PDB-5nkm: SMG8-SMG9 complex

ID or keywords:

Entry

Database: PDB / ID: 5nkm

Title

SMG8-SMG9 complex

Components

(Protein smg-8) x 2
(Protein smg-9) x 2

Keywords

RNA BINDING PROTEIN / SMG8-SMG9 complex NMD effector proteins

Function / homology

Function and homology information

Nonsense Mediated Decay (NMD) enhanced by the Exon Junction Complex (EJC) / striated muscle dense body / nuclear-transcribed mRNA catabolic process, nonsense-mediated decay / molecular sequestering activity / cytoplasm
Similarity search - Function

Biological species

Caenorhabditis elegans (invertebrata)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.493 Å

Authors

Li, L. / Basquin, J. / Conti, E.

Citation

Journal: RNA / Year: 2017
Title: Structure of a SMG8-SMG9 complex identifies a G-domain heterodimer in the NMD effector proteins.
Authors: Li, L. / Lingaraju, M. / Basquin, C. / Basquin, J. / Conti, E.

History

Deposition	Mar 31, 2017	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Apr 19, 2017	Provider: repository / Type: Initial release
Revision 1.1	Jun 28, 2017	Group: Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 2.0	Nov 15, 2023	Group: Atomic model / Data collection ...Atomic model / Data collection / Database references / Refinement description Category: atom_site / chem_comp_atom ...atom_site / chem_comp_atom / chem_comp_bond / database_2 / struct_ncs_dom_lim Item: _atom_site.Cartn_x / _atom_site.Cartn_y ..._atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_atom_id / _atom_site.label_atom_id / _atom_site.occupancy / _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
Revision 2.1	Oct 23, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5nkm.cif.gz	1 MB	Display	PDBx/mmCIF format
PDB format	pdb5nkm.ent.gz	892.2 KB	Display	PDB format
PDBx/mmJSON format	5nkm.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/nk/5nkm ftp://data.pdbj.org/pub/pdb/validation_reports/nk/5nkm	HTTPS FTP

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Related structure data

Related structure data	5nkkC C: citing same article (ref.)
Similar structure data	5nkk-1 6vdj-d 2e93-d 2e8u-d 4uun-d 2e94-d 2dh4-d 2z52-d 2e90-d 2z4w-d 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

Related structure data

5nkkC

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Protein smg-8

B: Protein smg-9

C: Protein smg-8

D: Protein smg-9

E: Protein smg-8

F: Protein smg-9

hetero molecules

260 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Protein smg-8

B: Protein smg-9

hetero molecules

defined by author&software
Evidence: gel filtration
87.7 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Protein smg-8

D: Protein smg-9

hetero molecules

defined by author&software
86.8 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

E: Protein smg-8

F: Protein smg-9

hetero molecules

defined by author&software
85.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	111.085, 111.085, 374.474
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	154
Space group name H-M	P3₂21

Components on special symmetry positions

ID	Model	Components
1	1	A-612- HOH

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	(chain B and (resid 59 through 82 or (resid 83...
2	1	(chain D and (resid 59 through 80 or (resid 81...
3	1	(chain F and (resid 59 through 80 or (resid 81...
1	2	(chain A and (resid 1 through 127 or (resid 128...
2	2	(chain C and (resid 1 through 7 or (resid 8...
3	2	(chain E and (resid 1 through 4 or (resid 5...

