PDB-4h32: The crystal structure of the hemagglutinin H17 derived the bat in...

ID or keywords:

Entry

Database: PDB / ID: 4h32

Title

The crystal structure of the hemagglutinin H17 derived the bat influenza A virus

Components

(Hemagglutinin) x 2

Keywords

VIRAL PROTEIN / homotrimer / virus entry and fusion / envelope of virus

Function / homology

Function and homology information

viral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / virion membrane / membrane
Similarity search - Function

Biological species

Influenza A virus

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.7 Å

Authors

Sun, X. / Shi, Y. / Lu, X. / He, J. / Gao, F. / Yan, J. / Qi, J. / Gao, G.F.

Citation

Journal: Cell Rep / Year: 2013
Title: Bat-derived influenza hemagglutinin H17 does not bind canonical avian or human receptors and most likely uses a unique entry mechanism.
Authors: Sun, X. / Shi, Y. / Lu, X. / He, J. / Gao, F. / Yan, J. / Qi, J. / Gao, G.F.

History

Deposition	Sep 13, 2012	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 10, 2013	Provider: repository / Type: Initial release
Revision 1.1	Jul 29, 2020	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary Category: chem_comp / entity ...chem_comp / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / struct_conn / struct_ref_seq_dif / struct_site / struct_site_gen Item: _chem_comp.name / _chem_comp.type ..._chem_comp.name / _chem_comp.type / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_ref_seq_dif.details Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 1.2	Oct 30, 2024	Group: Data collection / Database references / Structure summary Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4h32.cif.gz	1.1 MB	Display	PDBx/mmCIF format
PDB format	pdb4h32.ent.gz	972.6 KB	Display	PDB format
PDBx/mmJSON format	4h32.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/h3/4h32 ftp://data.pdbj.org/pub/pdb/validation_reports/h3/4h32	HTTPS FTP

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Related structure data

Similar structure data	4i78-2 4kwm-2 4uo7-d 4uo1-d 6pd6-1 3ubn-1 4uo2-d 6y5h-d 4wa2-2 4i78-1 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

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#76 - Apr 2006 Hemagglutinin similarity (5) #170 - Feb 2014 Broadly Neutralizing Antibodies similarity (5) #259 - Jul 2021 Designed Proteins and Citizen Science similarity (5) #62 - Feb 2005 Major Histocompatibility Complex similarity (5) #63 - Mar 2005 T-Cell Receptor similarity (5) #200 - Aug 2016 Quasisymmetry in Icosahedral Viruses similarity (1)

Deposited unit

A: Hemagglutinin

B: Hemagglutinin

C: Hemagglutinin

D: Hemagglutinin

E: Hemagglutinin

F: Hemagglutinin

G: Hemagglutinin

H: Hemagglutinin

I: Hemagglutinin

J: Hemagglutinin

K: Hemagglutinin

L: Hemagglutinin

hetero molecules

336 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Hemagglutinin

B: Hemagglutinin

C: Hemagglutinin

D: Hemagglutinin

E: Hemagglutinin

F: Hemagglutinin

hetero molecules

defined by author&software
168 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

G: Hemagglutinin

H: Hemagglutinin

I: Hemagglutinin

J: Hemagglutinin

K: Hemagglutinin

L: Hemagglutinin

hetero molecules

defined by author&software
168 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	74.149, 101.840, 497.091
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein

Hemagglutinin

Mass: 35881.117 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Influenza A virus / Gene: HA / Production host:

Spodoptera frugiperda (fall armyworm) / References: UniProt: H6QM93

#2: Protein

Hemagglutinin

Mass: 19721.875 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Influenza A virus / Gene: HA / Production host:

Spodoptera frugiperda (fall armyworm) / References: UniProt: H6QM93

#3: Sugar

ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE

Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 9
Source method: isolated from a genetically manipulated source
Formula: C₈H₁₅NO₆

Identifier	Type	Program
DGlcpNAcb	CONDENSED IUPAC CARBOHYDRATE SYMBOL	GMML 1.0
N-acetyl-b-D-glucopyranosamine	COMMON NAME	GMML 1.0
b-D-GlcpNAc	IUPAC CARBOHYDRATE SYMBOL	PDB-CARE 1.0
GlcNAc	SNFG CARBOHYDRATE SYMBOL	GMML 1.0

