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- PDB-3ezq: Crystal Structure of the Fas/FADD Death Domain Complex -

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Basic information

Entry
Database: PDB / ID: 3ezq
TitleCrystal Structure of the Fas/FADD Death Domain Complex
Components
  • Protein FADD
  • Tumor necrosis factor receptor superfamily member 6
KeywordsAPOPTOSIS / DISC / FAS / FADD / Membrane / receptor / Transmembrane
Function / homology
Function and homology information


Fas signaling pathway / positive regulation of CD8-positive, alpha-beta cytotoxic T cell extravasation / negative regulation of activation-induced cell death of T cells / cellular response to hyperoxia / death effector domain binding / tumor necrosis factor receptor superfamily binding / tumor necrosis factor receptor activity / FasL/ CD95L signaling / TRAIL signaling / CD95 death-inducing signaling complex ...Fas signaling pathway / positive regulation of CD8-positive, alpha-beta cytotoxic T cell extravasation / negative regulation of activation-induced cell death of T cells / cellular response to hyperoxia / death effector domain binding / tumor necrosis factor receptor superfamily binding / tumor necrosis factor receptor activity / FasL/ CD95L signaling / TRAIL signaling / CD95 death-inducing signaling complex / death-inducing signaling complex assembly / ripoptosome / : / Defective RIPK1-mediated regulated necrosis / TRAIL-activated apoptotic signaling pathway / TRIF-mediated programmed cell death / TLR3-mediated TICAM1-dependent programmed cell death / caspase binding / Regulation by c-FLIP / CASP8 activity is inhibited / Dimerization of procaspase-8 / positive regulation of adaptive immune response / Caspase activation via Death Receptors in the presence of ligand / necroptotic signaling pathway / positive regulation of macrophage differentiation / NF-kB activation through FADD/RIP-1 pathway mediated by caspase-8 and -10 / activation of cysteine-type endopeptidase activity / death-inducing signaling complex / receptor serine/threonine kinase binding / negative regulation of necroptotic process / positive regulation of innate immune response / tumor necrosis factor receptor binding / positive regulation of type I interferon-mediated signaling pathway / death receptor binding / positive regulation of extrinsic apoptotic signaling pathway / motor neuron apoptotic process / TNFR1-induced proapoptotic signaling / TP53 Regulates Transcription of Death Receptors and Ligands / RIPK1-mediated regulated necrosis / regulation of stress-activated MAPK cascade / activation-induced cell death of T cells / T cell homeostasis / positive regulation of activated T cell proliferation / positive regulation of proteolysis / positive regulation of execution phase of apoptosis / behavioral response to cocaine / extrinsic apoptotic signaling pathway via death domain receptors / lymph node development / extrinsic apoptotic signaling pathway in absence of ligand / signaling adaptor activity / spleen development / extrinsic apoptotic signaling pathway / cellular response to amino acid starvation / thymus development / kidney development / apoptotic signaling pathway / positive regulation of interleukin-8 production / Regulation of TNFR1 signaling / positive regulation of apoptotic signaling pathway / kinase binding / Regulation of necroptotic cell death / cellular response to mechanical stimulus / cytoplasmic side of plasma membrane / positive regulation of T cell mediated cytotoxicity / positive regulation of type II interferon production / positive regulation of tumor necrosis factor production / signaling receptor activity / protein-macromolecule adaptor activity / T cell differentiation in thymus / cell body / protein-containing complex assembly / protease binding / defense response to virus / regulation of apoptotic process / positive regulation of canonical NF-kappaB signal transduction / nuclear body / calmodulin binding / immune response / positive regulation of apoptotic process / positive regulation of protein phosphorylation / membrane raft / external side of plasma membrane / innate immune response / protein-containing complex binding / negative regulation of apoptotic process / apoptotic process / cell surface / signal transduction / positive regulation of transcription by RNA polymerase II / extracellular exosome / identical protein binding / plasma membrane / cytosol / cytoplasm
Similarity search - Function
Fas receptor / Fas receptor, death domain / Fas receptor, N-terminal / FADD / : / Death effector domain / Death effector domain / Death effector domain (DED) profile. / Death effector domain / Death Domain, Fas ...Fas receptor / Fas receptor, death domain / Fas receptor, N-terminal / FADD / : / Death effector domain / Death effector domain / Death effector domain (DED) profile. / Death effector domain / Death Domain, Fas / Death Domain, Fas / TNFR/NGFR family cysteine-rich region domain profile. / TNFR/NGFR cysteine-rich region / TNFR/NGFR family cysteine-rich region signature. / Tumor necrosis factor receptor / nerve growth factor receptor repeats. / TNFR/NGFR cysteine-rich region / Death domain profile. / DEATH domain, found in proteins involved in cell death (apoptosis). / Death domain / Death domain / Death-like domain superfamily / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
Tumor necrosis factor receptor superfamily member 6 / FAS-associated death domain protein
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.73 Å
AuthorsSchwarzenbacher, R. / Robinson, H. / Stec, B. / Riedl, S.J.
CitationJournal: Nature / Year: 2009
Title: The Fas-FADD death domain complex structure unravels signalling by receptor clustering
Authors: Scott, F.L. / Stec, B. / Pop, C. / Dobaczewska, M.K. / Lee, J.J. / Monosov, E. / Robinson, H. / Salvesen, G.S. / Schwarzenbacher, R. / Riedl, S.J.
History
DepositionOct 23, 2008Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Dec 23, 2008Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Jul 20, 2011Group: Refinement description
Revision 1.3Dec 27, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ncs_dom_lim / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Tumor necrosis factor receptor superfamily member 6
B: Protein FADD
C: Tumor necrosis factor receptor superfamily member 6
D: Protein FADD
E: Tumor necrosis factor receptor superfamily member 6
F: Protein FADD
G: Tumor necrosis factor receptor superfamily member 6
H: Protein FADD
I: Tumor necrosis factor receptor superfamily member 6
J: Protein FADD
K: Tumor necrosis factor receptor superfamily member 6
L: Protein FADD
M: Tumor necrosis factor receptor superfamily member 6
N: Protein FADD
O: Tumor necrosis factor receptor superfamily member 6
P: Protein FADD
hetero molecules


