077080932799-0.03370245499826.67693258048E-90.176280631375-0.0204914770489-0.0005409489539080.0957147591808-0.04224871884530.1380287054327.4767650012146.43561316490.326698308
50.06834434987980.02051213674380.01750834967490.0219307919706-0.0125075765850.02797119232810.04146756787930.0361053241411-0.220290199380.185374241319-0.0768065400945-0.228119229458-0.01181405177270.1750280824924.51606544985E-80.185156735576-0.00326571136331-0.03623320367510.236462778794-0.02744625004050.19863675324433.7755795979135.4284989795.9450948807
60.008455672173880.01453340151610.002355349685170.00582282715663-0.003889872680490.01174740526240.1084093915190.0685085727145-0.09952191258170.0898230056162-0.056809366195-0.06624163921010.0593009838011-0.0105655517158-3.23714307451E-60.14822770140.008439139199590.006990264499130.136156260496-0.01099380300620.15964829045732.3166813402135.78235271564.2838188042
70.0125258609343-0.003353040445050.0219383052886-0.000325429613921-0.008501592052340.007094215061370.0176561790342-0.0928376979059-0.04848140831440.127151525771-0.0305041620157-0.01496710865450.100105602587-0.0334979849011-7.04621814489E-70.10519476833-0.0256324473670.0228369252450.143270064210.04244451292630.20410578462829.6756901034152.00530937869.7089138298
80.07865687570940.0396615744896-0.003769922001920.108604838683-0.0138096337880.03989830236940.01430205077570.25586092496-0.01767488611840.0571343863314-0.0727849232660.0518269290653-0.07581878640870.1587353470062.15797612373E-80.135002591468-0.0094193983440.001314015077710.1884593141870.02348336273240.18121840119935.7653532981147.95915205763.1616492457
90.003071778124020.000266440466104-0.001027480005570.00756637246969-0.00114039657193-0.006892204418820.08772140496520.0390833597399-0.1257910872490.05818991672070.0177465725562-0.0798745422-0.004825436742010.09561277235622.84098831366E-60.215582785637-0.0155777480056-0.02082664330470.4113540868520.01274890286880.27820876753448.6301943985144.09318591174.5735287207
100.06008559808460.009087972308510.09538180512260.0649288753744-0.06197403395490.0702974305028-0.09259221941550.1622738530370.07721520068130.194198643599-0.00549550352879-0.0467314632912-0.1439731159560.1234759683926.63755269797E-80.224875812529-0.00265711985429-0.01915132379360.185282078383-0.03793468881340.26672338979831.7493376463164.66188198174.6369178432
11-0.00189196431992-0.0184684466154-0.02419512560480.05183525399290.06573775050370.0155067002145-0.07081709162540.07192139185030.09873221548980.3549564535280.267204955101-0.146653643445-0.2448663150390.00194839462155-1.27812225012E-80.389952138052-0.0844212406135-0.1347292055020.21850066481-0.07340829216390.34699910770938.1408017527169.35350903775.488946157
120.01580320976450.001307231761560.0110781338270.0414299374667-0.01760248626250.0319226611191-0.04315098099950.2479950617430.0889063800991-0.00757052171914-0.0371861682974-0.311607537322-0.0783126574104-0.02867339328171.96057928068E-70.1010114495370.2067702763950.0611560619465-0.705475946473-0.1586874114590.176242356289-6.30273282715151.2976633191.2306315337
130.0007243029053440.0006022075255760.00839555250240.005043965495460.003674529950330.000391530129439-0.0489789852930.1254630631750.148722046064-0.134147751371-0.024346017581-0.0669156325755-0.01583207966470.124628325862-5.46095210653E-70.2759410969610.02188202954620.06288795545260.2423597614720.03480223441370.247919948553-8.42021450233150.07684936485.3558308425
140.01333574714620.0221857918235-0.009099505914990.0149313347732-0.006654747087870.00910548821567-0.07324588062040.2434696535030.0114532011362-0.08409548340710.0432728031565-0.001282112688580.1090190491630.032972140366-1.72572672587E-70.247852786980.04678740021170.02192119881490.286484723167-0.0281164874350.228008596878-16.706808318146.07633120291.8850864992