#4: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 381 / Source method: isolated from a natural source / Formula: H₂O

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: 2.81 Å³/Da / Density % sol: 56.27 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 5 Details: Protein (1ul at 10 mg/ml) in 20 mM Tris (pH 8.0) and 50 mM NaCl was mixed with 1ul reservoir solution (0.1 M sodium citrate tribasic dehydrate (pH 5.0) and 30% v/v Jeffamine, ED-2001 (pH 7.0) ...Details: Protein (1ul at 10 mg/ml) in 20 mM Tris (pH 8.0) and 50 mM NaCl was mixed with 1ul reservoir solution (0.1 M sodium citrate tribasic dehydrate (pH 5.0) and 30% v/v Jeffamine, ED-2001 (pH 7.0), VAPOR DIFFUSION, SITTING DROP, temperature 289K

Crystal

Density Matthews: 2.81 Å³/Da / Density % sol: 56.27 %

Crystal grow

Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 5
Details: Protein (1ul at 10 mg/ml) in 20 mM Tris (pH 8.0) and 50 mM NaCl was mixed with 1ul reservoir solution (0.1 M sodium citrate tribasic dehydrate (pH 5.0) and 30% v/v Jeffamine, ED-2001 (pH 7.0) ...

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 1 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jun 1, 2012
Radiation	Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.7→50 Å / % possible obs: 92.8 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 1
Reflection shell	Resolution: 2.7→2.8 Å / % possible all: 91.8

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Processing

Software

Name	Version	Classification
ADSC	Quantum	data collection
PHASES		phasing
PHENIX	(phenix.refine: 1.7.3_928)	refinement
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.7→49.884 Å / SU ML: 0.39 / σ(F): 1.34 / Phase error: 26.78 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2627	4890	5.02 %	RANDOM
R_work	0.2168	-	-	-
all	0.2191	97370	-	-
obs	0.2191	97370	92.81 %	-

Solvent computation

Shrinkage radii: 0.98 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 28.96 Å² / k_sol: 0.323 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.4461 Å²	0 Å²	-0 Å²
2-	-	5.7852 Å²	0 Å²
3-	-	-	-6.2313 Å²

Refinement step

Cycle: LAST / Resolution: 2.7→49.884 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	23410	0	126	381	23917

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.004	24118
X-RAY DIFFRACTION	f_angle_d	0.949	32631
X-RAY DIFFRACTION	f_dihedral_angle_d	15.899	8981
X-RAY DIFFRACTION	f_chiral_restr	0.062	3500
X-RAY DIFFRACTION	f_plane_restr	0.003	4337

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.7-2.7308	0.3574	162	0.2975	2983	X-RAY DIFFRACTION	90
2.7308-2.7629	0.3658	146	0.2872	2978	X-RAY DIFFRACTION	91
2.7629-2.7966	0.3463	147	0.2705	3049	X-RAY DIFFRACTION	94
2.7966-2.832	0.3166	177	0.2639	2949	X-RAY DIFFRACTION	90
2.832-2.8692	0.3493	155	0.2634	3019	X-RAY DIFFRACTION	92
2.8692-2.9085	0.336	155	0.2614	3037	X-RAY DIFFRACTION	93
2.9085-2.9501	0.2836	150	0.2472	2996	X-RAY DIFFRACTION	91
2.9501-2.9941	0.3012	160	0.2522	3034	X-RAY DIFFRACTION	91
2.9941-3.0409	0.3471	154	0.2683	3015	X-RAY DIFFRACTION	94
3.0409-3.0907	0.342	143	0.2544	3036	X-RAY DIFFRACTION	90
3.0907-3.144	0.3053	154	0.2428	3028	X-RAY DIFFRACTION	94
3.144-3.2012	0.2844	169	0.2421	3035	X-RAY DIFFRACTION	91
3.2012-3.2627	0.3098	158	0.2443	2998	X-RAY DIFFRACTION	92
3.2627-3.3293	0.2913	170	0.241	3044	X-RAY DIFFRACTION	92
3.3293-3.4017	0.2979	164	0.2418	3007	X-RAY DIFFRACTION	91
3.4017-3.4808	0.2755	160	0.2294	3022	X-RAY DIFFRACTION	93
3.4808-3.5678	0.2683	152	0.2198	3029	X-RAY DIFFRACTION	91
3.5678-3.6643	0.2623	186	0.2073	3033	X-RAY DIFFRACTION	92
3.6643-3.7721	0.2186	173	0.2076	3041	X-RAY DIFFRACTION	92
3.7721-3.8938	0.2599	164	0.1995	3052	X-RAY DIFFRACTION	93
3.8938-4.0329	0.255	177	0.1885	3073	X-RAY DIFFRACTION	94
4.0329-4.1943	0.2313	157	0.1824	3103	X-RAY DIFFRACTION	92
4.1943-4.3851	0.2006	157	0.1746	3112	X-RAY DIFFRACTION	93
4.3851-4.6161	0.1858	180	0.1655	3120	X-RAY DIFFRACTION	93
4.6161-4.9051	0.2113	162	0.1779	3114	X-RAY DIFFRACTION	94
4.9051-5.2834	0.2336	174	0.1921	3205	X-RAY DIFFRACTION	95
5.2834-5.8144	0.2583	158	0.2093	3221	X-RAY DIFFRACTION	96
5.8144-6.654	0.2595	160	0.224	3329	X-RAY DIFFRACTION	97
6.654-8.377	0.2727	183	0.2055	3351	X-RAY DIFFRACTION	97
8.377-49.8924	0.2627	183	0.2376	3467	X-RAY DIFFRACTION	96