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	1	MSE	MSE	SER	SER	(chain B and (resid 59 through 82 or (resid 83...	B	B	59 - 82	1 - 24
1	2	1	SER	SER	SER	SER	(chain B and (resid 59 through 82 or (resid 83...	B	B	83	25
1	3	1	MSE	MSE	ASP	ASP	(chain B and (resid 59 through 82 or (resid 83...	B	B	59 - 364	1 - 306
1	4	1	MSE	MSE	ASP	ASP	(chain B and (resid 59 through 82 or (resid 83...	B	B	59 - 364	1 - 306
1	5	1	MSE	MSE	ASP	ASP	(chain B and (resid 59 through 82 or (resid 83...	B	B	59 - 364	1 - 306
1	6	1	MSE	MSE	ASP	ASP	(chain B and (resid 59 through 82 or (resid 83...	B	B	59 - 364	1 - 306
2	1	1	MSE	MSE	LEU	LEU	(chain D and (resid 59 through 80 or (resid 81...	D	D	59 - 80	1 - 22
2	2	1	THR	THR	THR	THR	(chain D and (resid 59 through 80 or (resid 81...	D	D	81	23
2	3	1	MSE	MSE	THR	THR	(chain D and (resid 59 through 80 or (resid 81...	D	D	59 - 363	1 - 305
2	4	1	MSE	MSE	THR	THR	(chain D and (resid 59 through 80 or (resid 81...	D	D	59 - 363	1 - 305
2	5	1	MSE	MSE	THR	THR	(chain D and (resid 59 through 80 or (resid 81...	D	D	59 - 363	1 - 305
2	6	1	MSE	MSE	THR	THR	(chain D and (resid 59 through 80 or (resid 81...	D	D	59 - 363	1 - 305
3	1	1	MSE	MSE	LEU	LEU	(chain F and (resid 59 through 80 or (resid 81...	F	F	59 - 80	1 - 22
3	2	1	THR	THR	THR	THR	(chain F and (resid 59 through 80 or (resid 81...	F	F	81	23
3	3	1	MSE	MSE	THR	THR	(chain F and (resid 59 through 80 or (resid 81...	F	F	59 - 363	1 - 305
3	4	1	MSE	MSE	THR	THR	(chain F and (resid 59 through 80 or (resid 81...	F	F	59 - 363	1 - 305
3	5	1	MSE	MSE	THR	THR	(chain F and (resid 59 through 80 or (resid 81...	F	F	59 - 363	1 - 305
3	6	1	MSE	MSE	THR	THR	(chain F and (resid 59 through 80 or (resid 81...	F	F	59 - 363	1 - 305
1	1	2	MSE	MSE	GLU	GLU	(chain A and (resid 1 through 127 or (resid 128...	A	A	1 - 127	1 - 127
1	2	2	GLN	GLN	GLN	GLN	(chain A and (resid 1 through 127 or (resid 128...	A	A	128	128
1	3	2	MSE	MSE	SER	SER	(chain A and (resid 1 through 127 or (resid 128...	A	A	1 - 420	1 - 420
1	4	2	MSE	MSE	SER	SER	(chain A and (resid 1 through 127 or (resid 128...	A	A	1 - 420	1 - 420
1	5	2	MSE	MSE	SER	SER	(chain A and (resid 1 through 127 or (resid 128...	A	A	1 - 420	1 - 420
1	6	2	MSE	MSE	SER	SER	(chain A and (resid 1 through 127 or (resid 128...	A	A	1 - 420	1 - 420
2	1	2	MSE	MSE	VAL	VAL	(chain C and (resid 1 through 7 or (resid 8...	C	C	1 - 7	1 - 7
2	2	2	GLU	GLU	GLU	GLU	(chain C and (resid 1 through 7 or (resid 8...	C	C	8	8
2	3	2	MSE	MSE	SER	SER	(chain C and (resid 1 through 7 or (resid 8...	C	C	1 - 420	1 - 420
2	4	2	MSE	MSE	SER	SER	(chain C and (resid 1 through 7 or (resid 8...	C	C	1 - 420	1 - 420
2	5	2	MSE	MSE	SER	SER	(chain C and (resid 1 through 7 or (resid 8...	C	C	1 - 420	1 - 420
2	6	2	MSE	MSE	SER	SER	(chain C and (resid 1 through 7 or (resid 8...	C	C	1 - 420	1 - 420
3	1	2	MSE	MSE	ALA	ALA	(chain E and (resid 1 through 4 or (resid 5...	E	E	1 - 4	1 - 4
3	2	2	LYS	LYS	LYS	LYS	(chain E and (resid 1 through 4 or (resid 5...	E	E	5	5
3	3	2	MSE	MSE	GLN	GLN	(chain E and (resid 1 through 4 or (resid 5...	E	E	1 - 419	1 - 419
3	4	2	MSE	MSE	GLN	GLN	(chain E and (resid 1 through 4 or (resid 5...	E	E	1 - 419	1 - 419
3	5	2	MSE	MSE	GLN	GLN	(chain E and (resid 1 through 4 or (resid 5...	E	E	1 - 419	1 - 419
3	6	2	MSE	MSE	GLN	GLN	(chain E and (resid 1 through 4 or (resid 5...	E	E	1 - 419	1 - 419

NCS ensembles :

ID
1
2

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Protein , 4 types, 6 molecules ACBDFE

#1: Protein	Protein smg-8 / Suppressor with morphogenetic effect on genitalia protein 8 Mass: 50393.395 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Caenorhabditis elegans (invertebrata) / Gene: smg-8, K04B12.3 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: O62301
#2: Protein	Protein smg-9 / Suppressor with morphogenetic effect on genitalia protein 9 Mass: 37231.883 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Caenorhabditis elegans (invertebrata) / Gene: smg-9, Y54E2A.2 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: Q9XWJ1
#3: Protein	Protein smg-9 / Suppressor with morphogenetic effect on genitalia protein 9 Mass: 35845.445 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Caenorhabditis elegans (invertebrata) / Gene: smg-9, Y54E2A.2 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: Q9XWJ1
#4: Protein	Protein smg-8 / Suppressor with morphogenetic effect on genitalia protein 8 Mass: 49027.074 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Caenorhabditis elegans (invertebrata) / Gene: smg-8, K04B12.3 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: O62301

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Non-polymers , 4 types, 185 molecules