Theoretical massNumber of molelcules
Total (without water)217,47536
Polymers216,13916
Non-polymers1,33720
Water3,189177
1
A: Tumor necrosis factor receptor superfamily member 6
B: Protein FADD
C: Tumor necrosis factor receptor superfamily member 6
D: Protein FADD
hetero molecules


Theoretical massNumber of molelcules
Total (without water)54,2738
Polymers54,0354
Non-polymers2384
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8560 Å2
ΔGint-76.3 kcal/mol
Surface area22340 Å2
MethodPISA
2
E: Tumor necrosis factor receptor superfamily member 6
F: Protein FADD
G: Tumor necrosis factor receptor superfamily member 6
H: Protein FADD
hetero molecules


Theoretical massNumber of molelcules
Total (without water)54,3699
Polymers54,0354
Non-polymers3345
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8660 Å2
ΔGint-82.6 kcal/mol
Surface area22240 Å2
MethodPISA
3
I: Tumor necrosis factor receptor superfamily member 6
J: Protein FADD
K: Tumor necrosis factor receptor superfamily member 6
L: Protein FADD
hetero molecules


Theoretical massNumber of molelcules
Total (without water)54,46510
Polymers54,0354
Non-polymers4306
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8910 Å2
ΔGint-100.9 kcal/mol
Surface area22230 Å2
MethodPISA
4
M: Tumor necrosis factor receptor superfamily member 6
N: Protein FADD
O: Tumor necrosis factor receptor superfamily member 6
P: Protein FADD
hetero molecules


Theoretical massNumber of molelcules
Total (without water)54,3699
Polymers54,0354
Non-polymers3345
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8680 Å2
ΔGint-96.7 kcal/mol
Surface area22240 Å2
MethodPISA
Unit cell
Length a, b, c (Å)126.218, 126.218, 299.274
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number169
Space group name H-MP61
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21C
31E
41G
51I
61K
71M
81O
12B
22D
32F
42H
52J
62L
72N
82P

NCS domain segments:

Component-ID: 1 / Refine code: 2

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ASNASNGLUGLUAA223 - 3371 - 115
21ASNASNGLUGLUCC223 - 3371 - 115
31ASNASNGLUGLUEE223 - 3371 - 115
41ASNASNGLUGLUGG223 - 3371 - 115
51ASNASNGLUGLUII223 - 3371 - 115
61ASNASNGLUGLUKK223 - 3371 - 115
71ASNASNGLUGLUMM223 - 3371 - 115
81ASNASNGLUGLUOO223 - 3371 - 115
12GLYGLYGLYGLYBB93 - 1911 - 99
22GLYGLYGLYGLYDD93 - 1911 - 99
32GLYGLYGLYGLYFF93 - 1911 - 99
42GLYGLYGLYGLYHH93 - 1911 - 99
52GLYGLYGLYGLYJJ93 - 1911 - 99
62GLYGLYGLYGLYLL93 - 1911 - 99
72GLYGLYGLYGLYNN93 - 1911 - 99
82GLYGLYGLYGLYPP93 - 1911 - 99

NCS ensembles :
ID
1
2

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Components

#1: Protein
Tumor necrosis factor receptor superfamily member 6 / FASLG receptor / Apoptosis-mediating surface antigen FAS / Apo-1 antigen / CD95 antigen


Mass: 13061.824 Da / Num. of mol.: 8 / Fragment: Fas DD, UNP residues 223-335
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: FAS, APT1, FAS1, TNFRSF6 / Plasmid: pet15 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: P25445
#2: Protein
Protein FADD / FAS-associated death domain protein / FAS-associating death domain-containing protein / Mediator of ...FAS-associated death domain protein / FAS-associating death domain-containing protein / Mediator of receptor induced toxicity


Mass: 13955.526 Da / Num. of mol.: 8 / Fragment: Fadd DD, UNP residues 93-208
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: FADD, MORT1 / Plasmid: pet15 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: Q13158
#3: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: SO4
#4: Chemical
ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Na
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 177 / 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: 3.18 Å3/Da / Density % sol: 61.37 %
Crystal growTemperature: 291 K / Method: evaporation / pH: 4
Details: 0.95M citric acid, 1.9M ammonium sulfate, pH4, EVAPORATION, temperature 291K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: NSLS / Beamline: X25 / Wavelength: 1 Å
DetectorDate: Aug 30, 2007
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.73→30 Å / Num. obs: 66820 / % possible obs: 98.7 % / Rmerge(I) obs: 0.076 / Net I/σ(I): 9.3
Reflection shellResolution: 2.731→2.801 Å / Rmerge(I) obs: 0.435 / Mean I/σ(I) obs: 1.7 / % possible all: 88.4

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Processing

Software
NameVersionClassification
ADSCQuantumdata collection
SOLVEphasing
REFMAC5.2.0019refinement
HKL-2000data reduction
SCALAdata scaling
RefinementMethod to determine structure: SAD / Resolution: 2.73→30 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.939 / SU B: 27.631 / SU ML: 0.272 / Cross valid method: THROUGHOUT / ESU R: 0.743 / ESU R Free: 0.355 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: 1. MAIN CHAIN AND SIDE CHAIN ATOMS WERE SPLIT FOR TLS REFINEMENT. 2. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
RfactorNum. reflection% reflectionSelection details
Rfree0.278 3556 5.1 %RANDOM
Rwork0.23388 ---
obs0.2361 66785 98.81 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 72.42 Å2
Baniso -1Baniso -2Baniso -3
1--1.07 Å2-0.53 Å20 Å2
2---1.07 Å20 Å2
3---1.6 Å2
Refinement stepCycle: LAST / Resolution: 2.73→30 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13688 0 68 177 13933
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0160.02213856
X-RAY DIFFRACTIONr_bond_other_d0.0030.029408
X-RAY DIFFRACTIONr_angle_refined_deg1.2791.96118672
X-RAY DIFFRACTIONr_angle_other_deg0.947323056
X-RAY DIFFRACTIONr_dihedral_angle_1_deg4.71151696
X-RAY DIFFRACTIONr_dihedral_angle_2_deg42.38825.506712
X-RAY DIFFRACTIONr_dihedral_angle_3_deg19.69152744
X-RAY DIFFRACTIONr_dihedral_angle_4_deg18.715112
X-RAY DIFFRACTIONr_chiral_restr0.0740.22176
X-RAY DIFFRACTIONr_gen_planes_refined0.0040.0215264
X-RAY DIFFRACTIONr_gen_planes_other0.0040.022520
X-RAY DIFFRACTIONr_nbd_refined0.230.23878
X-RAY DIFFRACTIONr_nbd_other0.1860.29556
X-RAY DIFFRACTIONr_nbtor_refined0.1850.26793
X-RAY DIFFRACTIONr_nbtor_other0.0890.27716
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.2060.2331
X-RAY DIFFRACTIONr_xyhbond_nbd_other0.0760.21
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.2370.2107
X-RAY DIFFRACTIONr_symmetry_vdw_other0.3230.263
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.2170.28
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.61848504
X-RAY DIFFRACTIONr_mcbond_other0.17243464
X-RAY DIFFRACTIONr_mcangle_it1.291613744
X-RAY DIFFRACTIONr_scbond_it1.97785489
X-RAY DIFFRACTIONr_scangle_it3.145124928
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION

Ens-IDDom-IDAuth asym-IDNumberTypeRms dev position (Å)Weight position
11A685tight positional0.040.05
12C685tight positional0.040.05
13E685tight positional0.030.05
14G685tight positional0.050.05
15I685tight positional0.040.05
16K685tight positional0.040.05
17M685tight positional0.040.05
18O685tight positional0.040.05
21B588tight positional0.030.05
22D588tight positional0.020.05
23F588tight positional0.020.05
24H588tight positional0.030.05
25J588tight positional0.030.05
26L588tight positional0.020.05
27N588tight positional0.020.05
28P588tight positional0.030.05
11A846medium positional0.570.5
12C846medium positional0.580.5
13E846medium positional0.570.5
14G846medium positional0.580.5
15I846medium positional0.530.5
16K846medium positional0.570.5
17M846medium positional0.620.5
18O846medium positional0.60.5
21B769medium positional0.610.5
22D769medium positional0.540.5
23F769medium positional0.550.5
24H769medium positional0.60.5
25J769medium positional0.550.5
26L769medium positional0.570.5
27N769medium positional0.560.5
28P769medium positional0.590.5
11A685tight thermal0.070.5
12C685tight thermal0.070.5
13E685tight thermal0.070.5
14G685tight thermal0.070.5
15I685tight thermal0.080.5
16K685tight thermal0.070.5
17M685tight thermal0.060.5
18O685tight thermal0.070.5
21B588tight thermal0.050.5
22D588tight thermal0.040.5
23F588tight thermal0.050.5
24H588tight thermal0.050.5
25J588tight thermal0.060.5
26L588tight thermal0.050.5
27N588tight thermal0.040.5
28P588tight thermal0.040.5
11A846medium thermal0.492
12C846medium thermal0.482
13E846medium thermal0.482
14G846medium thermal0.632
15I846medium thermal0.572
16K846medium thermal0.472
17M846medium thermal0.472
18O846medium thermal0.412
21B769medium thermal0.322
22D769medium thermal0.312
23F769medium thermal0.322
24H769medium thermal0.392
25J769medium thermal0.362
26L769medium thermal0.382
27N769medium thermal0.322
28P769medium thermal0.32
LS refinement shellResolution: 2.731→2.801 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.387 224 -
Rwork0.378 4265 -
obs--85.77 %
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
15.2624-4.2217-2.793710.82373.99875.39280.0937-0.59630.97361.13930.3385-0.3514-0.1379-0.2898-0.4322-0.0889-0.00290.155-0.3383-0.0836-0.3784-72.81117.875-36.453
24.72043.43881.384912.52845.7595.2126-0.05051.0713-0.9785-0.23550.1708-0.32580.4465-0.3666-0.1203-0.1557-0.19980.0873-0.0807-0.2141-0.3795-71.162-11.642-63.433
33.1611-3.43021.857111.378-5.95174.24890.0491-0.5467-0.62290.19980.28850.45490.08870.0122-0.3376-0.11140.0014-0.0113-0.30520.1505-0.4494-54.959-11.545-35.842
42.65212.4587-0.93859.0567-3.78445.5680.00930.33410.3578-0.1169-0.0842-0.0181-0.040.27750.0749-0.4761-0.06170.0267-0.3790.0784-0.5325-53.17617.867-62.753
