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

ID or keywords:

Entry

Database: PDB / ID: 3ezq

Title

Crystal Structure of the Fas/FADD Death Domain Complex

Components

Protein FADD
Tumor necrosis factor receptor superfamily member 6

Keywords

APOPTOSIS / DISC / FAS / FADD / Membrane / receptor / Transmembrane

Function / homology

Function and homology information

positive regulation of CD8-positive, alpha-beta cytotoxic T cell extravasation / Fas signaling pathway / cellular response to hyperoxia / negative regulation of activation-induced cell death of T cells / death effector domain binding / tumor necrosis factor receptor activity / tumor necrosis factor receptor superfamily binding / FasL/ CD95L signaling / TRAIL signaling / CD95 death-inducing signaling complex ...positive regulation of CD8-positive, alpha-beta cytotoxic T cell extravasation / Fas signaling pathway / cellular response to hyperoxia / negative regulation of activation-induced cell death of T cells / death effector domain binding / tumor necrosis factor receptor activity / tumor necrosis factor receptor superfamily binding / FasL/ CD95L signaling / TRAIL signaling / CD95 death-inducing signaling complex / activation-induced cell death of T cells / death-inducing signaling complex assembly / ripoptosome / Defective RIPK1-mediated regulated necrosis / TRAIL-activated apoptotic signaling pathway / caspase binding / TRIF-mediated programmed cell death / Regulation by c-FLIP / CASP8 activity is inhibited / Dimerization of procaspase-8 / TLR3-mediated TICAM1-dependent programmed cell death / positive regulation of adaptive immune response / Caspase activation via Death Receptors in the presence of ligand / positive regulation of macrophage differentiation / necroptotic signaling pathway / NF-kB activation through FADD/RIP-1 pathway mediated by caspase-8 and -10 / death-inducing signaling complex / receptor serine/threonine kinase binding / negative regulation of necroptotic process / positive regulation of type I interferon-mediated signaling pathway / tumor necrosis factor receptor binding / positive regulation of innate immune response / death receptor binding / positive regulation of extrinsic apoptotic signaling pathway / TP53 Regulates Transcription of Death Receptors and Ligands / TNFR1-induced proapoptotic signaling / motor neuron apoptotic process / RIPK1-mediated regulated necrosis / regulation of stress-activated MAPK cascade / positive regulation of reactive oxygen species biosynthetic process / T cell homeostasis / positive regulation of activated T cell proliferation / positive regulation of proteolysis / extrinsic apoptotic signaling pathway via death domain receptors / positive regulation of execution phase of apoptosis / lymph node development / spleen development / behavioral response to cocaine / extrinsic apoptotic signaling pathway / extrinsic apoptotic signaling pathway in absence of ligand / signaling adaptor activity / cellular response to amino acid starvation / thymus development / positive regulation of apoptotic signaling pathway / positive regulation of interleukin-8 production / apoptotic signaling pathway / kidney development / Regulation of TNFR1 signaling / cellular response to mechanical stimulus / Regulation of necroptotic cell death / positive regulation of T cell mediated cytotoxicity / kinase binding / cytoplasmic side of plasma membrane / positive regulation of type II interferon production / positive regulation of tumor necrosis factor production / T cell differentiation in thymus / signaling receptor activity / cell body / protease binding / protein-containing complex assembly / regulation of apoptotic process / protein-macromolecule adaptor activity / defense response to virus / calmodulin binding / positive regulation of canonical NF-kappaB signal transduction / immune response / nuclear body / positive regulation of apoptotic process / membrane raft / innate immune response / external side of plasma membrane / apoptotic process / negative regulation of apoptotic process / protein-containing complex binding / cell surface / signal transduction / positive regulation of transcription by RNA polymerase II / extracellular exosome / identical protein binding / plasma membrane / cytosol / cytoplasm
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.73 Å

Authors

Schwarzenbacher, R. / Robinson, H. / Stec, B. / Riedl, S.J.