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	0.2108	0.0154	-0.0556	0.0302	-0.0807	0.1716	-0.1328	0.0269	0.206	0.191	0.0787	-0.1607	0.0326	-0.0759	0.0923	0.4655	0.1116	-0.121	0.2372	-0.1114	0.3453	6.2609	20.9147	55.0512
2	0.0144	-0.0166	0.0227	0.0078	-0.0249	0.0241	-0.061	-0.0304	-0.0805	0.0934	0.0413	0.0072	-0.031	0.1043	-0	0.2003	0.0437	-0.0219	0.1564	-0.0087	0.2631	-8.2148	23.3258	12.1828
3	0.0498	0.0524	0.0053	0.051	-0.0221	0.1895	0.0783	0.0444	0.0642	-0.0798	-0.0269	-0.0401	0.0958	-0.0118	0.0187	0.1346	0.0185	0.0178	0.164	0.0082	0.2428	-10.0317	16.7032	-4.2381
4	0.0014	-0.0047	0.0071	0.0219	-0.0048	0.0057	-0.0109	-0.1366	0.0577	-0.0213	-0.0665	0.017	0.0689	0.1066	-0.0003	0.1958	0.0105	0.0096	0.2269	-0.0134	0.2856	-1.2603	17.31	7.8737
5	0.0148	-0.0258	0.0142	0.0527	0.0054	0.0115	-0.1694	-0.1751	0.2172	0.1679	0.0317	-0.1654	0.0653	0.0529	-0.0003	0.3722	0.0823	-0.0602	0.2735	-0.0144	0.3275	1.4491	20.0656	41.7068
6	0.0037	0.0041	0.0226	0.0989	-0.0456	0.0205	0.0702	0.0544	0.0956	0.0204	-0.1168	-0.0953	0.1331	0.207	-0.0015	0.243	0.0326	-0.0651	0.4102	-0.0701	0.331	25.9697	-5.7272	45.2521
7	0.0106	0.0035	0.0134	0.0099	0.0102	0.0147	0.0468	0.1635	-0.0745	-0.031	0.0872	-0.0916	0.1311	0.1189	0.0014	0.2648	0.0985	-0.0707	0.273	-0.0578	0.3178	7.4581	-17.8011	6.6686
8	0.1428	-0.1084	-0.0213	0.1721	-0.0508	0.0425	0.055	0.0462	-0.0112	-0.041	-0.0138	-0.0138	0.0738	0.0605	0	0.174	0.0197	0.0119	0.1597	-0.0328	0.2144	-8.2421	-14.6377	-2.8149
9	0.1619	0.1903	0.054	0.2394	0.0581	0.0233	0.1085	-0.0296	-0.0476	0.2057	-0.0738	-0.0889	0.0346	0.0385	-0.0391	0.1527	0.0308	-0.024	0.1504	-0.0825	0.2534	-3.5577	-17.76	9.4665
10	0.0812	-0.0158	-0.0169	0.0265	-0.0243	0.0285	-0.0857	0.0061	0.0364	0.0082	0.1304	-0.1119	0.0852	0.2262	0	0.3401	0.0117	-0.0154	0.2702	-0.0401	0.266	18.2498	-7.0405	33.3648
11	0.0935	0.0199	-0.0878	0.001	-0.0179	0.0818	0.045	-0.2713	0.0352	0.0092	-0.0717	0.0726	0.0698	0.0186	0.0066	0.3327	-0.0213	-0.0471	0.3098	0.0372	0.2618	-4.3096	-11.7499	60.9457
12	0.0189	0.0027	0.0263	-0.001	0.0063	0.0198	-0.076	-0.0817	-0.075	0.0356	0.089	-0.084	0.0843	0.1115	-0	0.2537	0.0299	-0.0021	0.2074	0.0055	0.2734	-29.9802	-7.8899	23.9552