150.00857376875573-0.018390689395-0.01882763419060.00780707682776-0.00262009258327-0.00339619552417-0.0394467657817-0.111670882096-0.01260965740680.29546891854-0.04046887528270.1075694862980.0442105897346-0.1998099878911.79276310243E-70.3960534051180.06972529126320.04584803927220.309324217282-0.05492964878860.324270896417-20.0171988583152.427222069102.102216784
160.0179721551409-0.0162861028758-0.02436044140340.01407756178840.02923914531690.0278097536229-0.0100140294826-0.149611377941-0.04956444988680.0814568534642-0.1670324507070.1305013922680.0876915593069-0.0391890591683-2.4729956474E-80.154412341614-0.02112019552570.01867300387140.132108352254-0.04582712759250.235328751491-10.9092227399139.825034237103.712527376
170.000964418759740.002714619898270.009538246573170.00415470237944-0.005463210723340.00590565811926-0.00161829665946-0.06377638666160.03317508233770.0602481942354-0.0382382321451-0.002607395117910.06611644085980.06534045413446.93039585661E-70.2639620862-0.07883016641190.008723633551620.590556071532-0.04438036672880.3266011093488.56014708086145.7501911111.668524143
180.01018208903060.00339667150676-0.01476448474770.00414594524171-0.00330053717597-0.00187254652454-0.0336672769389-0.07475498739530.0362243657851-0.0785296678249-0.0008380229786860.0770618782138-0.119089388323-0.01842432468727.41887177716E-70.415190807317-0.02171156578350.01758111859480.615265319971-0.04889661544090.39419368338613.7720387647141.923480274103.04560623
190.000960198085815-0.00642883113307-0.00989766169996-0.002916838457480.01032628400080.004935059045750.0285301658048-0.03235760843080.06205872241210.01729381481260.0356826022302-0.06760950650920.01500721670730.1572454558971.67690306068E-60.243791910123-0.06130569806640.04108745214760.224484679964-0.05084090564390.2157314859595.62375029611138.653054823100.229617095
200.017697481549-0.01473889021830.006001500792320.0108087843514-0.007908725510090.0110373547686-0.0529853960654-0.2487865431540.00366914840754-0.0990064252051-0.186031635293-0.1278512127690.1611708279650.0628621374085-2.62681054585E-80.261635878355-0.00319953715648-0.01837872514160.2928316919060.004073186567850.2347920568063.37468808408132.882587564109.745800885
210.001284856216550.00897693482541-0.01202189886650.01336027098110.009058769292370.003985954687770.0648094869955-0.0828869020292-0.0248682572330.0269070792239-0.02158032264320.07255118355480.110819526516-0.057480155933.3874048181E-70.260770771355-0.06928028767540.02101328007510.172829781074-0.007872745890770.173577285415-8.57506406716132.607070787112.590144803
220.01345613387230.002937100114360.008314040077280.01113070771350.009479361006270.00891884257513-0.00418667309372-0.02469355041910.0214065807488-0.05899425677680.00147979578787-0.1163424849340.03808601607410.0602694664385-1.83949314353E-70.34322672471-0.002491746045980.02861080857980.3114712591250.1384175061570.381763056419.6199024147168.44679062823.5123802627
230.02496421205540.02501778084940.01967830973360.0128843498786-0.004869941084190.01155217684350.09378731791420.1487724512620.0191001513201-0.103487039840.0342093855260.096346143751-0.0739776050767-0.04140617157873.53367959558E-80.245925699226-0.05052314608860.001440883957280.3061085118260.1316697740780.31165820065313.0616397094174.23057996518.2586868611
24-0.0570782952480.0898207992180.0227247832475-0.01668238894890.004210283798640.01649048788580.2025072141480.03931093756360.01277525436930.0486307206917-0.01154463736840.116840723602-0.1072761580010.339944368499-5.54341054835E-80.0588273391214-0.6666166726920.360750758138-1.940103053551.58160283821-0.42689871831513.4650545452177.9294299831.2733942584