#5: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C₂H₆O₂
#6: Chemical	ChemComp-TRS / 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / TRIS BUFFER Mass: 122.143 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₄H₁₂NO₃ / Comment: pH buffer*YM
#7: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER Mass: 106.120 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#8: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 170 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.07 Å³/Da / Density % sol: 59.96 %
Crystal grow	Temperature: 285 K / Method: vapor diffusion, hanging drop / pH: 8.5 / Details: 10% PEG3350, 0.1M Tris pH 8.5

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 0.979 Å
Detector	Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: May 27, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 2.493→52.36 Å / Num. obs: 188934 / % possible obs: 98 % / Redundancy: 39 % / R_merge(I) obs: 0.1374 / Net I/σ(I): 27.25
Reflection shell	Resolution: 2.493→2.583 Å / R_merge(I) obs: 2.587

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Processing

Software

Name	Version	Classification
PHENIX	1.11.1_2575	refinement
PDB_EXTRACT	3.22	data extraction
XDS		data reduction
XDS		data scaling
SHELXD		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.493→62.412 Å / SU ML: 0.37 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 32.41

	R_factor	Num. reflection	% reflection
R_free	0.2602	8972	4.99 %
R_work	0.2247	-	-
obs	0.2264	179816	99.76 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Displacement parameters

B_iso max: 264.81 Å² / B_iso mean: 96.4963 Å² / B_iso min: 49.12 Å²

Refinement step

Cycle: final / Resolution: 2.493→62.412 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	14115	0	184	170	14469
B_iso mean	-	-	115.86	75.87	-
Num. residues	-	-	-	-	1824

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	14373
X-RAY DIFFRACTION	f_angle_d	0.568	19433
X-RAY DIFFRACTION	f_chiral_restr	0.04	2308
X-RAY DIFFRACTION	f_plane_restr	0.004	2500
X-RAY DIFFRACTION	f_dihedral_angle_d	13.255	8762

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Rms	Type
1	1	B	4224	X-RAY DIFFRACTION	9.595	TORSIONAL
1	2	D	4224	X-RAY DIFFRACTION	9.595	TORSIONAL
1	3	F	4224	X-RAY DIFFRACTION	9.595	TORSIONAL
2	1	A	5583	X-RAY DIFFRACTION	9.595	TORSIONAL
2	2	C	5583	X-RAY DIFFRACTION	9.595	TORSIONAL
2	3	E	5583	X-RAY DIFFRACTION	9.595	TORSIONAL

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 30

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.4934-2.5218	0.492	317	0.4351	5383	5700	94
2.5218-2.5514	0.396	306	0.3868	5633	5939	100
2.5514-2.5826	0.3386	316	0.3602	5781	6097	100
2.5826-2.6153	0.4154	272	0.3563	5635	5907	100
2.6153-2.6497	0.3435	262	0.3421	5806	6068	100
2.6497-2.686	0.3567	294	0.3343	5621	5915	100
2.686-2.7243	0.3213	306	0.3239	5716	6022	100
2.7243-2.765	0.3514	341	0.3294	5684	6025	100
2.765-2.8082	0.3348	332	0.3124	5637	5969	100
2.8082-2.8542	0.3268	314	0.3061	5762	6076	100
2.8542-2.9035	0.3721	234	0.2913	5791	6025	100
2.9035-2.9563	0.3363	257	0.2954	5669	5926	100
2.9563-3.0131	0.3127	302	0.2789	5784	6086	100
3.0131-3.0746	0.284	304	0.2712	5668	5972	100
3.0746-3.1415	0.3034	300	0.2708	5694	5994	100
3.1415-3.2145	0.2654	298	0.2624	5669	5967	100
3.2145-3.2949	0.277	304	0.2513	5697	6001	100
3.2949-3.384	0.2824	296	0.2544	5781	6077	100
3.384-3.4836	0.2903	274	0.2465	5738	6012	100
3.4836-3.596	0.2612	314	0.2304	5673	5987	100
3.596-3.7245	0.2588	300	0.2177	5712	6012	100
3.7245-3.8736	0.237	318	0.1986	5644	5962	100
3.8736-4.0499	0.2311	352	0.1951	5631	5983	100
4.0499-4.2634	0.2191	330	0.1871	5738	6068	100
4.2634-4.5304	0.2234	268	0.1667	5709	5977	100
4.5304-4.8801	0.2026	334	0.1685	5686	6020	100
4.8801-5.3709	0.2156	306	0.1891	5710	6016	100
5.3709-6.1475	0.2589	251	0.2187	5764	6015	100
6.1475-7.7429	0.2547	301	0.2162	5706	6007	100
7.7429-62.4319	0.2373	269	0.1911	5722	5991	100

