PDB-4wsx: The crystal structure of hemagglutinin from A/Jiangxi-Donghu/346/...

ID or keywords:

Entry

Database: PDB / ID: 4wsx

Title

The crystal structure of hemagglutinin from A/Jiangxi-Donghu/346/2013 influenza virus

Components

Hemagglutinin HA1 chain
Hemagglutinin HA2 chain

Keywords

VIRAL PROTEIN / Hemagglutinin / influenza virus / H10

Function / homology

Function and homology information

clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / endocytosis involved in viral entry into host cell / 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 / membrane
Similarity search - Function

Biological species

Influenza A virus

Method

X-RAY DIFFRACTION /

SYNCHROTRON / Resolution: 2.7 Å

Authors

Yang, H. / Carney, P.J. / Chang, J.C. / Villanueva, J.M. / Stevens, J.

Citation

Journal: J.Virol. / Year: 2015
Title: Structure and receptor binding preferences of recombinant hemagglutinins from avian and human h6 and h10 influenza a virus subtypes.
Authors: Yang, H. / Carney, P.J. / Chang, J.C. / Villanueva, J.M. / Stevens, J.

History

Deposition	Oct 28, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 25, 2015	Provider: repository / Type: Initial release
Revision 1.1	Apr 1, 2015	Group: Database references
Revision 1.2	Jul 29, 2020	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Source and taxonomy / Structure summary Category: chem_comp / citation ...chem_comp / citation / entity / entity_src_gen / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / pdbx_struct_oper_list / struct_conn / struct_site / struct_site_gen Item: _chem_comp.name / _chem_comp.type ..._chem_comp.name / _chem_comp.type / _citation.journal_id_CSD / _entity.pdbx_description / _entity_src_gen.pdbx_alt_source_flag / _pdbx_entity_nonpoly.name / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_assembly_prop.type / _pdbx_struct_assembly_prop.value / _pdbx_struct_oper_list.symmetry_operation / _struct_conn.pdbx_role Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 1.3	Dec 27, 2023	Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / 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
Revision 1.4	Nov 6, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	4wsx.cif.gz	2.2 MB	Display	PDBx/mmCIF format
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Validation report

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

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Related structure data

Related structure data	4wsrC 4wssC 4wstC 4wsuC 4wsvC 4wswC C: citing same article (ref.)
Similar structure data	4xq5-d 4qy1-4 6d7c-2 6ty1-2 6tjy-1 5vjm-1 6id3-1 6tvd-1 4cyv-d 4qy1-1 5thf-d 6txo-d 6n4f-1 3m5j-d 5thc-d 4lkg-2 4cz0-d 6d7u-d 6idb-1 6icx-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) 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

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 (6) #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

M: Hemagglutinin HA1 chain

N: Hemagglutinin HA2 chain

O: Hemagglutinin HA1 chain

P: Hemagglutinin HA2 chain

Q: Hemagglutinin HA1 chain

R: Hemagglutinin HA2 chain

S: Hemagglutinin HA1 chain

T: Hemagglutinin HA2 chain

U: Hemagglutinin HA1 chain

V: Hemagglutinin HA2 chain

W: Hemagglutinin HA1 chain

X: Hemagglutinin HA2 chain

hetero molecules

674 kDa, 24 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Hemagglutinin HA1 chain

B: Hemagglutinin HA2 chain

O: Hemagglutinin HA1 chain

P: Hemagglutinin HA2 chain

W: Hemagglutinin HA1 chain

X: Hemagglutinin HA2 chain

hetero molecules

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

2

C: Hemagglutinin HA1 chain

D: Hemagglutinin HA2 chain

M: Hemagglutinin HA1 chain

N: Hemagglutinin HA2 chain

U: Hemagglutinin HA1 chain

V: Hemagglutinin HA2 chain

hetero molecules

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

3

E: Hemagglutinin HA1 chain

F: Hemagglutinin HA2 chain

K: Hemagglutinin HA1 chain

L: Hemagglutinin HA2 chain

S: Hemagglutinin HA1 chain

T: Hemagglutinin HA2 chain

hetero molecules

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

4

G: Hemagglutinin HA1 chain

H: Hemagglutinin HA2 chain

I: Hemagglutinin HA1 chain

J: Hemagglutinin HA2 chain

Q: Hemagglutinin HA1 chain

R: Hemagglutinin HA2 chain

hetero molecules

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

Unit cell

Length a, b, c (Å)	217.395, 217.612, 146.266
Angle α, β, γ (deg.)	90.00, 89.98, 90.00
Int Tables number	5
Space group name H-M	C121