25-0.00586292255321-0.001434529757260.00297178846316-0.002061195118470.0004090798355150.006594210836210.09963057406610.1581611379250.0604886674085-0.05017642139850.0902844017392-0.04102998735-0.0772030331217-0.0250436577583-2.89392178836E-60.361584063944-0.03787414358170.01549426129640.4418440367030.07288399043820.372413765058-9.3419606914163.20534574133.5591329354
260.02465703385140.04776028083180.04191938199590.00757742344089-0.01968615904110.04417587856690.1091886320880.4312382277060.104800251050.0419545366945-0.00955121199862-0.0921986300860.0627927956925-0.355683122847-6.97523594306E-90.207136897688-0.08527597638370.00815011433031-0.6197573252330.4619344953810.255728309965-2.76525115513174.89525540235.1471905165
270.0302508835175-0.00342062488244-0.007721094733380.01094380531080.01364791223020.01814940978640.01589274638060.119756063362-0.027477512310.002341268805660.01609289311290.008111228372-0.02742308618490.09070103309193.0375913114E-70.293669096299-0.0525737048480.09168740774480.3432431138870.1218620988640.321528217877-5.31799612916163.3076850610.8417830969
280.06850632403780.1020661763660.007041925764660.133296059819-0.0252570336370.0190621529437-0.02514669428150.1361417967980.0531578544878-0.0817650062142-0.149571238123-0.0171819420325-0.02960703733940.0306783384375-1.40785642757E-80.2845231898980.01982374486460.009686895705960.2803539289970.07885286471680.244703632736-14.3315528126163.91583675410.9877896376
29-0.002444925403090.020087563644-0.02724102442260.0206188599099-0.02712853991710.01821643953490.0110551143778-0.06391336530440.1829254831690.025256452397-0.06256802739160.002783071502010.05436889725550.09577198958071.67660356171E-70.2836890209360.0261299150813-0.04851888870930.2150538143160.009523284698560.252562842489-14.4495383224151.93641169723.1289841591
30-0.000178706139814-0.005909926958030.001254918418870.0006146348053680.00333382387540.003300148206-0.02827763067980.05756221858510.0365724886387-0.0804747200507-0.0300195331897-0.0242954422044-0.0026968897782-0.0268624826045-1.97749244757E-60.7699145831030.155920078702-0.2673555456610.446286538974-0.02895135816810.165560133241-8.20270641222134.9430956623.0027073734
310.02342960578-0.02593372351950.02111156096610.0565836280959-0.01811158711250.03322123730440.02731701905710.149151709844-0.01712011707340.0593278458338-0.0581736278869-0.05529294585040.107463747282-0.0638522722503-2.18854610547E-70.2975503400910.00967056560684-0.03095962356560.205865622347-0.02202137997090.173834004491-14.0817160357142.87220588223.3015759188
320.001906370344690.000666411092379-0.003562110955290.00968504679231-0.003786331553930.002848745227390.0226682703455-0.02054616058190.1893071409490.0356470439394-0.1153477893860.133045705865-0.0420772789736-0.06436912762943.55838799885E-70.235477308968-0.0693993436822-0.02992605228860.279095546329-0.001699149519210.283607590381-24.9990688984150.80830814928.6583001931
330.0246490421549-0.0213187786411-0.00389546246636-0.009669743496180.0232151571050.00972861336471-0.02763281284060.0936607706967-0.0915418028532-0.07139718912990.141657045537-0.130641392332-0.2827736746950.1649070185843.41548135264E-80.293259841498-0.0133958621295-0.02393109238230.366887777507-0.0868824971460.226279165674-6.45806303573135.481420832-1.16876020174
340.0811100831193-0.01855910716520.03910763637180.04465575085610.02759746149730.0274136492072-0.1073061279430.2775012303720.0002456536249740.01872265128670.127147128843-0.00561101483214-0.0844762865648-0.2270717047911.5335749637E-80.215376803737-0.016906277969-0.02566864325550.416582874695-0.1031736240040.160324057862-15.8851052566130.5044512041.49751747283