13	0.3786	0.1987	-0.2783	0.1258	-0.1305	0.1822	-0.0615	0.1959	0.0415	0.0096	0.1126	0.0697	0.0057	-0.1579	0.0529	0.0941	0.0275	0.0093	0.0257	0.0117	0.1356	-35.0029	0.3468	9.0299
14	0.1735	-0.0551	0.0311	0.0498	-0.0113	0.0135	-0.1388	-0.1014	0.0652	0.0923	0.0433	-0.0238	-0.0519	-0.0285	-0.0413	0.2407	0.0163	0.007	0.112	-0.0352	0.2711	-29.5221	2.2428	22.9007
15	0.0387	0.0397	-0.0199	0.0252	-0.0211	0.0126	-0.0552	-0.0946	0.0098	0.1152	-0.0068	0.087	-0.0423	-0.0209	-0	0.1912	0.0362	-0.0431	0.2266	-0.0044	0.2186	-10.9138	-10.0272	48.4985
16	0.0047	-0.0153	0.012	-0.0062	0.0013	0.0118	0.0779	-0.1025	-0.0671	-0.0703	-0.0366	-0.0247	0.1556	-0.0841	-0.1099	0.5801	-0.1735	-0.2521	0.4291	0.1165	0.291	-16.586	29.8398	78.7422
17	0.209	0.0237	-0.0838	0.0933	0.0195	0.182	0.1028	-0.0926	-0.005	0.1191	-0.0569	-0.0192	0.3376	-0.3306	-0.0004	0.319	-0.0863	-0.0727	0.3685	0.0515	0.2741	-41.8247	37.9952	44.0669
18	0.0044	0.0092	-0.0013	0.0169	-0.0061	0.0114	-0.0387	-0.1767	-0.0067	0.0648	-0.1015	-0.1109	0.0322	0.0208	-0.0001	0.3378	-0.1398	-0.0707	0.4949	0.0742	0.2643	-39.0671	38.7048	56.8372
19	0.0018	-0.0145	0.0272	0.0282	-0.0375	0.0329	0.1434	-0.0094	-0.1625	-0.1017	-0.0514	0.1004	0.0729	-0.1221	-0.0033	0.5694	-0.1526	-0.1598	0.4028	0.0288	0.3352	-13.716	32.4638	78.5007
20	0.0641	0.0038	-0.0157	0.0388	0.0185	0.1245	-0.0676	-0.1265	0.1071	0.0946	0.0174	-0.0078	-0.0251	-0.0555	-0.0059	0.3466	0.0994	-0.1575	0.5875	-0.1181	0.0335	-17.5014	63.2638	97.0545
21	0.023	0.002	-0.0007	-0.0007	-0.006	0.0049	-0.0616	-0.1813	-0.0055	0.1515	-0.0686	0.1368	-0.0603	-0.1886	-0	0.2453	0.0298	-0.0319	0.3853	0.0087	0.2394	-36.344	70.3487	56.5191
22	0.0796	0.0147	-0.0448	0.1643	0.0083	0.0727	-0.0617	-0.1528	0.0113	-0.0034	-0.0314	0.0517	0.0226	-0.215	-0.0006	0.215	-0.0016	-0.0095	0.2736	0.0073	0.2777	-35.6555	70.0157	38.7166
23	0.1057	0.0839	0.0211	0.1433	-0.0469	0.0559	0.0309	-0.2112	-0.0146	0.2188	-0.2374	-0.0146	-0.0323	0.1227	0.0001	0.2807	0.0069	-0.0027	0.3107	0.0324	0.3048	-27.6829	71.7581	51.2573
24	0.024	-0.0394	0.0115	0.0442	0.0336	0.1153	-0.1102	-0.0561	0.1197	0.2091	0.0012	-0.0567	0.1056	-0.1858	-0.0072	0.3508	0.0888	-0.0832	0.6357	0.0005	0.2804	-22.6821	64.0917	83.9918