Citation

Journal: 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

Deposition	Oct 23, 2008	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Dec 23, 2008	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Jul 20, 2011	Group: Refinement description
Revision 1.3	Dec 27, 2023	Group: 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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3ezq.cif.gz	343.7 KB	Display	PDBx/mmCIF format
PDB format	pdb3ezq.ent.gz	284 KB	Display	PDB format
PDBx/mmJSON format	3ezq.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	3ezq_validation.pdf.gz	523.4 KB	Display	wwPDB validaton report
Full document	3ezq_full_validation.pdf.gz	554 KB	Display
Data in XML	3ezq_validation.xml.gz	36.1 KB	Display
Data in CIF	3ezq_validation.cif.gz	54 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ez/3ezq ftp://data.pdbj.org/pub/pdb/validation_reports/ez/3ezq	HTTPS FTP

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Related structure data

Similar structure data	3qcm-d 6mh9-d 6j9m-d 6ob0-2 5c01-d 6ob0-1 5d9h-d 2xhc-d 6oau-1 5owr-2 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#68 - Aug 2005 Neurotrophins similarity (10) #143 - Nov 2011 Toll-like Receptors similarity (2) #122 - Feb 2010 Enhanceosome similarity (5) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #213 - Sep 2017 Sirtuins similarity (1) #141 - Sep 2011 O-GlcNAc Transferase similarity (1) #56 - Aug 2004 Caspases similarity (3) #177 - Sep 2014 Apoptosomes similarity (1) #234 - Jun 2019 MDM2 and Cancer similarity (2) #60 - Dec 2004 Ubiquitin similarity (1) #221 - May 2018 Human Papillomavirus and Vaccines similarity (1) #224 - Aug 2018 Legumain similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#68 - Aug 2005
Neurotrophins
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Toll-like Receptors
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p53 Tumor Suppressor
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#213 - Sep 2017
Sirtuins
similarity (1)
#141 - Sep 2011
O-GlcNAc Transferase
similarity (1)
#56 - Aug 2004
Caspases
similarity (3)
#177 - Sep 2014
Apoptosomes
similarity (1)
#234 - Jun 2019
MDM2 and Cancer
similarity (2)
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Ubiquitin
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Legumain
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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

217 kDa, 16 polymers
Search similar-shape structures of this assembly by Omokage search (details)

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

defined by author&software
54.3 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

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

defined by author&software
54.4 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

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

defined by author&software
54.5 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

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

defined by author&software
54.4 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

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 number	169
Space group name H-M	P6₁

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: 1 / Refine code: 2

Dom-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	ASN	ASN	GLU	GLU	A	A	223 - 337	1 - 115
2	1	ASN	ASN	GLU	GLU	C	C	223 - 337	1 - 115
3	1	ASN	ASN	GLU	GLU	E	E	223 - 337	1 - 115
4	1	ASN	ASN	GLU	GLU	G	G	223 - 337	1 - 115
5	1	ASN	ASN	GLU	GLU	I	I	223 - 337	1 - 115
6	1	ASN	ASN	GLU	GLU	K	K	223 - 337	1 - 115
7	1	ASN	ASN	GLU	GLU	M	M	223 - 337	1 - 115
8	1	ASN	ASN	GLU	GLU	O	O	223 - 337	1 - 115
1	2	GLY	GLY	GLY	GLY	B	B	93 - 191	1 - 99
2	2	GLY	GLY	GLY	GLY	D	D	93 - 191	1 - 99
3	2	GLY	GLY	GLY	GLY	F	F	93 - 191	1 - 99
4	2	GLY	GLY	GLY	GLY	H	H	93 - 191	1 - 99
5	2	GLY	GLY	GLY	GLY	J	J	93 - 191	1 - 99
6	2	GLY	GLY	GLY	GLY	L	L	93 - 191	1 - 99
7	2	GLY	GLY	GLY	GLY	N	N	93 - 191	1 - 99
8	2	GLY	GLY	GLY	GLY	P	P	93 - 191	1 - 99

NCS ensembles :

ID
1
2

#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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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 3.18 Å³/Da / Density % sol: 61.37 %
Crystal grow	Temperature: 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

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: NSLS / Beamline: X25 / Wavelength: 1 Å
Detector	Date: Aug 30, 2007
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.73→30 Å / Num. obs: 66820 / % possible obs: 98.7 % / R_merge(I) obs: 0.076 / Net I/σ(I): 9.3
Reflection shell	Resolution: 2.731→2.801 Å / R_merge(I) obs: 0.435 / Mean I/σ(I) obs: 1.7 / % possible all: 88.4

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Processing

Software

Name	Version	Classification
ADSC	Quantum	data collection
SOLVE		phasing
REFMAC	5.2.0019	refinement
HKL-2000		data reduction
SCALA		data scaling

Refinement

Method to determine structure:

SAD / Resolution: 2.73→30 Å / Cor.coef. F_o:F_c: 0.954 / Cor.coef. F_o:F_c 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.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.278	3556	5.1 %	RANDOM
R_work	0.23388	-	-	-
obs	0.2361	66785	98.81 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 72.42 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.07 Å²	-0.53 Å²	0 Å²
2-	-	-1.07 Å²	0 Å²
3-	-	-	1.6 Å²

Refinement step

Cycle: LAST / Resolution: 2.73→30 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13688	0	68	177	13933

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.016	0.022	13856
X-RAY DIFFRACTION	r_bond_other_d	0.003	0.02	9408
X-RAY DIFFRACTION	r_angle_refined_deg	1.279	1.961	18672
X-RAY DIFFRACTION	r_angle_other_deg	0.947	3	23056
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.711	5	1696
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	42.388	25.506	712
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	19.69	15	2744
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.7	15	112
X-RAY DIFFRACTION	r_chiral_restr	0.074	0.2	2176
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.02	15264
X-RAY DIFFRACTION	r_gen_planes_other	0.004	0.02	2520
X-RAY DIFFRACTION	r_nbd_refined	0.23	0.2	3878
X-RAY DIFFRACTION	r_nbd_other	0.186	0.2	9556
X-RAY DIFFRACTION	r_nbtor_refined	0.185	0.2	6793
X-RAY DIFFRACTION	r_nbtor_other	0.089	0.2	7716
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.206	0.2	331
X-RAY DIFFRACTION	r_xyhbond_nbd_other	0.076	0.2	1
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.237	0.2	107
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.323	0.2	63
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.217	0.2	8
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0.618	4	8504
X-RAY DIFFRACTION	r_mcbond_other	0.172	4	3464
X-RAY DIFFRACTION	r_mcangle_it	1.291	6	13744
X-RAY DIFFRACTION	r_scbond_it	1.977	8	5489
X-RAY DIFFRACTION	r_scangle_it	3.145	12	4928
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION

Ens-ID	Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	1	A	685	tight positional	0.04	0.05
1	2	C	685	tight positional	0.04	0.05
1	3	E	685	tight positional	0.03	0.05
1	4	G	685	tight positional	0.05	0.05
1	5	I	685	tight positional	0.04	0.05
1	6	K	685	tight positional	0.04	0.05
1	7	M	685	tight positional	0.04	0.05
1	8	O	685	tight positional	0.04	0.05
2	1	B	588	tight positional	0.03	0.05
2	2	D	588	tight positional	0.02	0.05
2	3	F	588	tight positional	0.02	0.05
2	4	H	588	tight positional	0.03	0.05
2	5	J	588	tight positional	0.03	0.05
2	6	L	588	tight positional	0.02	0.05
2	7	N	588	tight positional	0.02	0.05
2	8	P	588	tight positional	0.03	0.05
1	1	A	846	medium positional	0.57	0.5
1	2	C	846	medium positional	0.58	0.5
1	3	E	846	medium positional	0.57	0.5
1	4	G	846	medium positional	0.58	0.5
1	5	I	846	medium positional	0.53	0.5
1	6	K	846	medium positional	0.57	0.5
1	7	M	846	medium positional	0.62	0.5
1	8	O	846	medium positional	0.6	0.5
2	1	B	769	medium positional	0.61	0.5
2	2	D	769	medium positional	0.54	0.5
2	3	F	769	medium positional	0.55	0.5
2	4	H	769	medium positional	0.6	0.5
2	5	J	769	medium positional	0.55	0.5
2	6	L	769	medium positional	0.57	0.5
2	7	N	769	medium positional	0.56	0.5
2	8	P	769	medium positional	0.59	0.5
1	1	A	685	tight thermal	0.07	0.5
1	2	C	685	tight thermal	0.07	0.5
1	3	E	685	tight thermal	0.07	0.5
1	4	G	685	tight thermal	0.07	0.5
1	5	I	685	tight thermal	0.08	0.5
1	6	K	685	tight thermal	0.07	0.5
1	7	M	685	tight thermal	0.06	0.5
1	8	O	685	tight thermal	0.07	0.5
2	1	B	588	tight thermal	0.05	0.5
2	2	D	588	tight thermal	0.04	0.5
2	3	F	588	tight thermal	0.05	0.5
2	4	H	588	tight thermal	0.05	0.5
2	5	J	588	tight thermal	0.06	0.5
2	6	L	588	tight thermal	0.05	0.5
2	7	N	588	tight thermal	0.04	0.5
2	8	P	588	tight thermal	0.04	0.5
1	1	A	846	medium thermal	0.49	2
1	2	C	846	medium thermal	0.48	2
1	3	E	846	medium thermal	0.48	2
1	4	G	846	medium thermal	0.63	2
1	5	I	846	medium thermal	0.57	2
1	6	K	846	medium thermal	0.47	2
1	7	M	846	medium thermal	0.47	2
1	8	O	846	medium thermal	0.41	2
2	1	B	769	medium thermal	0.32	2
2	2	D	769	medium thermal	0.31	2
2	3	F	769	medium thermal	0.32	2
2	4	H	769	medium thermal	0.39	2
2	5	J	769	medium thermal	0.36	2
2	6	L	769	medium thermal	0.38	2
2	7	N	769	medium thermal	0.32	2
2	8	P	769	medium thermal	0.3	2