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	8.0646	0.8942	-2.1804	3.3311	4.8373	8.5663	0.9057	-1.6822	1.9947	0.7933	0.5667	-2.5854	-0.4496	1.8837	-1.2738	0.7685	-0.1358	-0.2011	0.692	-0.1992	1.6622	100.6302	196.5642	421.3497
2	5.6357	-3.0033	-0.4372	5.8507	-0.0939	1.9494	-0.0178	0.044	0.8172	-0.0785	-0.0346	-1.251	-0.4429	0.3064	0.0155	0.6707	-0.0831	0.0154	0.6238	0.0862	0.943	99.8085	193.6927	412.6272
3	3.1541	-2.9468	-4.002	2.7898	3.6107	8.0077	-0.303	0.1391	0.7299	0.5225	0.1436	-0.8256	0.2758	0.456	0.3139	0.6015	0.0285	-0.0776	0.7083	0.0041	0.8833	102.4455	171.6276	420.7473
4	6.8286	0.6353	0.8562	8.3176	-1.6022	2.397	-0.0273	0.2068	0.7051	-0.2234	-0.1012	-0.4738	0.2556	0.6227	0.0921	0.6132	0.0708	0.1074	0.6328	0.0899	0.65	89.9864	185.8831	411.4945
5	1.8252	-1.2901	-0.284	4.464	0.2679	6.593	-0.0903	-0.1688	-0.1259	0.4785	0.0581	0.9302	-0.2132	0.0519	0.0005	0.5251	-0.0332	0.0941	0.633	0.0157	0.8299	81.811	187.8307	420.3169
6	9.2445	-0.5213	3.6449	7.9157	-2.651	2.1938	0.4908	0.3142	0.6032	-1.2648	-0.3475	0.5024	0.7366	-1.3104	0.0587	1.0082	-0.0516	-0.0032	1.2461	-0.104	0.998	83.3114	183.3283	393.4271
7	2.4884	-0.9397	1.2981	1.8914	0.26	3.175	-0.046	0.1177	0.359	-0.0067	-0.0446	0.1324	-0.3703	0.0086	0.1336	0.6102	-0.0037	0.1066	0.6241	0.058	0.8031	84.7553	190.8435	412.1427
8	4.5113	-3.7029	3.3177	5.727	-5.4885	5.2216	-0.0294	-0.9875	-0.2444	0.6303	0.5862	1.1522	0.2779	-0.045	-0.485	0.8653	0.0669	0.0224	0.8446	0.1883	0.5995	97.4957	152.8172	428.5623
9	8.7982	4.0567	2.769	5.4337	0.5744	8.1728	1.2195	-0.7468	-0.8971	1.1584	-0.3447	-1.0893	0.9938	0.068	-0.8369	0.9054	0.0521	-0.1519	0.8615	0.1859	0.816	105.5002	149.9783	427.204
10	0.7398	1.405	-1.5179	4.3926	-2.3273	3.2892	-0.6426	-0.4056	0.1189	0.8767	0.6085	0.0821	-0.3613	-0.4194	-0.2205	1.91	-0.5189	-0.5213	2.1323	0.7263	0.8241	103.6895	142.8782	440.6336
11	4.6039	5.3318	-4.7287	6.1786	-5.4519	4.8862	-0.3197	1.0561	-0.4676	-1.0265	-0.0021	-0.5084	2.1714	-0.816	0.5466	0.8139	-0.0267	0.0673	0.8548	-0.1549	0.8362	93.7466	147.5236	390.1926
12	1.988	0.3332	-0.3586	2.4628	-0.6668	1.2752	0.1172	0.4922	0.089	-0.2446	0.1637	-0.3816	0.5351	0.1069	-0.1413	0.6806	0.0331	0.006	0.697	-0.2532	1.1547	93.9126	140.8491	396.7455
13	1.5649	-2.256	2.543	4.8054	-2.3383	7.211	-0.1816	0.8418	-0.0007	-0.4903	0.008	-0.777	0.0516	0.4816	0.1712	0.5408	-0.0328	0.1769	0.8732	0.0501	0.7232	101.9956	157.1964	389.5318
14	9.3282	-0.5308	-0.4103	5.4704	0.8732	5.9867	-0.1441	0.4048	-0.5685	-0.4073	0.1208	0.2235	-0.1819	0.8053	-0.073	0.6257	-0.0701	0.0214	0.8344	-0.037	0.8132	95.9897	153.385	393.2517
15	3.9201	3.4914	-1.8535	8.4224	-2.5436	4.0369	0.0784	0.1991	-0.0745	0.0066	-0.1292	-0.2785	0.1651	-0.0472	0.0501	0.3962	0.0469	-0.0192	0.6699	0.0012	0.5001	100.8534	158.4546	406.5789
