PDB-6d7c: The crystal structure of hemagglutinin from A/Hong Kong/61/2016 H...

ID or keywords:

Entry

Database: PDB / ID: 6d7c

Title

The crystal structure of hemagglutinin from A/Hong Kong/61/2016 H7N9 influenza virus

Components

Hemagglutinin HA1 chain
Hemagglutinin HA2 chain

Keywords

VIRAL PROTEIN /

Influenza virus /

Surface protein /

H7N9

Function / homology

Function and homology information

viral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / membrane => GO:0016020 / host cell surface receptor binding / apical plasma membrane / 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
Similarity search - Function

Biological species

Influenza A virus

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.95 Å

Authors

Yang, H. / Stevens, J.

Citation

Journal: J. Virol. / Year: 2018
Title: Structural and Molecular Characterization of the Hemagglutinin from the Fifth-Epidemic-Wave A(H7N9) Influenza Viruses.
Authors: Yang, H. / Carney, P.J. / Chang, J.C. / Guo, Z. / Stevens, J.

History

Deposition	Apr 24, 2018	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 30, 2018	Provider: repository / Type: Initial release
Revision 1.1	Jun 13, 2018	Group: Data collection / Database references / Category: citation Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2	Apr 3, 2019	Group: Data collection / Database references / Category: citation / Item: _citation.journal_volume / _citation.title
Revision 1.3	Jul 29, 2020	Group: Data collection / Derived calculations / Structure summary Category: chem_comp / entity ...chem_comp / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / struct_conn / 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_role Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 1.4	Oct 4, 2023	Group: Advisory / Data collection ...Advisory / Data collection / Database references / Refinement description / Structure summary Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_unobs_or_zero_occ_atoms / struct_ncs_dom_lim Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _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

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/d7/6d7c ftp://data.pdbj.org/pub/pdb/validation_reports/d7/6d7c	HTTPS FTP

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Related structure data

Related structure data	6d7uC 6d8bC 6d8dC 4ln6S S: Starting model for refinement C: citing same article (ref.)
Similar structure data	5vjk-1 4dj6-d 6id9-1 5xl1-2 4lkg-2 4kom-1 4dj7-d 6id8-1 4lki-1 5t6s-2 5xl1-1 4lkk-1 4bsf-1 4bse-1 4n5j-2 5vu4-d 6icx-1 6id2-2 6icy-1 4ln4-1 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

Related structure data

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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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 HA1 chain

B: Hemagglutinin HA2 chain

C: Hemagglutinin HA1 chain

D: Hemagglutinin HA2 chain

E: Hemagglutinin HA1 chain

F: Hemagglutinin HA2 chain

G: Hemagglutinin HA1 chain

H: Hemagglutinin HA2 chain

I: Hemagglutinin HA1 chain

J: Hemagglutinin HA2 chain

K: Hemagglutinin HA1 chain

L: Hemagglutinin HA2 chain

hetero molecules

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

1

A: Hemagglutinin HA1 chain

B: Hemagglutinin HA2 chain

E: Hemagglutinin HA1 chain

F: Hemagglutinin HA2 chain

I: Hemagglutinin HA1 chain

J: Hemagglutinin HA2 chain

hetero molecules

defined by author&software
Evidence: gel filtration, Trimer
182 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Hemagglutinin HA1 chain

D: Hemagglutinin HA2 chain

G: Hemagglutinin HA1 chain

H: Hemagglutinin HA2 chain

K: Hemagglutinin HA1 chain

L: Hemagglutinin HA2 chain

hetero molecules

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

Unit cell

Length a, b, c (Å)	210.014, 97.527, 191.809
Angle α, β, γ (deg.)	90.00, 108.58, 90.00
Int Tables number	5
Space group name H-M	C121