LS refinement shell

Resolution: 2.731→2.801 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.387	224	-
R_work	0.378	4265	-
obs	-	-	85.77 %

Refinement TLS params.

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

ID	L11 (°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	5.2624	-4.2217	-2.7937	10.8237	3.9987	5.3928	0.0937	-0.5963	0.9736	1.1393	0.3385	-0.3514	-0.1379	-0.2898	-0.4322	-0.0889	-0.0029	0.155	-0.3383	-0.0836	-0.3784	-72.811	17.875	-36.453
2	4.7204	3.4388	1.3849	12.5284	5.759	5.2126	-0.0505	1.0713	-0.9785	-0.2355	0.1708	-0.3258	0.4465	-0.3666	-0.1203	-0.1557	-0.1998	0.0873	-0.0807	-0.2141	-0.3795	-71.162	-11.642	-63.433
3	3.1611	-3.4302	1.8571	11.378	-5.9517	4.2489	0.0491	-0.5467	-0.6229	0.1998	0.2885	0.4549	0.0887	0.0122	-0.3376	-0.1114	0.0014	-0.0113	-0.3052	0.1505	-0.4494	-54.959	-11.545	-35.842
4	2.6521	2.4587	-0.9385	9.0567	-3.7844	5.568	0.0093	0.3341	0.3578	-0.1169	-0.0842	-0.0181	-0.04	0.2775	0.0749	-0.4761	-0.0617	0.0267	-0.379	0.0784	-0.5325	-53.176	17.867	-62.753
5	9.1666	-1.4037	3.1067	2.1915	-0.7543	4.9571	0.0229	-0.0894	-0.2669	0.2743	-0.0626	-0.2743	-0.1791	0.235	0.0397	-0.4696	-0.0665	-0.0939	-0.3984	0.0278	-0.5209	-74.228	54.303	-55.913
6	6.2129	-5.1284	4.3382	8.1029	-4.7244	4.5248	-0.0061	0.2473	-0.0638	-0.4591	0.3118	0.7385	-0.0706	-0.0918	-0.3057	-0.29	0.0626	-0.1106	-0.1518	0.0952	-0.4595	-100.609	67.468	-82.842
7	13.034	-1.3289	-5.3001	3.1356	1.5136	5.099	0.5256	-0.6897	0.8126	0.6837	-0.3586	0.6597	0.0901	-0.5289	-0.167	-0.3117	-0.1539	0.1522	0.0574	-0.2118	-0.351	-108.781	53.459	-55.233
8	6.582	-4.8464	-1.9854	10.2996	4.2151	4.9101	0.5188	0.8316	-0.1745	-0.8735	-0.0459	-1.0448	0.2427	-0.0781	-0.4729	-0.2892	0.1017	-0.0078	-0.1631	-0.1746	-0.3804	-84.042	37.335	-82.186
9	14.1039	-5.8675	1.3601	7.9188	-0.0571	12.6885	-0.0834	0.2548	0.1935	0.2565	0.0298	2.0056	-1.3038	-3.2473	0.0535	-0.0585	0.3075	0.2812	0.564	-0.1052	0.3353	-91.863	22.473	-41.933
10	11.9573	7.2433	0.5229	10.72	-0.1304	7.1321	-0.0053	0.2282	0.2802	0.121	-0.1367	1.7131	0.6896	-1.4513	0.142	0.0409	-0.3793	0.2537	0.2471	-0.3648	0.2249	-90.85	-16.604	-60.53
11	5.9424	-4.5036	1.9881	16.7116	1.1179	9.5479	0.166	0.3777	0.1454	-0.2904	-0.7981	-1.5984	0.6779	2.205	0.6322	-0.1191	0.1683	0.1876	0.2398	0.1905	0.2486	-35.411	-16.87	-39.012
12	14.3025	5.53	-0.6548	7.6558	-0.7687	7.5948	0.0653	-0.2401	0.086	0.3739	-0.2239	-1.7253	-0.5898	1.8293	0.1587	-0.2976	-0.2581	-0.1467	0.19	0.2553	0.0221	-33.733	22.006	-57.862
13	15.2661	5.4088	0.6626	7.8814	-0.3051	7.9458	-0.2071	0.4819	1.534	-0.1357	-0.0449	-0.9843	-1.3364	1.5329	0.252	-0.1653	-0.3427	-0.1705	0.0282	0.2436	0.0228	-60.948	69.064	-60.847
14	9.7853	-5.7619	-1.4736	13.0048	-1.306	9.1379	-0.5349	0.2021	1.4511	0.7885	-0.1239	-1.0379	-2.1904	0.558	0.6587	0.2639	-0.0572	-0.311	-0.1138	-0.0215	0.2554	-95.365	87.052	-79.699
15	16.6493	4.4577	-0.4379	5.6893	-1.3706	7.8695	0.0749	0.2084	-1.6015	0.1697	-0.1056	0.6056	0.9825	-1.2592	0.0307	-0.1665	-0.2776	0.1612	0.3578	-0.3769	0.208	-122.941	38.898	-58.157