16	8.69	5.0347	-0.7912	5.8707	-3.6493	8.5634	-0.0856	0.6129	-0.0608	0.2493	0.6892	-0.6797	-0.3375	0.3795	-0.559	0.6266	0.0468	-0.0051	0.772	0.0887	0.9488	113.7033	175.22	402.2659
17	4.6958	-0.7304	0.7754	3.2854	-1.6351	6.7195	0.177	0.1343	-0.0526	-0.1293	-0.2462	-1.1408	-0.0578	1.0059	0.1916	0.5377	0.0924	0.0906	0.7073	0.0582	0.9667	111.0812	164.9524	403.7883
18	3.5838	-2.9966	-3.9907	3.516	4.1337	5.8607	0.3824	2.1298	-0.1449	-2.3376	-1.0653	-1.1833	0.0217	0.7657	0.2217	0.9368	0.1994	0.214	1.4332	-0.0879	0.8482	112.501	159.6323	389.1354
19	3.3967	-0.4618	-1.2588	6.7502	1.345	4.9867	-0.0227	0.1671	-0.7227	-0.3843	-0.0362	-0.3379	0.413	0.3709	0.0346	0.5238	0.0356	-0.0379	0.5796	-0.0139	0.9139	100.731	144.6257	408.0397
20	6.8832	-1.4687	4.6531	2.3273	-1.7681	3.5515	0.6271	-0.3167	2.0655	-0.3815	-0.1905	-1.3661	-0.9751	-1.1223	-0.3048	0.9723	-0.0005	0.1531	1.1682	0.1512	1.9009	85.3529	162.3669	419.1383
21	8.4339	1.913	1.1614	3.901	0.4978	1.9296	0.2001	0.0157	-1.2672	-0.0173	0.0992	-0.3329	0.2591	0.1539	-0.3657	0.6167	0.1126	-0.0107	0.4617	-0.1239	0.7924	69.6149	123.6651	405.5877
22	4.1982	-4.2437	-1.4844	4.337	2.0126	5.9316	-0.4052	-0.0884	-2.7584	0.5772	0.1335	1.5586	0.8124	-0.2512	0.1063	0.6866	0.079	0.0893	0.6413	0.1033	1.1627	44.9713	127.0148	413.9481
23	8.4334	-1.2738	-2.3613	6.2024	-1.972	1.8306	-0.2405	-0.0975	-0.1352	0.1692	0.2437	0.4959	0.2	-0.4811	0.039	0.5696	0.0853	-0.0556	0.522	-0.1396	0.4611	62.2922	138.4461	408.1219
24	3.5157	0.7582	0.5021	1.4576	-0.6079	6.8238	-0.0267	-0.6193	0.1482	0.4613	0.1428	-0.522	-0.0871	0.2228	-0.1162	0.6717	0.1337	-0.0748	0.6563	-0.1405	0.8202	75.6249	141.0865	416.2759
25	3.1429	-0.8553	-0.1719	0.7861	-1.9232	7.081	0.3255	1.4356	-0.1649	0.0058	0.1735	-1.2346	-0.9718	-0.7957	-0.7065	0.7557	-0.0263	0.0176	0.859	0.1085	0.7803	65.3475	145.3505	389.6864
26	4.7384	-0.5346	0.5516	4.0845	-0.8663	3.0672	-0.146	0.0217	0.1172	0.0323	0.216	-0.4308	-0.09	0.0056	-0.0997	0.5816	0.0297	-0.01	0.5403	-0.1559	0.591	72.4221	138.3324	406.1325
27	1.2063	0.5677	-0.9118	3.6957	2.3034	2.8608	0.0474	-1.5018	0.3401	1.0154	0.9075	-0.2554	-0.7702	-0.3647	-0.2297	1.1185	0.4464	0.6908	1.3313	0.3512	0.6269	33.2019	143.2907	424.5675
28	3.3111	2.9768	1.7298	3.0119	2.5648	3.899	-0.0739	-0.6077	0.3154	0.7094	-0.8231	1.2135	-0.1567	-2.3707	0.3563	1.1177	0.4491	1.0836	1.7182	0.4898	1.8871	17.2145	140.6057	424.2406
29	7.2713	-3.419	2.5688	3.6657	2.6094	7.963	0.1628	-2.1984	-0.9855	1.8378	1.0986	2.5336	0.4362	-1.1335	-0.9602	0.9876	0.0138	0.3765	1.0597	0.3671	1.4043	29.2768	137.1656	419.2416
30	4.7394	2.9983	5.0035	4.5942	6.5193	9.4495	-0.9106	-1.7792	-1.3591	0.896	-1.636	-0.7141	2.1809	-0.9095	2.0215	1.8445	0.4086	0.5105	1.6521	0.5057	1.1388	23.5429	138.0675	433.6554