350.01625306294590.00623976880198-0.0176930355083-0.02024453840480.01973183236880.00434760026548-0.0313476478264-0.129066863466-0.08492363739790.0248395072865-0.02508946770810.0936620899550.005458658873530.05268422695326.75455409218E-80.2329535943410.0369544402166-0.03859119083640.333715837428-0.1214536948120.2973457698780.329937725949126.42284665310.946600481
360.0821071251333-0.05000195034320.06633695484010.01671722925430.006902873311810.0693202357150.0139597601692-0.00828806833716-0.137141344149-0.01761526139620.04745856399010.0790202564763-0.03281466620610.268959321937.09878343407E-90.2185972884310.0401805965593-0.0205041382010.493409429637-0.0884793304540.2102692467718.02188855182122.63965752911.3422683675
370.072879707502-0.009805435784960.00606332722890.0412043975943-0.02562062242340.04355672982960.04869369665180.06054162146470.02495125562960.0508205952194-0.03846168886920.01396387027550.009899654742810.02479051337031.37646801198E-70.199881052275-0.039709126871-0.01403272902850.2539059797530.05438736483050.21797940896-10.9096051229154.8390090449.7965669553
380.03892985320270.01110982787980.02558400562520.0247768938481-0.03920435502480.00428936627691-0.01988978313410.0553596919026-0.0225761949178-0.009564345572810.08103195339440.0769010948858-0.11853305555-0.14602850369-2.98194260902E-70.2120797120590.00864283625920.01898945126040.1910906256860.03390434895950.210430186242-21.9042025964159.62858643755.9361566247
390.07166277776750.0356325668426-0.002554406273220.05688064133550.01078298364180.059287986890.0466724289689-0.008255512849450.0633593639841-0.0003680758629930.00423767806947-0.08030673694790.0549728279063-0.00181146233892-1.29463311935E-70.16602698662-0.00843168479688-0.01853609389970.2169132253260.02548179035480.177049301688-7.28299182584141.49918647463.6112401526
400.00711810605756-0.064864464683-0.01191962284180.0453957627616-0.06002619848850.0283932537302-0.0511890133505-0.195098087847-0.0828821472210.09251247962680.04564431868760.03695544264030.2225082596-0.2233258163791.62854531805E-70.161283681096-0.002720770833030.01443272607370.2308086051490.03815033738110.193142155412-15.9635521829136.6319220769.6388951833
410.0190535199893-0.0152169261586-0.001625668202450.029326236714-0.01291111956670.0296083551247-0.02075057394620.181920879047-0.09573075931920.011750750677-0.01801546916160.0352885582193-0.08225536220490.0597347976764-8.02101282365E-80.2639815209340.020845728278-0.002850195391710.433295630647-0.07618673461650.22837167665425.1603317184134.50461991325.5237034038
420.03071212978970.0612436104468-0.04137909942040.0893952417245-0.005345096214560.00549742179815-0.2973023203460.2498152775570.119566985506-0.03638486878880.0581434542117-0.0927989331231-0.1101502787810.209263528564-3.78763169431E-80.1460126399590.08982116003620.1302161429710.29153947422-0.293715731076-0.14449922231930.5187220296127.32129877628.4244977669
430.08523677907320.145870571541-0.03766092639380.07619830567870.005326264136920.0862530504781-0.08408537277850.0951903502435-0.00377465260162-0.02700702229060.07591431162910.0311957735114-0.03256134818620.1464276208691.10572659879E-80.198841536242-0.06169849091010.01247726013210.363559069555-0.01048739342570.19478910911537.2876249794149.71123203336.649532563
440.00516364459033-0.00551530779315-6.98177119277E-50.001033431641010.002753083632690.00831298638830.2841860246330.04513641848320.14789873837-0.1214334534280.1378835261110.1469457115520.0223479486296-0.01769599901312.81303425467E-60.3193876829240.0849693601192-0.163230758550.276562655553-0.01500556381890.220253687927-8.11417372434133.94857946737.4650834635