16	4.0666	-0.6653	-1.1524	20.344	-0.7938	11.1154	0.2148	0.1128	-1.9282	-0.1184	-0.3218	0.9653	3.1531	-0.3713	0.107	0.6394	-0.1027	-0.0617	-0.1512	-0.3004	0.3821	-89.573	18.473	-76.753
17	5.5587	-5.1952	-3.1275	13.8048	4.911	5.9929	0.0601	-0.683	0.991	1.2582	0.4048	-0.4725	-0.1387	-0.2487	-0.4649	-0.2148	0.0022	0.1407	-0.4209	-0.0723	-0.3004	-72.82	17.875	-36.461
18	4.9415	4.3948	1.5838	14.36	6.6758	6.0428	-0.1102	1.0386	-1.1018	-0.3216	0.2749	-0.2654	0.466	-0.3982	-0.1647	-0.2887	-0.2121	0.0383	-0.1771	-0.1897	-0.2003	-71.165	-11.642	-63.455
19	3.6036	-4.6554	2.2991	13.6676	-7.5187	5.2072	0.0476	-0.5876	-0.6901	0.2006	0.3086	0.5969	0.0468	-0.0469	-0.3562	-0.2452	-0.0092	-0.0203	-0.4062	0.1209	-0.3274	-54.959	-11.541	-35.845
20	3.1359	3.2779	-1.3562	10.8935	-4.6863	6.3143	-0.0089	0.401	0.3896	-0.1676	-0.0718	-0.0115	0.032	0.2495	0.0808	-0.6116	-0.0507	0.0307	-0.4894	0.073	-0.4599	-53.171	17.865	-62.767
21	11.737	-1.8098	4.1215	2.4794	-0.9291	5.6064	0.0322	-0.1519	-0.2851	0.3391	-0.0778	-0.2942	-0.1707	0.1739	0.0455	-0.57	-0.0748	-0.0878	-0.5436	0.0172	-0.4626	-74.225	54.305	-55.918
22	7.0207	-6.6131	5.465	10.0978	-5.8344	5.471	0.0068	0.2489	-0.1161	-0.5158	0.3093	0.8377	-0.0188	-0.0702	-0.3161	-0.4166	0.0326	-0.0842	-0.268	0.0891	-0.3436	-100.604	67.473	-82.855
23	15.7179	-1.8122	-6.4184	3.1765	1.9955	6.0528	0.5622	-0.8071	0.8626	0.6218	-0.3777	0.8016	0.1382	-0.5593	-0.1845	-0.4354	-0.1902	0.166	-0.0475	-0.1699	-0.1876	-108.771	53.46	-55.231
24	7.9482	-6.4019	-2.5584	12.1469	5.0383	5.5778	0.5381	0.9068	-0.1391	-0.9523	-0.051	-1.077	0.2071	-0.0661	-0.487	-0.4005	0.0759	-0.0115	-0.2701	-0.1656	-0.306	-84.048	37.333	-82.195
25	18.0683	-6.9986	0.3288	13.1289	-0.6331	15.18	0.0289	0.3934	0.4185	0.3912	0.1706	2.62	-1.446	-3.8706	-0.1994	-0.1874	0.35	0.2735	0.5759	-0.0834	0.4704	-91.892	22.43	-41.932
26	13.4752	8.2461	0.7538	10.4294	1.659	8.7035	0.0435	0.0762	0.3416	0.2842	-0.3063	1.7791	0.7231	-1.7064	0.2628	-0.1017	-0.4372	0.2082	0.1441	-0.319	0.4412	-90.845	-16.613	-60.525
27	17.095	-6.8429	3.3375	11.353	-2.3403	10.6378	0.1815	0.6161	0.3181	-0.7605	-0.0791	-2.8626	0.6704	2.6351	-0.1023	-0.0383	0.1771	0.2076	0.1793	0.332	0.1876	-35.416	-16.874	-39.011
28	16.5952	5.9712	-0.9597	9.3914	-1.3733	9.0998	0.0975	-0.2569	0.1989	0.4593	-0.2534	-2.0178	-0.7113	2.1341	0.156	-0.436	-0.2849	-0.1426	0.1238	0.2386	0.1612	-33.75	22.017	-57.868
29	17.6949	5.8513	1.3048	9.1023	-0.4256	9.696	-0.17	0.5083	1.7379	-0.1537	-0.0684	-1.1236	-1.5156	1.8203	0.2384	-0.2796	-0.3779	-0.1477	-0.0739	0.2225	0.1556	-60.957	69.048	-60.86
30	7.2902	-2.097	0.329	21.0007	-3.4751	10.2518	-0.1382	-0.4699	2.3552	0.7866	-0.0099	-1.6037	-2.4807	0.7606	0.148	0.2378	0.0093	-0.4305	-0.0917	0.0132	0.2026	-95.37	87.043	-79.711
31	18.7133	6.0038	-1.5401	7.0833	-1.0213	9.3282	0.0839	0.3556	-1.8569	0.1023	-0.1368	0.6494	1.1674	-1.4775	0.053	-0.316	-0.3126	0.1758	0.2831	-0.339	0.3652	-122.944	38.917	-58.162
32	6.6444	-0.8942	-1.3131	24.8565	-0.2297	13.6762	0.2408	0.1367	-2.4132	-0.0281	-0.297	1.035	3.8119	-0.5012	0.0563	0.6898	-0.1349	-0.0465	-0.2742	-0.2742	0.5288	-89.581	18.469	-76.757