25	0.0256	0.0337	0.0007	0.0421	-0.0155	0.0174	-0.0154	-0.0452	-0.0211	0.197	-0.1104	-0.0357	0.0088	0.0879	-0.0015	0.4521	-0.0891	-0.1069	0.4667	0.0148	0.2803	12.9931	58.9478	80.7119
26	0.0027	0.0133	0.007	0.0205	0.0125	0.0207	0.1021	-0.0322	0.0614	0.1879	0.0042	0.0113	0.0759	0.0775	-0	0.3237	0.0196	-0.072	0.2205	-0.0305	0.31	-4.1847	53.702	39.4109
27	0.1164	-0.0599	-0.0256	0.1101	0.0904	0.0616	0.0827	0.1149	0.0156	0.0135	-0.0535	0.0603	0.0322	-0.0122	0.0009	0.2008	0.001	-0.055	0.1488	0.0108	0.2544	-15.7952	46.473	27.9825
28	0.069	0.0105	-0.0025	0.0003	-0.0006	0.0011	0.0716	0.0167	0.111	0.2238	0.0394	-0.093	0.0965	0.0094	0.0053	0.3589	0.0258	-0.1152	0.1887	-0.0158	0.2991	-8.1123	44.3164	40.6999
29	0.0218	0.0116	0.0178	0.0133	-0.0065	0.0089	-0.1428	-0.0514	0.0068	0.0196	-0.0198	-0.1956	0.1136	0.131	-0	0.5578	-0.0114	-0.0779	0.3898	-0.0174	0.3374	5.9545	57.4392	68.521
30	0.3441	0.0352	-0.0976	0.0139	-0.0212	0.0281	-0.0189	0.0408	0.1712	0.1815	0.086	-0.1888	-0.1438	-0.0525	0.0258	0.4312	0.0525	-0.1331	0.209	-0.0654	0.3317	13.2877	17.6461	57.3953
31	0.1037	-0.0106	-0.0547	0.1634	-0.0796	0.1537	-0.0691	-0.0096	0.082	0.1555	0.0569	-0.0987	-0.1839	0.0618	0.1392	0.3688	0.0979	-0.2388	0.2402	-0.166	0.1724	18.3126	10.2517	71.5557
32	0.0089	-0.0047	0.0028	0.0029	0.0025	0.0013	-0.057	0.0617	-0.0531	-0.0453	-0.1279	-0.1907	-0.0433	0.048	0	0.3853	0.0171	-0.1309	0.4733	-0.0836	0.4603	38.3453	-7.8849	68.573
33	0.0274	-0.005	-0.0219	0.0001	0.0043	0.0133	-0.0205	-0.0019	-0.0284	0.0455	0.0202	0.075	0.1088	-0.02	0	0.2417	0.0157	-0.0499	0.2682	-0.0263	0.2961	15.1586	-12.2062	47.9692
34	0.0008	-0.0008	-0.0009	0.0002	0.0008	0.001	0.0174	0.006	0.0142	0.0278	0.0163	-0.0112	0.017	-0.0166	0	1.2277	-0.0215	-0.0617	1.1719	0.0266	0.9629	1.8322	1.591	14.0079
35	0.1067	-0.0024	-0.0333	0.1947	0.1218	0.0717	-0.0346	-0.0941	-0.0557	0.0606	0.129	-0.063	-0.0991	-0.0192	0.0223	0.2105	0.0416	-0.0726	0.2353	-0.0327	0.2301	25.0128	-3.3468	68.1708
36	0.1544	0.0382	0.0384	0.1288	0.0524	0.0307	0.0669	-0.2987	-0.1211	0.0908	0.2099	0.104	0.0208	0.0491	0.0256	0.2474	0.0355	-0.0298	0.442	0.0254	0.2109	-0.1828	-4.9108	72.1528