450.02049471136250.01712281109990.003233594571830.0372218748503-0.00766240335720.009815767170830.1406969247660.04115221432690.008081446353670.05254704059770.07695566817170.166951861560.1648018801240.118768528073-2.66417188728E-90.2582200624750.0998758026527-0.05732101406620.219262456568-0.04043434219160.1315903554896.94861282769131.92308000941.3083451326
460.1127908558770.0274773504867-0.0216884046670.08166652903220.0250170790331-0.003319460656480.163988052689-0.0136237949164-0.263040660166-0.223322251548-0.218280702520.275705322988-0.1073837355840.05796572588032.67602432153E-80.2699397525540.0632080657645-0.05990474860940.157702925466-0.05927819219130.266981812328-4.53217739853125.17649705943.6969056466
470.03443751549-0.01883124636820.03212127122290.0156017268943-0.01428729432550.005811648248990.18787199426-0.00385896509480.0269944554326-0.0405652962358-0.3167884238840.0190371992485-0.01526929736240.158310009227-1.12412120174E-70.1515403421450.0773525516001-0.02527619190280.039759287666-0.1052803776010.11781466900512.5869708355128.46101606552.8200712794
48-0.0135264227950.007965565235220.0006607856252370.02232115100660.0010553221675-0.01666385879530.09007452514270.01284986933210.0453125037659-0.1709099606230.0244012537382-0.06960414190090.06890472578910.05538988454412.98257685996E-70.2674724220820.06195204910120.05158533383180.400778225703-0.0403118458440.1407366708425.8111892813136.68094483450.0043703185
490.0213794143833-0.03266670769810.003261664279940.006911873279620.03160753335870.03300250988680.3100545744460.1338969658040.1118239422330.0174011712489-0.1586265151410.05309145736960.1076867030880.2124395037072.93948639066E-80.1647027232180.09587604202490.0352843457736-0.0741056843229-0.372771790769-0.53146106740619.5418283394124.1576793554.154947287
500.02277675343280.004362344647680.03091961168540.05658958557910.0482863541551-0.0066697701374-0.115791312876-0.03456640336290.09951294023520.0822590467150.0880761809206-0.054553602945-0.07982067245530.2150987808591.87979921183E-70.215379271084-0.0714042868198-0.02164909396290.1645472751980.06851374283860.28030037214729.0354882849167.92118909650.4357155293
510.004540081740730.006403167406460.0220622929923-0.009946382718620.02041601407020.00249923303208-0.07898123741060.0206515484286-0.04322980039440.0432728129767-0.1067768604990.00856262409745-0.0448904217576-0.09593893202963.73653765164E-80.306545467851-0.0728612460512-0.02420636352520.1683749330440.06073925225880.34244268624919.2294199768169.82859537743.6515108742
520.008543884037220.00383290383173-0.004452991382930.04840231750950.05515592283950.0258171613533-0.194732184648-0.0136734212510.350791858411-0.0314110893032-0.0009912394056-0.217811504278-0.2009502448210.07894010825271.5350254142E-80.337497487255-0.126821493103-0.127168174196-0.0006044322946050.1120355282870.58657286020430.31989717180.80526038751.8018309163
530.0102984489827-0.0022081871257-0.02211123799730.0236623405393-0.01592115721720.0191336170113-0.0783391614748-0.1893713260280.1448860229620.1263874192550.2427495757740.105623944641-0.0462884432098-0.254485927576-9.86888501908E-80.4256407647080.0923124396333-0.0078229462590.4150822024320.01852592212060.4727338784429.18260946865175.31781054964.1924342722
542.18892621356E-50.004148063156550.003972927345150.0035518903879-0.00174557649793-0.00326268044958-0.07283620523590.0136520754789-0.0281144087937-0.0177152599745-0.165069038431-0.01489807673480.0208127769966-0.007703914072097.69878426394E-70.602796436447-0.0575587552830.0006091218428330.5640292775920.04893881295060.744511142534-0.0412810832501168.04058583558.511609212