31	8.0017	0.5179	-0.2325	7.0986	3.0788	8.53	0.1641	0.538	-0.4488	-1.3097	-0.4454	1.1246	-0.2331	-0.5148	0.1999	0.7176	0.1347	-0.1914	0.723	-0.0061	0.8916	28.3029	156.4268	392.195
32	3.7457	-1.5375	-4.9359	5.4243	0.1255	9.0226	-0.3388	1.5985	-0.392	-1.2224	-0	0.8486	0.4947	-0.6959	0.3095	0.7525	0.0066	-0.1695	0.7882	-0.2167	0.7949	32.5914	141.915	388.7292
33	2.0022	6.8379	2.4299	6.3758	4.3069	4.5982	0.041	2.8525	-1.0223	-3.7699	2.4089	0.8957	1.9896	0.5066	-2.0808	2.4172	0.3859	-0.6094	1.3569	-0.2405	1.2842	37.9219	145.0691	374.5828
34	2.9303	0.2164	0.3474	2.8953	1.0731	3.4288	0.0792	0.5072	-0.1451	-1.3384	-0.2186	0.5849	-0.2074	-0.253	0.0088	0.8731	0.0628	-0.1351	0.6321	-0.0823	0.7603	34.4209	149.8621	390.6865
35	6.1533	0.0502	0.6737	4.3642	-4.3367	4.701	-0.8759	0.0767	-0.5171	-0.5471	-0.4512	-0.506	-2.8264	0.8616	1.4089	1.3097	0.0523	-0.2394	0.9441	0.0679	0.885	50.0481	151.1718	404.2112
36	2.9448	-2.1784	1.54	9.0799	-0.547	4.7288	0.0784	-0.141	-0.6087	0.1346	-0.0608	0.4284	0.0681	0.0795	0.0466	0.4798	-0.0634	0.0082	0.4792	-0.0035	0.5789	38.2286	141.2741	403.3231
37	4.6143	-2.6424	-1.8206	5.6855	1.9815	4.5941	0.0771	0.2515	-1.437	-0.3298	-0.1239	1.4549	0.0334	-0.1312	0.1665	0.5794	-0.0704	-0.1346	0.5925	-0.1043	1.1399	35.919	130.4872	398.7074
38	5.1866	2.8601	2.005	3.1358	-0.6555	2.9375	1.3499	0.6479	-1.2263	-1.1931	-0.9121	0.5245	1.4552	-1.1359	-0.1049	1.4582	0.1491	-0.4008	1.1385	-0.1619	1.1973	31.4028	131.4157	382.6019
39	4.7057	2.2484	-1.0019	6.8804	4.6678	4.5427	-0.0654	0.4813	-1.3358	-0.0142	-0.5517	1.9579	0.1579	-0.8992	0.5499	0.6252	0.042	-0.0745	0.792	-0.0253	1.4948	21.3381	145.762	402.352
40	3.7285	1.9179	3.7943	9.3313	3.8874	4.3135	0.3365	0.0565	-0.9049	0.2118	0.9283	-2.3096	0.2359	0.1854	-1.277	0.8182	0.1467	-0.0832	0.8343	-0.0274	1.0445	41.7328	149.9251	414.3332
41	6.3523	0.7951	0.8602	8.8833	0.1404	1.7932	-0.0019	0.0399	0.4842	0.2283	-0.0776	0.9097	-0.1042	-0.4546	0.0621	0.4356	0.1245	0.0022	0.61	0.0446	0.6762	20.8155	183.5236	407.9236
42	8.4976	7.8865	2.7641	9.6978	3.9489	3.493	0.0147	0.0585	0.1836	0.2	0.2194	0.3691	-0.1927	-0.2905	-0.1949	0.5949	0.0889	0.047	0.6617	0.1231	0.7485	27.2514	189.8737	410.4214
43	5.3022	4.5306	2.4975	4.2356	2.9642	2.8524	-0.0183	-0.3348	0.3362	-0.028	-0.2407	0.4826	-0.2982	-0.1783	0.2993	0.5634	0.111	-0.0232	0.587	0.0346	0.5583	35.5375	187.9881	414.7307
44	2.6927	0.6568	-1.1777	4.2674	-0.5177	2.8718	0.0205	-0.3229	-0.4217	0.3125	-0	-0.3873	0.0601	-0.0535	-0.0095	0.5678	0.0326	-0.0894	0.6447	0.1031	0.7009	36.8557	173.0657	414.6664
45	5.7036	0.5832	1.992	5.3466	-0.3504	2.8226	-0.6456	2.2166	1.6101	-0.9816	1.0981	0.0101	0.0672	0.0267	-0.4016	1.7542	-0.0108	-0.1247	1.1004	0.0987	1.12	38.0014	185.4276	384.6868