59.1666-1.40373.10672.1915-0.75434.95710.0229-0.0894-0.26690.2743-0.0626-0.2743-0.17910.2350.0397-0.4696-0.0665-0.0939-0.39840.0278-0.5209-74.22854.303-55.913
66.2129-5.12844.33828.1029-4.72444.5248-0.00610.2473-0.0638-0.45910.31180.7385-0.0706-0.0918-0.3057-0.290.0626-0.1106-0.15180.0952-0.4595-100.60967.468-82.842
713.034-1.3289-5.30013.13561.51365.0990.5256-0.68970.81260.6837-0.35860.65970.0901-0.5289-0.167-0.3117-0.15390.15220.0574-0.2118-0.351-108.78153.459-55.233
86.582-4.8464-1.985410.29964.21514.91010.51880.8316-0.1745-0.8735-0.0459-1.04480.2427-0.0781-0.4729-0.28920.1017-0.0078-0.1631-0.1746-0.3804-84.04237.335-82.186
914.1039-5.86751.36017.9188-0.057112.6885-0.08340.25480.19350.25650.02982.0056-1.3038-3.24730.0535-0.05850.30750.28120.564-0.10520.3353-91.86322.473-41.933
1011.95737.24330.522910.72-0.13047.1321-0.00530.22820.28020.121-0.13671.71310.6896-1.45130.1420.0409-0.37930.25370.2471-0.36480.2249-90.85-16.604-60.53
115.9424-4.50361.988116.71161.11799.54790.1660.37770.1454-0.2904-0.7981-1.59840.67792.2050.6322-0.11910.16830.18760.23980.19050.2486-35.411-16.87-39.012
1214.30255.53-0.65487.6558-0.76877.59480.0653-0.24010.0860.3739-0.2239-1.7253-0.58981.82930.1587-0.2976-0.2581-0.14670.190.25530.0221-33.73322.006-57.862
1315.26615.40880.66267.8814-0.30517.9458-0.20710.48191.534-0.1357-0.0449-0.9843-1.33641.53290.252-0.1653-0.3427-0.17050.02820.24360.0228-60.94869.064-60.847
149.7853-5.7619-1.473613.0048-1.3069.1379-0.53490.20211.45110.7885-0.1239-1.0379-2.19040.5580.65870.2639-0.0572-0.311-0.1138-0.02150.2554-95.36587.052-79.699
1516.64934.4577-0.43795.6893-1.37067.86950.07490.2084-1.60150.1697-0.10560.60560.9825-1.25920.0307-0.1665-0.27760.16120.3578-0.37690.208-122.94138.898-58.157
164.0666-0.6653-1.152420.344-0.793811.11540.21480.1128-1.9282-0.1184-0.32180.96533.1531-0.37130.1070.6394-0.1027-0.0617-0.1512-0.30040.3821-89.57318.473-76.753
175.5587-5.1952-3.127513.80484.9115.99290.0601-0.6830.9911.25820.4048-0.4725-0.1387-0.2487-0.4649-0.21480.00220.1407-0.4209-0.0723-0.3004-72.8217.875-36.461
184.94154.39481.583814.366.67586.0428-0.11021.0386-1.1018-0.32160.2749-0.26540.466-0.3982-0.1647-0.2887-0.21210.0383-0.1771-0.1897-0.2003-71.165-11.642-63.455
193.6036-4.65542.299113.6676-7.51875.20720.0476-0.5876-0.69010.20060.30860.59690.0468-0.0469-0.3562-0.2452-0.0092-0.0203-0.40620.1209-0.3274-54.959-11.541-35.845
203.13593.2779-1.356210.8935-4.68636.3143-0.00890.4010.3896-0.1676-0.0718-0.01150.0320.24950.0808-0.6116-0.05070.0307-0.48940.073-0.4599-53.17117.865-62.767
2111.737-1.80984.12152.4794-0.92915.60640.0322-0.1519-0.28510.3391-0.0778-0.2942-0.17070.17390.0455-0.57-0.0748-0.0878-0.54360.0172-0.4626-74.22554.305-55.918