37	0	-0	0.0001	-0.0001	0.0002	0.0001	-0.0098	-0.0121	0.0029	0.0078	0.001	-0.0188	-0.0137	-0.0044	-0	1.0789	-0.0124	-0.1281	1.0926	-0.038	1.1633	-12.6618	-9.4163	21.5488
38	0.1631	-0.0526	-0.0037	0.0865	-0.0032	0.0004	0.0143	-0.3263	-0.0529	0.1384	0.153	-0.0219	-0.0299	-0.2406	0.1927	0.3876	0.0989	-0.0889	0.5228	-0.01	0.2052	11.1796	-3.0709	75.2413
39	0.1015	-0.0418	-0.0195	0.0438	0.064	0.0865	0.0759	-0.0861	-0.0461	0.0685	-0.0372	0.1182	-0.0284	-0.0123	0.0229	0.4333	-0.1182	-0.1821	0.454	0.108	0.2109	-4.9089	35.0259	103.1995
40	-0.0001	0.0004	0.0001	0.0004	-0	-0.0001	0.0057	-0.0054	0.0085	-0.0032	-0.0024	-0.022	-0.004	-0.0091	0	1.2523	-0.0254	0.0778	1.2393	-0.1252	1.1322	-19.2694	41.136	53.4072
41	0.1449	0.0303	0.0275	0.0428	0.0361	0.0342	0.1183	-0.1154	-0.0088	0.0208	-0.0194	-0.0227	0.0386	-0.0109	0.1912	0.3476	-0.1588	-0.2277	0.52	0.1066	-0.0749	3.652	41.8586	107.7672
42	0.0555	-0.0151	-0.01	-0.0047	0.0038	0.0041	0.1666	-0.0156	0.1534	0.0553	0.1167	0.0144	-0.0208	-0.0947	0.0092	0.5752	0.0348	-0.1113	0.5624	-0.0862	0.3343	-5.8205	65.8738	104.5367
43	-0.0002	0.0001	0.0001	-0	0	0.0001	-0.0083	0.0029	-0.0057	0.0139	-0.0018	-0.0219	-0.0131	0.0019	0	1.1731	0.0096	-0.1115	1.1356	-0.0059	1.1181	-31.7817	54.3774	60.6473
44	0.0719	0.006	-0.036	0.0201	-0.0222	0.0519	-0.0373	-0.0951	-0.0012	0.0862	0.1068	-0.0125	0.0836	-0.0789	0.0628	0.4051	0.0112	-0.1724	0.5394	-0.0787	0.1322	1.1509	57.3634	109.623
45	0.0217	0.015	-0.0031	0.0082	-0.0033	0.0011	-0.0568	0.016	0.0876	-0.065	-0.0651	0.0132	-0.0217	0.0288	0	0.4871	-0.1265	-0.1412	0.8241	0.0244	0.442	27.258	56.5165	102.4203
46	-0.0017	0.0043	0.0042	0.0299	0.0172	0.0088	-0.0125	-0.0676	-0.0238	-0.052	0.0754	0.1241	0.0053	-0.0048	-0	0.4141	-0.1008	-0.0829	0.3436	-0.0193	0.2486	8.3339	46.7262	79.684
47	0.0002	0.0001	-0.0003	-0.0001	0.0005	0.0006	0.0139	0.0016	0.027	-0.0091	0.0253	0.0234	0.0266	-0.0076	0	1.1625	-0.0382	-0.0203	1.0968	-0.0341	1.0968	-15.3375	60.4788	51.843
48	0.0953	-0.0409	-0.1091	0.0731	0.0367	0.103	0.0407	-0.0681	-0.0428	0.0219	0.0726	-0.0038	-0.0069	0.0433	0.1846	0.3502	-0.056	-0.1179	0.3915	-0.0112	0.2033	13.9277	52.1163	102.3636