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: 0 / Refine code: 0

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	ASP	ASP	GLU	GLU	A	A	1 - 316	1 - 316
2	1	ASP	ASP	GLU	GLU	C	C	1 - 316	1 - 316
1	2	ASP	ASP	GLU	GLU	A	A	1 - 316	1 - 316
2	2	ASP	ASP	GLU	GLU	E	E	1 - 316	1 - 316
1	3	ASP	ASP	GLU	GLU	A	A	1 - 316	1 - 316
2	3	ASP	ASP	GLU	GLU	G	G	1 - 316	1 - 316
1	4	ASP	ASP	GLU	GLU	A	A	1 - 316	1 - 316
2	4	ASP	ASP	GLU	GLU	I	I	1 - 316	1 - 316
1	5	ASP	ASP	GLU	GLU	A	A	1 - 316	1 - 316
2	5	ASP	ASP	GLU	GLU	K	K	1 - 316	1 - 316
1	6	GLY	GLY	ILE	ILE	B	B	1 - 171	1 - 171
2	6	GLY	GLY	ILE	ILE	D	D	1 - 171	1 - 171
1	7	GLY	GLY	ILE	ILE	B	B	1 - 171	1 - 171
2	7	GLY	GLY	ILE	ILE	F	F	1 - 171	1 - 171
1	8	GLY	GLY	ILE	ILE	B	B	1 - 171	1 - 171
2	8	GLY	GLY	ILE	ILE	H	H	1 - 171	1 - 171
1	9	GLY	GLY	ILE	ILE	B	B	1 - 171	1 - 171
2	9	GLY	GLY	ILE	ILE	J	J	1 - 171	1 - 171
1	10	GLY	GLY	ILE	ILE	B	B	1 - 171	1 - 171
2	10	GLY	GLY	ILE	ILE	L	L	1 - 171	1 - 171
1	11	ASP	ASP	GLU	GLU	C	C	1 - 316	1 - 316
2	11	ASP	ASP	GLU	GLU	E	E	1 - 316	1 - 316
1	12	ASP	ASP	GLU	GLU	C	C	1 - 316	1 - 316
2	12	ASP	ASP	GLU	GLU	G	G	1 - 316	1 - 316
1	13	ASP	ASP	GLU	GLU	C	C	1 - 316	1 - 316
2	13	ASP	ASP	GLU	GLU	I	I	1 - 316	1 - 316
1	14	ASP	ASP	GLU	GLU	C	C	1 - 316	1 - 316
2	14	ASP	ASP	GLU	GLU	K	K	1 - 316	1 - 316
1	15	GLY	GLY	ILE	ILE	D	D	1 - 171	1 - 171
2	15	GLY	GLY	ILE	ILE	F	F	1 - 171	1 - 171
1	16	GLY	GLY	ILE	ILE	D	D	1 - 171	1 - 171
2	16	GLY	GLY	ILE	ILE	H	H	1 - 171	1 - 171
1	17	GLY	GLY	ILE	ILE	D	D	1 - 171	1 - 171
2	17	GLY	GLY	ILE	ILE	J	J	1 - 171	1 - 171
1	18	GLY	GLY	ILE	ILE	D	D	1 - 171	1 - 171
2	18	GLY	GLY	ILE	ILE	L	L	1 - 171	1 - 171
1	19	ASP	ASP	GLU	GLU	E	E	1 - 316	1 - 316
2	19	ASP	ASP	GLU	GLU	G	G	1 - 316	1 - 316
1	20	ASP	ASP	GLU	GLU	E	E	1 - 316	1 - 316
2	20	ASP	ASP	GLU	GLU	I	I	1 - 316	1 - 316
1	21	ASP	ASP	GLU	GLU	E	E	1 - 316	1 - 316
2	21	ASP	ASP	GLU	GLU	K	K	1 - 316	1 - 316
1	22	GLY	GLY	ILE	ILE	F	F	1 - 171	1 - 171
2	22	GLY	GLY	ILE	ILE	H	H	1 - 171	1 - 171
1	23	GLY	GLY	ILE	ILE	F	F	1 - 171	1 - 171
2	23	GLY	GLY	ILE	ILE	J	J	1 - 171	1 - 171
1	24	GLY	GLY	ILE	ILE	F	F	1 - 171	1 - 171
2	24	GLY	GLY	ILE	ILE	L	L	1 - 171	1 - 171
1	25	ASP	ASP	GLU	GLU	G	G	1 - 316	1 - 316
2	25	ASP	ASP	GLU	GLU	I	I	1 - 316	1 - 316
1	26	ASP	ASP	GLU	GLU	G	G	1 - 316	1 - 316
2	26	ASP	ASP	GLU	GLU	K	K	1 - 316	1 - 316
1	27	GLY	GLY	ILE	ILE	H	H	1 - 171	1 - 171
2	27	GLY	GLY	ILE	ILE	J	J	1 - 171	1 - 171
1	28	GLY	GLY	ILE	ILE	H	H	1 - 171	1 - 171
2	28	GLY	GLY	ILE	ILE	L	L	1 - 171	1 - 171
1	29	ASP	ASP	GLU	GLU	I	I	1 - 316	1 - 316
2	29	ASP	ASP	GLU	GLU	K	K	1 - 316	1 - 316
1	30	GLY	GLY	ILE	ILE	J	J	1 - 171	1 - 171
2	30	GLY	GLY	ILE	ILE	L	L	1 - 171	1 - 171

NCS ensembles :

#1: Protein

Hemagglutinin HA1 chain

Mass: 34991.652 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Influenza A virus / Strain: A/Hong Kong/61/2016(H7N9) / Gene: HA / Production host:

Trichoplusia ni (cabbage looper) / References: UniProt: A0A0C4ZYE2

#2: Protein

Hemagglutinin HA2 chain

Mass: 25274.420 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Influenza A virus / Strain: A/Hong Kong/61/2016(H7N9) / Gene: HA / Production host:

Trichoplusia ni (cabbage looper) / References: UniProt: S4V1Z7

#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 /

N-Acetylglucosamine

Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 10
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

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.57 Å³/Da / Density % sol: 52.23 %
Crystal grow	Temperature: 293 K / Method: microbatch Details: 0.2 M Magnesium Chloride, 0.1M HEPES:NaOH, pH7.5, 25% PEG 3350

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-BM / Wavelength: 1 Å
Detector	Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Aug 7, 2017
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.95→50 Å / Num. obs: 68692 / % possible obs: 93.1 % / Redundancy: 3.1 % / Net I/σ(I): 6.43
Reflection shell	Resolution: 2.95→3.06 Å

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0158	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4LN6

4ln6

Resolution: 2.95→50 Å / Cor.coef. F_o:F_c: 0.902 / Cor.coef. F_o:F_c free: 0.877 / SU B: 51.077 / SU ML: 0.401 / Cross valid method: THROUGHOUT / ESU R Free: 0.474 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.26703	3659	5.1 %	RANDOM
R_work	0.2363	-	-	-
obs	0.23783	68692	93.14 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å

Displacement parameters

B_iso mean: 66.234 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.62 Å²	0 Å²	0.98 Å²
2-	-	-4.06 Å²	0 Å²
3-	-	-	2.27 Å²

Refinement step

Cycle: 1 / Resolution: 2.95→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	22800	0	140	0	22940

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.015	0.019	23394
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	21003
X-RAY DIFFRACTION	r_angle_refined_deg	1.896	1.944	31612
X-RAY DIFFRACTION	r_angle_other_deg	1.067	3	48835
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.598	5	2910
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	38.648	24.456	1158
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	20.011	15	4008
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	14.856	15	168
X-RAY DIFFRACTION	r_chiral_restr	0.102	0.2	3418
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.02	26422
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	4823
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
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	2.514	4.149	11676
X-RAY DIFFRACTION	r_mcbond_other	2.514	4.15	11675
X-RAY DIFFRACTION	r_mcangle_it	4.151	6.224	14574
X-RAY DIFFRACTION	r_mcangle_other	4.151	6.224	14575
X-RAY DIFFRACTION	r_scbond_it	2.498	4.344	11718
X-RAY DIFFRACTION	r_scbond_other	2.498	4.345	11719
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	4.142	6.433	17039
X-RAY DIFFRACTION	r_long_range_B_refined	6.253	47.343	25276
X-RAY DIFFRACTION	r_long_range_B_other	6.253	47.345	25277
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 / Type: interatomic distance / Weight position: 0.05

Ens-ID	Dom-ID	Auth asym-ID	Number	Rms dev position (Å)
1	1	A	19892	0.02
1	2	C	19892	0.02
2	1	A	19848	0.02
2	2	E	19848	0.02
3	1	A	19890	0.01
3	2	G	19890	0.01
4	1	A	19782	0.02
4	2	I	19782	0.02
5	1	A	19786	0.02
5	2	K	19786	0.02
6	1	B	10936	0.01
6	2	D	10936	0.01
7	1	B	10934	0.01
7	2	F	10934	0.01
8	1	B	10944	0.01
8	2	H	10944	0.01
9	1	B	10932	0.01
9	2	J	10932	0.01
10	1	B	10958	0.01
10	2	L	10958	0.01
11	1	C	19874	0.02
11	2	E	19874	0.02
12	1	C	19876	0.01
12	2	G	19876	0.01
13	1	C	19846	0.02
13	2	I	19846	0.02
14	1	C	19826	0.02
14	2	K	19826	0.02
15	1	D	10926	0.01
15	2	F	10926	0.01
16	1	D	10932	0.01
16	2	H	10932	0.01
17	1	D	10924	0.01
17	2	J	10924	0.01
18	1	D	10924	0.01
18	2	L	10924	0.01
19	1	E	19858	0.01
19	2	G	19858	0.01
20	1	E	19822	0.02
20	2	I	19822	0.02
21	1	E	19838	0.01
21	2	K	19838	0.01
22	1	F	10942	0.01
22	2	H	10942	0.01
23	1	F	10922	0.01
23	2	J	10922	0.01
24	1	F	10938	0.01
24	2	L	10938	0.01
25	1	G	19824	0.02
25	2	I	19824	0.02
26	1	G	19822	0.01
26	2	K	19822	0.01
27	1	H	10928	0.01
27	2	J	10928	0.01
28	1	H	10954	0.01
28	2	L	10954	0.01
29	1	I	19848	0.02
29	2	K	19848	0.02
30	1	J	10926	0.01
30	2	L	10926	0.01