227.0207-6.61315.46510.0978-5.83445.4710.00680.2489-0.1161-0.51580.30930.8377-0.0188-0.0702-0.3161-0.41660.0326-0.0842-0.2680.0891-0.3436-100.60467.473-82.855
2315.7179-1.8122-6.41843.17651.99556.05280.5622-0.80710.86260.6218-0.37770.80160.1382-0.5593-0.1845-0.4354-0.19020.166-0.0475-0.1699-0.1876-108.77153.46-55.231
247.9482-6.4019-2.558412.14695.03835.57780.53810.9068-0.1391-0.9523-0.051-1.0770.2071-0.0661-0.487-0.40050.0759-0.0115-0.2701-0.1656-0.306-84.04837.333-82.195
2518.0683-6.99860.328813.1289-0.633115.180.02890.39340.41850.39120.17062.62-1.446-3.8706-0.1994-0.18740.350.27350.5759-0.08340.4704-91.89222.43-41.932
2613.47528.24610.753810.42941.6598.70350.04350.07620.34160.2842-0.30631.77910.7231-1.70640.2628-0.1017-0.43720.20820.1441-0.3190.4412-90.845-16.613-60.525
2717.095-6.84293.337511.353-2.340310.63780.18150.61610.3181-0.7605-0.0791-2.86260.67042.6351-0.1023-0.03830.17710.20760.17930.3320.1876-35.416-16.874-39.011
2816.59525.9712-0.95979.3914-1.37339.09980.0975-0.25690.19890.4593-0.2534-2.0178-0.71132.13410.156-0.436-0.2849-0.14260.12380.23860.1612-33.7522.017-57.868
2917.69495.85131.30489.1023-0.42569.696-0.170.50831.7379-0.1537-0.0684-1.1236-1.51561.82030.2384-0.2796-0.3779-0.1477-0.07390.22250.1556-60.95769.048-60.86
307.2902-2.0970.32921.0007-3.475110.2518-0.1382-0.46992.35520.7866-0.0099-1.6037-2.48070.76060.1480.23780.0093-0.4305-0.09170.01320.2026-95.3787.043-79.711
3118.71336.0038-1.54017.0833-1.02139.32820.08390.3556-1.85690.1023-0.13680.64941.1674-1.47750.053-0.316-0.31260.17580.2831-0.3390.3652-122.94438.917-58.162
326.6444-0.8942-1.313124.8565-0.229713.67620.24080.1367-2.4132-0.0281-0.2971.0353.8119-0.50120.05630.6898-0.1349-0.0465-0.2742-0.27420.5288-89.58118.469-76.757
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A223 - 337
2X-RAY DIFFRACTION2C223 - 337
3X-RAY DIFFRACTION3E223 - 337
4X-RAY DIFFRACTION4G223 - 337
5X-RAY DIFFRACTION5I223 - 337
6X-RAY DIFFRACTION6K223 - 337
7X-RAY DIFFRACTION7M223 - 337
8X-RAY DIFFRACTION8O223 - 337
9X-RAY DIFFRACTION9B93 - 191
10X-RAY DIFFRACTION10D93 - 191
11X-RAY DIFFRACTION11F93 - 191
12X-RAY DIFFRACTION12H93 - 191
13X-RAY DIFFRACTION13J93 - 191
14X-RAY DIFFRACTION14L93 - 191
15X-RAY DIFFRACTION15N93 - 191
16X-RAY DIFFRACTION16P93 - 191
17X-RAY DIFFRACTION17A223 - 337
18X-RAY DIFFRACTION18C223 - 337
19X-RAY DIFFRACTION19E223 - 337
20X-RAY DIFFRACTION20G223 - 337
21X-RAY DIFFRACTION21I223 - 337
22X-RAY DIFFRACTION22K223 - 337
23X-RAY DIFFRACTION23M223 - 337
24X-RAY DIFFRACTION24O223 - 337
25X-RAY DIFFRACTION25B93 - 191
26X-RAY DIFFRACTION26D93 - 191
27X-RAY DIFFRACTION27F93 - 191
28X-RAY DIFFRACTION28H93 - 191
29X-RAY DIFFRACTION29J93 - 191
30X-RAY DIFFRACTION30L93 - 191
31X-RAY DIFFRACTION31N93 - 191
32X-RAY DIFFRACTION32P93 - 191

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