46	6.8277	0.5384	3.2412	5.6477	0.0776	6.0341	-0.0207	0.7122	-0.0409	-0.8145	0.0733	-0.5255	-0.0818	0.3828	0.0042	0.5644	0.0649	0.1291	0.5496	0.0123	0.5522	39.0152	174.9828	397.751
47	7.4703	3.9609	3.5017	4.488	4.0208	8.9663	0.1019	-0.4575	-0.0393	0.5941	0.0476	1.1095	0.3229	-0.3742	-0.1289	0.5909	0.0675	-0.0126	0.6617	0.1491	0.6592	25.124	174.0292	419.2546
48	7.276	4.1768	3.371	2.9894	2.5914	2.266	0.4414	-0.4878	-0.258	0.9292	-0.3056	0.5543	0.0444	-0.2919	-0.3799	1.0899	0.032	-0.1763	0.8119	0.0385	0.6568	55.5511	202.4723	432.5111
49	7.3374	-1.3468	-0.1901	6.4089	-2.9235	6.0634	0.6535	-1.5968	0.4253	1.5173	-0.135	-0.4802	-1.2466	-0.2583	-0.5799	1.3553	-0.0923	-0.049	1.0909	-0.1617	0.6672	54.8325	211.5207	432.138
50	9.3685	3.274	1.2441	4.9102	-3.0695	3.4223	0.0971	1.3427	-2.139	-3.2542	-1.5622	-0.0643	4.453	2.1099	1.2218	2.0248	0.4969	-0.1917	1.4816	-0.4327	1.0769	57.4833	212.1849	446.3383
51	7.7405	-2.2758	2.8755	4.3594	-5.5301	6.9127	-0.4465	0.8443	0.4987	-0.1643	-0.0946	-0.4539	-0.4874	0.4316	0.8066	0.6981	0.0471	0.0777	0.7754	0.1987	0.9147	69.9606	204.0047	399.7936
52	2.7623	-2.3692	-1.1078	3.0759	3.5364	6.9768	-0.3701	0.9041	1.6018	0.1143	-0.3472	-0.2932	-1.2086	0.8106	0.5734	0.802	-0.1748	-0.082	0.7116	0.2886	1.5553	72.505	214.7492	402.4142
53	5.686	1.6869	1.2076	1.7136	2.8183	7.9853	-0.2502	0.7911	0.4524	-0.404	-0.1185	0.0227	-0.8117	0.154	0.5434	0.6674	0.0258	-0.1147	0.6861	0.2225	0.7839	59.1452	208.3655	395.1402
54	1.5697	0.0395	-0.3331	5.6475	-4.911	7.6883	0.4512	0.1959	-2.9343	0.7913	-0.8103	-0.1223	2.0193	-0.1607	0.4574	1.4153	0.1662	-0.2153	0.8671	-0.1317	1.2808	55.7492	193.3775	404.9792
55	4.5876	1.8643	1.7799	3.2286	0.7051	5.1336	-0.3189	0.0152	0.46	0.1067	0.0448	-0.0528	-0.3963	0.0441	0.4104	0.6622	0.0747	-0.0776	0.4815	0.0206	0.7229	50.1127	206.1778	408.8433
56	2.7013	3.084	-0.0749	6.4747	3.2402	3.9375	-0.2406	-0.013	1.7302	0.139	0.0206	0.4571	-0.4596	-0.4356	0.3265	0.7418	0.0897	-0.1117	0.5681	-0.069	1.0479	41.5545	211.6088	411.7377
57	8.5066	3.7525	-1.8945	7.01	-3.0173	1.3291	-0.7515	1.4201	1.0559	-0.8381	0.7979	0.5703	0.3016	-0.039	-0.05	1.0732	-0.0918	-0.1538	0.8516	0.3454	0.8702	46.2809	215.083	394.208
58	8.8089	-2.8421	-2.4847	7.1044	1.6144	3.3471	-0.3947	-0.4166	2.1237	0.0472	0.5999	-0.4279	-1.1375	0.1483	-0.1963	1.0371	0.0269	-0.1109	0.7351	0.0653	1.5152	63.782	220.8802	410.9632
59	9.7709	-0.4854	-0.8119	7.7037	-5.243	3.8092	0.2467	0.1861	-0.1927	0.6418	-0.2729	-0.3462	0.3515	1.828	0.2375	0.9043	0.1189	-0.192	0.7553	-0.1106	1.1801	67.4776	206.4809	416.5038
60	3.331	4.8351	-3.8254	7.2513	-5.8349	4.7287	1.4189	0.3242	-1.167	-1.6833	-0.7629	3.61	1.5047	0.8697	-0.8306	0.9194	0.1363	-0.3268	0.7895	-0.0776	1.5068	56.4472	192.0732	420.1106