Components on special symmetry positions

ID	Model	Components
1	1	N-171- LEU

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: _ / Beg auth comp-ID: GLY / Beg label comp-ID: GLY / Refine code: _

Dom-ID	Ens-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	GLU	GLU	A	A	0 - 318	4 - 322
2	1	GLU	GLU	C	C	0 - 318	4 - 322
1	2	GLU	GLU	A	A	0 - 318	4 - 322
2	2	GLU	GLU	E	E	0 - 318	4 - 322
1	3	GLU	GLU	A	A	0 - 318	4 - 322
2	3	GLU	GLU	G	G	0 - 318	4 - 322
1	4	GLU	GLU	A	A	0 - 318	4 - 322
2	4	GLU	GLU	I	I	0 - 318	4 - 322
1	5	GLU	GLU	A	A	0 - 318	4 - 322
2	5	GLU	GLU	K	K	0 - 318	4 - 322
1	6	GLU	GLU	A	A	0 - 318	4 - 322
2	6	GLU	GLU	M	M	0 - 318	4 - 322
1	7	GLU	GLU	A	A	0 - 318	4 - 322
2	7	GLU	GLU	O	O	0 - 318	4 - 322
1	8	GLU	GLU	A	A	0 - 318	4 - 322
2	8	GLU	GLU	Q	Q	0 - 318	4 - 322
1	9	GLU	GLU	A	A	0 - 318	4 - 322
2	9	GLU	GLU	S	S	0 - 318	4 - 322
1	10	GLU	GLU	A	A	0 - 318	4 - 322
2	10	GLU	GLU	U	U	0 - 318	4 - 322
1	11	GLU	GLU	A	A	0 - 318	4 - 322
2	11	GLU	GLU	W	W	0 - 318	4 - 322
1	12	ASN	ASN	B	B	1 - 172	1 - 172
2	12	ASN	ASN	D	D	1 - 172	1 - 172
1	13	ASN	ASN	B	B	1 - 172	1 - 172
2	13	ASN	ASN	F	F	1 - 172	1 - 172
1	14	ASN	ASN	B	B	1 - 172	1 - 172
2	14	ASN	ASN	H	H	1 - 172	1 - 172
1	15	ASN	ASN	B	B	1 - 172	1 - 172
2	15	ASN	ASN	J	J	1 - 172	1 - 172
1	16	ASN	ASN	B	B	1 - 172	1 - 172
2	16	ASN	ASN	L	L	1 - 172	1 - 172
1	17	ASN	ASN	B	B	1 - 172	1 - 172
2	17	ASN	ASN	N	N	1 - 172	1 - 172
1	18	ASN	ASN	B	B	1 - 172	1 - 172
2	18	ASN	ASN	P	P	1 - 172	1 - 172
1	19	ASN	ASN	B	B	1 - 172	1 - 172
2	19	ASN	ASN	R	R	1 - 172	1 - 172
1	20	ASN	ASN	B	B	1 - 172	1 - 172
2	20	ASN	ASN	T	T	1 - 172	1 - 172
1	21	ASN	ASN	B	B	1 - 172	1 - 172
2	21	ASN	ASN	V	V	1 - 172	1 - 172
1	22	ASN	ASN	B	B	1 - 172	1 - 172
2	22	ASN	ASN	X	X	1 - 172	1 - 172
1	23	GLU	GLU	C	C	0 - 318	4 - 322
2	23	GLU	GLU	E	E	0 - 318	4 - 322
1	24	GLU	GLU	C	C	0 - 318	4 - 322
2	24	GLU	GLU	G	G	0 - 318	4 - 322
1	25	GLU	GLU	C	C	0 - 318	4 - 322
2	25	GLU	GLU	I	I	0 - 318	4 - 322
1	26	GLU	GLU	C	C	0 - 318	4 - 322
2	26	GLU	GLU	K	K	0 - 318	4 - 322
1	27	GLU	GLU	C	C	0 - 318	4 - 322
2	27	GLU	GLU	M	M	0 - 318	4 - 322
1	28	GLU	GLU	C	C	0 - 318	4 - 322
2	28	GLU	GLU	O	O	0 - 318	4 - 322
1	29	GLU	GLU	C	C	0 - 318	4 - 322
2	29	GLU	GLU	Q	Q	0 - 318	4 - 322
1	30	GLU	GLU	C	C	0 - 318	4 - 322
2	30	GLU	GLU	S	S	0 - 318	4 - 322
1	31	GLU	GLU	C	C	0 - 318	4 - 322