LS refinement shell

Resolution: 2.95→3.026 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.388	206	-
R_work	0.318	3724	-
obs	-	-	69.55 %

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	0.0077	-0.0391	-0.0635	0.4598	0.4847	1.1081	0.0175	0.0148	-0.0013	0.0952	0.0008	-0.0326	0.129	-0.0151	-0.0182	0.29	0.0025	0.0175	0.37	0.0166	0.0821	-30.3824	-29.7369	-7.0109
2	0.1334	0.1231	0.4083	0.4954	0.3604	1.5051	0.1391	0.0534	-0.0199	0.2704	-0.1274	-0.1605	0.3489	-0.0526	-0.0117	0.5769	-0.1319	-0.0659	0.3894	0.0117	0.0639	-31.3773	-21.0884	42.4924
3	0.1027	0.1434	-0.2264	0.2665	-0.1533	1.03	-0.0126	0.018	-0.0954	0.0613	-0.0896	-0.162	0.1459	-0.2234	0.1022	0.2778	-0.0652	-0.0034	0.3822	0.0048	0.1114	-11.0262	-71.0863	92.7206
4	0.0276	0.0096	-0.211	0.0506	0.0298	1.8941	-0.0119	0.0039	0.0183	-0.0047	0.0431	0.0446	0.0573	-0.0741	-0.0312	0.2973	-0.0276	0.0077	0.4222	-0.0417	0.0592	-5.7525	-65.527	42.5346
5	0.092	0.0522	-0.2542	0.1625	0.0948	1.2027	0.043	-0.0258	-0.0097	-0.0117	-0.0226	-0.0632	-0.1392	0.0004	-0.0204	0.3285	-0.0328	0.0353	0.3415	0.0071	0.0787	-20.6026	1.0997	-8.0287
6	0.1181	0.1247	0.156	0.2266	0.2315	1.4573	0.1478	-0.0196	0.0388	0.0383	-0.0648	0.0623	-0.0363	-0.1505	-0.083	0.4025	-0.1076	0.0633	0.4131	-0.0633	0.0452	-30.2212	-0.4707	41.7586
7	0.3599	-0.4273	-0.3673	0.6675	0.1616	2.0877	-0.179	-0.0173	-0.2669	0.1996	0.0942	0.3438	-0.399	0.0708	0.0848	0.4039	0.0247	0.1909	0.3015	0.0099	0.217	-0.6557	-40.5814	92.162
8	0.1176	0.0119	-0.3397	0.1596	-0.101	1.0782	0.0822	-0.0223	0.035	-0.0317	-0.0171	-0.0365	-0.1871	-0.068	-0.065	0.318	0.0168	0.0318	0.3648	0.0048	0.0831	5.4946	-47.9244	42.9318
9	0.3315	-0.0561	-0.3616	0.2763	-0.0252	0.995	0.2197	0.0525	0.1259	-0.0791	-0.2683	-0.0752	-0.0061	-0.1214	0.0486	0.3887	0.0801	0.0808	0.357	0.0124	0.1391	-51.9913	-6.3587	-9.1876
10	0.0933	0.1023	-0.0374	0.2979	0.2019	1.8802	0.1263	-0.0264	0.047	0.1332	-0.2366	0.0973	0.3155	-0.2906	0.1103	0.39	-0.2133	0.0964	0.4718	-0.0898	0.0404	-48.8547	-9.7224	41.117
11	0.1745	0.151	0.3162	0.198	0.5088	3.1955	0.0124	-0.0739	0.0104	-0.0059	-0.1111	-0.0208	0.2093	0.2283	0.0987	0.2559	0.0234	-0.0372	0.3501	0.0083	0.1083	20.224	-64.9648	94.2421
12	0.1305	-0.0951	-0.5196	0.1475	0.5709	2.5588	-0.0423	-0.0428	-0.046	0.0229	0.0141	-0.0303	0.1282	0.0555	0.0282	0.309	0.0135	0.0763	0.3539	-0.0057	0.095	15.0184	-66.3985	43.8617

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 316
2	X-RAY DIFFRACTION	2	B	1 - 171
3	X-RAY DIFFRACTION	3	C	1 - 316
4	X-RAY DIFFRACTION	4	D	1 - 171
5	X-RAY DIFFRACTION	5	E	1 - 316
6	X-RAY DIFFRACTION	6	F	1 - 171
7	X-RAY DIFFRACTION	7	G	1 - 316
8	X-RAY DIFFRACTION	8	H	1 - 171
9	X-RAY DIFFRACTION	9	I	1 - 316
10	X-RAY DIFFRACTION	10	J	1 - 171
11	X-RAY DIFFRACTION	11	K	1 - 316
12	X-RAY DIFFRACTION	12	L	1 - 171

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