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	(chain A and resid 1:6)	A	1 - 6
2	X-RAY DIFFRACTION	2	(chain A and resid 7:92)	A	7 - 92
3	X-RAY DIFFRACTION	3	(chain A and resid 93:109)	A	93 - 109
4	X-RAY DIFFRACTION	4	(chain A and resid 110:133)	A	110 - 133
5	X-RAY DIFFRACTION	5	(chain A and resid 134:191)	A	134 - 191
6	X-RAY DIFFRACTION	6	(chain A and resid 192:221)	A	192 - 221
7	X-RAY DIFFRACTION	7	(chain A and resid 222:329)	A	222 - 329
8	X-RAY DIFFRACTION	8	(chain A and resid 330:388)	A	330 - 388
9	X-RAY DIFFRACTION	9	(chain A and resid 389:413)	A	389 - 413
10	X-RAY DIFFRACTION	10	(chain A and resid 414:420)	A	414 - 420
11	X-RAY DIFFRACTION	11	(chain B and resid 59:66)	B	59 - 66
12	X-RAY DIFFRACTION	12	(chain B and resid 67:84)	B	67 - 84
13	X-RAY DIFFRACTION	13	(chain B and resid 85:117)	B	85 - 117
14	X-RAY DIFFRACTION	14	(chain B and resid 118:155)	B	118 - 155
15	X-RAY DIFFRACTION	15	(chain B and resid 172:247)	B	172 - 247
16	X-RAY DIFFRACTION	16	(chain B and resid 248:257)	B	248 - 257
17	X-RAY DIFFRACTION	17	(chain B and resid 258:307)	B	258 - 307
18	X-RAY DIFFRACTION	18	(chain B and resid 308:320)	B	308 - 320
19	X-RAY DIFFRACTION	19	(chain B and resid 321:358)	B	321 - 358
20	X-RAY DIFFRACTION	20	(chain B and resid 359:364)	B	359 - 364
21	X-RAY DIFFRACTION	21	(chain C and resid 1:86)	C	1 - 86
22	X-RAY DIFFRACTION	22	(chain C and resid 87:105)	C	87 - 105
23	X-RAY DIFFRACTION	23	(chain C and resid 106:148)	C	106 - 148
24	X-RAY DIFFRACTION	24	(chain C and resid 149:191)	C	149 - 191
25	X-RAY DIFFRACTION	25	(chain C and resid 192:222)	C	192 - 222
26	X-RAY DIFFRACTION	26	(chain C and resid 223:329)	C	223 - 329
27	X-RAY DIFFRACTION	27	(chain C and resid 330:384)	C	330 - 384
28	X-RAY DIFFRACTION	28	(chain C and resid 385:393)	C	385 - 393
29	X-RAY DIFFRACTION	29	(chain C and resid 394:406)	C	394 - 406
30	X-RAY DIFFRACTION	30	(chain C and resid 407:420)	C	407 - 420
31	X-RAY DIFFRACTION	31	(chain D and resid 59:81)	D	59 - 81
32	X-RAY DIFFRACTION	32	(chain D and resid 82:109)	D	82 - 109
33	X-RAY DIFFRACTION	33	(chain D and resid 110:118)	D	110 - 118
34	X-RAY DIFFRACTION	34	(chain D and resid 119:154)	D	119 - 154
35	X-RAY DIFFRACTION	35	(chain D and resid 155:174)	D	155 - 174
36	X-RAY DIFFRACTION	36	(chain D and resid 175:219)	D	175 - 219
37	X-RAY DIFFRACTION	37	(chain D and resid 220:284)	D	220 - 284
38	X-RAY DIFFRACTION	38	(chain D and resid 305:320)	D	305 - 320
39	X-RAY DIFFRACTION	39	(chain D and resid 321:351)	D	321 - 351
40	X-RAY DIFFRACTION	40	(chain D and resid 352:363)	D	352 - 363
41	X-RAY DIFFRACTION	41	(chain E and resid 1:67)	E	1 - 67
42	X-RAY DIFFRACTION	42	(chain E and resid 68:92)	E	68 - 92
43	X-RAY DIFFRACTION	43	(chain E and resid 93:129)	E	93 - 129
44	X-RAY DIFFRACTION	44	(chain E and resid 130:191)	E	130 - 191
45	X-RAY DIFFRACTION	45	(chain E and resid 192:207)	E	192 - 207
46	X-RAY DIFFRACTION	46	(chain E and resid 208:302)	E	208 - 302
47	X-RAY DIFFRACTION	47	(chain E and resid 303:328)	E	303 - 328
48	X-RAY DIFFRACTION	48	(chain E and resid 329:386)	E	329 - 386
49	X-RAY DIFFRACTION	49	(chain E and resid 387:413)	E	387 - 413
50	X-RAY DIFFRACTION	50	(chain E and resid 414:419)	E	414 - 419
51	X-RAY DIFFRACTION	51	(chain F and resid 59:71)	F	59 - 71
52	X-RAY DIFFRACTION	52	(chain F and resid 72:84)	F	72 - 84
53	X-RAY DIFFRACTION	53	(chain F and resid 85:151)	F	85 - 151
54	X-RAY DIFFRACTION	54	(chain F and resid 152:173)	F	152 - 173
55	X-RAY DIFFRACTION	55	(chain F and resid 174:256)	F	174 - 256
56	X-RAY DIFFRACTION	56	(chain F and resid 257:277)	F	257 - 277
57	X-RAY DIFFRACTION	57	(chain F and resid 278:322)	F	278 - 322
58	X-RAY DIFFRACTION	58	(chain F and resid 323:339)	F	323 - 339
59	X-RAY DIFFRACTION	59	(chain F and resid 340:353)	F	340 - 353
60	X-RAY DIFFRACTION	60	(chain F and resid 354:363)	F	354 - 363

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Protein , 4 types, 6 molecules ACBDFE

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Non-polymers , 4 types, 185 molecules

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Protein , 4 types, 6 molecules ACBDFE

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Non-polymers , 4 types, 185 molecules

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Details

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Experimental details

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Experiment

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Sample preparation

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Processing

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