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	223 - 337
2	X-RAY DIFFRACTION	2	C	223 - 337
3	X-RAY DIFFRACTION	3	E	223 - 337
4	X-RAY DIFFRACTION	4	G	223 - 337
5	X-RAY DIFFRACTION	5	I	223 - 337
6	X-RAY DIFFRACTION	6	K	223 - 337
7	X-RAY DIFFRACTION	7	M	223 - 337
8	X-RAY DIFFRACTION	8	O	223 - 337
9	X-RAY DIFFRACTION	9	B	93 - 191
10	X-RAY DIFFRACTION	10	D	93 - 191
11	X-RAY DIFFRACTION	11	F	93 - 191
12	X-RAY DIFFRACTION	12	H	93 - 191
13	X-RAY DIFFRACTION	13	J	93 - 191
14	X-RAY DIFFRACTION	14	L	93 - 191
15	X-RAY DIFFRACTION	15	N	93 - 191
16	X-RAY DIFFRACTION	16	P	93 - 191
17	X-RAY DIFFRACTION	17	A	223 - 337
18	X-RAY DIFFRACTION	18	C	223 - 337
19	X-RAY DIFFRACTION	19	E	223 - 337
20	X-RAY DIFFRACTION	20	G	223 - 337
21	X-RAY DIFFRACTION	21	I	223 - 337
22	X-RAY DIFFRACTION	22	K	223 - 337
23	X-RAY DIFFRACTION	23	M	223 - 337
24	X-RAY DIFFRACTION	24	O	223 - 337
25	X-RAY DIFFRACTION	25	B	93 - 191
26	X-RAY DIFFRACTION	26	D	93 - 191
27	X-RAY DIFFRACTION	27	F	93 - 191
28	X-RAY DIFFRACTION	28	H	93 - 191
29	X-RAY DIFFRACTION	29	J	93 - 191
30	X-RAY DIFFRACTION	30	L	93 - 191
31	X-RAY DIFFRACTION	31	N	93 - 191
32	X-RAY DIFFRACTION	32	P	93 - 191

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