2	31	GLU	GLU	U	U	0 - 318	4 - 322
1	32	GLU	GLU	C	C	0 - 318	4 - 322
2	32	GLU	GLU	W	W	0 - 318	4 - 322
1	33	ASN	ASN	D	D	1 - 172	1 - 172
2	33	ASN	ASN	F	F	1 - 172	1 - 172
1	34	ASN	ASN	D	D	1 - 172	1 - 172
2	34	ASN	ASN	H	H	1 - 172	1 - 172
1	35	ASN	ASN	D	D	1 - 172	1 - 172
2	35	ASN	ASN	J	J	1 - 172	1 - 172
1	36	ASN	ASN	D	D	1 - 172	1 - 172
2	36	ASN	ASN	L	L	1 - 172	1 - 172
1	37	ASN	ASN	D	D	1 - 172	1 - 172
2	37	ASN	ASN	N	N	1 - 172	1 - 172
1	38	ASN	ASN	D	D	1 - 172	1 - 172
2	38	ASN	ASN	P	P	1 - 172	1 - 172
1	39	ASN	ASN	D	D	1 - 172	1 - 172
2	39	ASN	ASN	R	R	1 - 172	1 - 172
1	40	ASN	ASN	D	D	1 - 172	1 - 172
2	40	ASN	ASN	T	T	1 - 172	1 - 172
1	41	ASN	ASN	D	D	1 - 172	1 - 172
2	41	ASN	ASN	V	V	1 - 172	1 - 172
1	42	ASN	ASN	D	D	1 - 172	1 - 172
2	42	ASN	ASN	X	X	1 - 172	1 - 172
1	43	GLU	GLU	E	E	0 - 318	4 - 322
2	43	GLU	GLU	G	G	0 - 318	4 - 322
1	44	GLU	GLU	E	E	0 - 318	4 - 322
2	44	GLU	GLU	I	I	0 - 318	4 - 322
1	45	GLU	GLU	E	E	0 - 318	4 - 322
2	45	GLU	GLU	K	K	0 - 318	4 - 322
1	46	GLU	GLU	E	E	0 - 318	4 - 322
2	46	GLU	GLU	M	M	0 - 318	4 - 322
1	47	GLU	GLU	E	E	0 - 318	4 - 322
2	47	GLU	GLU	O	O	0 - 318	4 - 322
1	48	GLU	GLU	E	E	0 - 318	4 - 322
2	48	GLU	GLU	Q	Q	0 - 318	4 - 322
1	49	GLU	GLU	E	E	0 - 318	4 - 322
2	49	GLU	GLU	S	S	0 - 318	4 - 322
1	50	GLU	GLU	E	E	0 - 318	4 - 322
2	50	GLU	GLU	U	U	0 - 318	4 - 322
1	51	GLU	GLU	E	E	0 - 318	4 - 322
2	51	GLU	GLU	W	W	0 - 318	4 - 322
1	52	ASN	ASN	F	F	1 - 172	1 - 172
2	52	ASN	ASN	H	H	1 - 172	1 - 172
1	53	ASN	ASN	F	F	1 - 172	1 - 172
2	53	ASN	ASN	J	J	1 - 172	1 - 172
1	54	ASN	ASN	F	F	1 - 172	1 - 172
2	54	ASN	ASN	L	L	1 - 172	1 - 172
1	55	ASN	ASN	F	F	1 - 172	1 - 172
2	55	ASN	ASN	N	N	1 - 172	1 - 172
1	56	ASN	ASN	F	F	1 - 172	1 - 172
2	56	ASN	ASN	P	P	1 - 172	1 - 172
1	57	ASN	ASN	F	F	1 - 172	1 - 172
2	57	ASN	ASN	R	R	1 - 172	1 - 172
1	58	ASN	ASN	F	F	1 - 172	1 - 172
2	58	ASN	ASN	T	T	1 - 172	1 - 172
1	59	ASN	ASN	F	F	1 - 172	1 - 172
2	59	ASN	ASN	V	V	1 - 172	1 - 172
1	60	ASN	ASN	F	F	1 - 172	1 - 172
2	60	ASN	ASN	X	X	1 - 172	1 - 172
1	61	GLU	GLU	G	G	0 - 318	4 - 322
2	61	GLU	GLU	I	I	0 - 318	4 - 322
1	62	GLU	GLU	G	G	0 - 318	4 - 322
2	62	GLU	GLU	K	K	0 - 318	4 - 322
1	63	GLU	GLU	G	G	0 - 318	4 - 322
2	63	GLU	GLU	M	M	0 - 318	4 - 322
1	64	GLU	GLU	G	G	0 - 318	4 - 322
2	64	GLU	GLU	O	O	0 - 318	4 - 322
1	65	GLU	GLU	G	G	0 - 318	4 - 322