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resseq 4:55)
2	X-RAY DIFFRACTION	2	chain 'A' and (resseq 56:108)
3	X-RAY DIFFRACTION	3	chain 'A' and (resseq 109:244)
4	X-RAY DIFFRACTION	4	chain 'A' and (resseq 245:268)
5	X-RAY DIFFRACTION	5	chain 'A' and (resseq 269:323)
6	X-RAY DIFFRACTION	6	chain 'C' and (resseq 4:55)
7	X-RAY DIFFRACTION	7	chain 'C' and (resseq 56:85)
8	X-RAY DIFFRACTION	8	chain 'C' and (resseq 86:244)
9	X-RAY DIFFRACTION	9	chain 'C' and (resseq 245:268)
10	X-RAY DIFFRACTION	10	chain 'C' and (resseq 269:323)
11	X-RAY DIFFRACTION	11	chain 'E' and (resseq 4:55)
12	X-RAY DIFFRACTION	12	chain 'E' and (resseq 56:108)
13	X-RAY DIFFRACTION	13	chain 'E' and (resseq 109:244)
14	X-RAY DIFFRACTION	14	chain 'E' and (resseq 245:268)
15	X-RAY DIFFRACTION	15	chain 'E' and (resseq 269:323)
16	X-RAY DIFFRACTION	16	chain 'G' and (resseq 4:82)
17	X-RAY DIFFRACTION	17	chain 'G' and (resseq 83:244)
18	X-RAY DIFFRACTION	18	chain 'G' and (resseq 245:268)
19	X-RAY DIFFRACTION	19	chain 'G' and (resseq 269:323)
20	X-RAY DIFFRACTION	20	chain 'I' and (resseq 4:55)
21	X-RAY DIFFRACTION	21	chain 'I' and (resseq 56:108)
22	X-RAY DIFFRACTION	22	chain 'I' and (resseq 109:244)
23	X-RAY DIFFRACTION	23	chain 'I' and (resseq 245:268)
24	X-RAY DIFFRACTION	24	chain 'I' and (resseq 269:323)
25	X-RAY DIFFRACTION	25	chain 'K' and (resseq 4:55)
26	X-RAY DIFFRACTION	26	chain 'K' and (resseq 56:108)
27	X-RAY DIFFRACTION	27	chain 'K' and (resseq 109:244)
28	X-RAY DIFFRACTION	28	chain 'K' and (resseq 245:268)
29	X-RAY DIFFRACTION	29	chain 'K' and (resseq 269:323)
30	X-RAY DIFFRACTION	30	chain 'B' and (resseq 338:402)
31	X-RAY DIFFRACTION	31	chain 'B' and (resseq 403:505)
32	X-RAY DIFFRACTION	32	chain 'D' and (resseq 335:365)
33	X-RAY DIFFRACTION	33	chain 'D' and (resseq 366:395)
34	X-RAY DIFFRACTION	34	chain 'D' and (resseq 396:402)
35	X-RAY DIFFRACTION	35	chain 'D' and (resseq 403:505)
36	X-RAY DIFFRACTION	36	chain 'F' and (resseq 335:395)
37	X-RAY DIFFRACTION	37	chain 'F' and (resseq 396:402)
38	X-RAY DIFFRACTION	38	chain 'F' and (resseq 403:505)
39	X-RAY DIFFRACTION	39	chain 'H' and (resseq 335:395)
40	X-RAY DIFFRACTION	40	chain 'H' and (resseq 396:402)
41	X-RAY DIFFRACTION	41	chain 'H' and (resseq 403:505)
42	X-RAY DIFFRACTION	42	chain 'J' and (resseq 335:395)
43	X-RAY DIFFRACTION	43	chain 'J' and (resseq 396:402)
44	X-RAY DIFFRACTION	44	chain 'J' and (resseq 403:505)
45	X-RAY DIFFRACTION	45	chain 'L' and (resseq 335:365)
46	X-RAY DIFFRACTION	46	chain 'L' and (resseq 366:395)
47	X-RAY DIFFRACTION	47	chain 'L' and (resseq 396:402)
48	X-RAY DIFFRACTION	48	chain 'L' and (resseq 403:505)

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