550.002363538836940.010881449312-0.02287293852110.0130476252072-0.01168610398180.00753184456951-0.251352354737-0.388800166390.251875977958-0.2030197391640.264035538183-0.08312612735180.0309861706421-0.2759105997631.51763827332E-90.4129831643060.125760004525-0.04371414979320.19086094273-0.09869754049050.3795654918997.58883961306183.22682484161.0535695189
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'C' and (resid 1 through 25 )CA1 - 251 - 25
22chain 'C' and (resid 26 through 68 )CA26 - 6826 - 68
33chain 'C' and (resid 69 through 101 )CA69 - 10169 - 101
44chain 'C' and (resid 102 through 149 )CA102 - 149102 - 149
55chain 'C' and (resid 150 through 184 )CA150 - 184150 - 184
66chain 'B' and (resid 1 through 13 )BB1 - 131 - 13
77chain 'B' and (resid 14 through 25 )BB14 - 2514 - 25
88chain 'B' and (resid 26 through 79 )BB26 - 7926 - 79
99chain 'B' and (resid 80 through 91 )BB80 - 9180 - 91
1010chain 'B' and (resid 92 through 138 )BB92 - 13892 - 138
1111chain 'B' and (resid 139 through 182 )BB139 - 182139 - 182
1212chain 'D' and (resid 2 through 40 )DC2 - 401 - 39
1313chain 'D' and (resid 41 through 50 )DC41 - 5040 - 49
1414chain 'D' and (resid 51 through 68 )DC51 - 6850 - 67
1515chain 'D' and (resid 69 through 88 )DC69 - 8868 - 87
1616chain 'D' and (resid 89 through 111 )DC89 - 11188 - 110
1717chain 'D' and (resid 112 through 123 )DC112 - 123111 - 122
1818chain 'D' and (resid 124 through 138 )DC124 - 138123 - 137
1919chain 'D' and (resid 139 through 149 )DC139 - 149138 - 148
2020chain 'D' and (resid 150 through 168 )DC150 - 168149 - 167
2121chain 'D' and (resid 169 through 185 )DC169 - 185168 - 184
2222chain 'H' and (resid 1 through 22 )HD1 - 221 - 22
2323chain 'H' and (resid 23 through 61 )HD23 - 6123 - 61
2424chain 'H' and (resid 62 through 114 )HD62 - 11462 - 114
2525chain 'H' and (resid 115 through 124 )HD115 - 124115 - 124
2626chain 'H' and (resid 125 through 175 )HD125 - 175125 - 175
2727chain 'G' and (resid 1 through 22 )GE1 - 221 - 22
2828chain 'G' and (resid 23 through 85 )GE23 - 8523 - 85
2929chain 'G' and (resid 86 through 114 )GE86 - 11486 - 114
3030chain 'G' and (resid 115 through 124 )GE115 - 124115 - 124
3131chain 'G' and (resid 125 through 161 )GE125 - 161125 - 161
3232chain 'G' and (resid 162 through 175 )GE162 - 175162 - 175
3333chain 'F' and (resid 2 through 36 )FF2 - 361 - 32
3434chain 'F' and (resid 37 through 85 )FF37 - 8533 - 81
3535chain 'F' and (resid 86 through 114 )FF86 - 11482 - 110
3636chain 'F' and (resid 115 through 175 )FF115 - 175111 - 169
3737chain 'K' and (resid 0 through 46 )KG0 - 461 - 47
3838chain 'K' and (resid 47 through 84 )KG47 - 8448 - 85
3939chain 'K' and (resid 85 through 140 )KG85 - 14086 - 141
4040chain 'K' and (resid 141 through 178 )KG141 - 178142 - 179
4141chain 'I' and (resid -1 through 36 )IH-1 - 361 - 35
4242chain 'I' and (resid 37 through 85 )IH37 - 8536 - 84
4343chain 'I' and (resid 86 through 175 )IH86 - 17585 - 168
4444chain 'J' and (resid 1 through 12 )JI1 - 121 - 12
4545chain 'J' and (resid 13 through 36 )JI13 - 3613 - 36
4646chain 'J' and (resid 37 through 85 )JI37 - 8537 - 85
4747chain 'J' and (resid 86 through 114 )JI86 - 11486 - 114
4848chain 'J' and (resid 115 through 130 )JI115 - 130115 - 128
4949chain 'J' and (resid 131 through 176 )JI131 - 176129 - 174
5050chain 'A' and (resid 1 through 25 )AJ1 - 251 - 25
5151chain 'A' and (resid 26 through 50 )AJ26 - 5026 - 50
5252chain 'A' and (resid 51 through 101 )AJ51 - 10151 - 101
5353chain 'A' and (resid 102 through 127 )AJ102 - 127102 - 127
5454chain 'A' and (resid 128 through 138 )AJ128 - 138128 - 138
5555chain 'A' and (resid 139 through 182 )AJ139 - 182139 - 182

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