2	65	GLU	GLU	Q	Q	0 - 318	4 - 322
1	66	GLU	GLU	G	G	0 - 318	4 - 322
2	66	GLU	GLU	S	S	0 - 318	4 - 322
1	67	GLU	GLU	G	G	0 - 318	4 - 322
2	67	GLU	GLU	U	U	0 - 318	4 - 322
1	68	GLU	GLU	G	G	0 - 318	4 - 322
2	68	GLU	GLU	W	W	0 - 318	4 - 322
1	69	ASN	ASN	H	H	1 - 172	1 - 172
2	69	ASN	ASN	J	J	1 - 172	1 - 172
1	70	ASN	ASN	H	H	1 - 172	1 - 172
2	70	ASN	ASN	L	L	1 - 172	1 - 172
1	71	ASN	ASN	H	H	1 - 172	1 - 172
2	71	ASN	ASN	N	N	1 - 172	1 - 172
1	72	ASN	ASN	H	H	1 - 172	1 - 172
2	72	ASN	ASN	P	P	1 - 172	1 - 172
1	73	ASN	ASN	H	H	1 - 172	1 - 172
2	73	ASN	ASN	R	R	1 - 172	1 - 172
1	74	ASN	ASN	H	H	1 - 172	1 - 172
2	74	ASN	ASN	T	T	1 - 172	1 - 172
1	75	ASN	ASN	H	H	1 - 172	1 - 172
2	75	ASN	ASN	V	V	1 - 172	1 - 172
1	76	ASN	ASN	H	H	1 - 172	1 - 172
2	76	ASN	ASN	X	X	1 - 172	1 - 172
1	77	GLU	GLU	I	I	0 - 318	4 - 322
2	77	GLU	GLU	K	K	0 - 318	4 - 322
1	78	GLU	GLU	I	I	0 - 318	4 - 322
2	78	GLU	GLU	M	M	0 - 318	4 - 322
1	79	GLU	GLU	I	I	0 - 318	4 - 322
2	79	GLU	GLU	O	O	0 - 318	4 - 322
1	80	GLU	GLU	I	I	0 - 318	4 - 322
2	80	GLU	GLU	Q	Q	0 - 318	4 - 322
1	81	GLU	GLU	I	I	0 - 318	4 - 322
2	81	GLU	GLU	S	S	0 - 318	4 - 322
1	82	GLU	GLU	I	I	0 - 318	4 - 322
2	82	GLU	GLU	U	U	0 - 318	4 - 322
1	83	GLU	GLU	I	I	0 - 318	4 - 322
2	83	GLU	GLU	W	W	0 - 318	4 - 322
1	84	ASN	ASN	J	J	1 - 172	1 - 172
2	84	ASN	ASN	L	L	1 - 172	1 - 172
1	85	ASN	ASN	J	J	1 - 172	1 - 172
2	85	ASN	ASN	N	N	1 - 172	1 - 172
1	86	ASN	ASN	J	J	1 - 172	1 - 172
2	86	ASN	ASN	P	P	1 - 172	1 - 172
1	87	ASN	ASN	J	J	1 - 172	1 - 172
2	87	ASN	ASN	R	R	1 - 172	1 - 172
1	88	ASN	ASN	J	J	1 - 172	1 - 172
2	88	ASN	ASN	T	T	1 - 172	1 - 172
1	89	ASN	ASN	J	J	1 - 172	1 - 172
2	89	ASN	ASN	V	V	1 - 172	1 - 172
1	90	ASN	ASN	J	J	1 - 172	1 - 172
2	90	ASN	ASN	X	X	1 - 172	1 - 172
1	91	GLU	GLU	K	K	0 - 318	4 - 322
2	91	GLU	GLU	M	M	0 - 318	4 - 322
1	92	GLU	GLU	K	K	0 - 318	4 - 322
2	92	GLU	GLU	O	O	0 - 318	4 - 322
1	93	GLU	GLU	K	K	0 - 318	4 - 322
2	93	GLU	GLU	Q	Q	0 - 318	4 - 322
1	94	GLU	GLU	K	K	0 - 318	4 - 322
2	94	GLU	GLU	S	S	0 - 318	4 - 322
1	95	GLU	GLU	K	K	0 - 318	4 - 322
2	95	GLU	GLU	U	U	0 - 318	4 - 322
1	96	GLU	GLU	K	K	0 - 318	4 - 322
2	96	GLU	GLU	W	W	0 - 318	4 - 322
1	97	ASN	ASN	L	L	1 - 172	1 - 172
2	97	ASN	ASN	N	N	1 - 172	1 - 172
1	98	ASN	ASN	L	L	1 - 172	1 - 172
2	98	ASN	ASN	P	P	1 - 172	1 - 172
1	99	ASN	ASN	L	L	1 - 172	1 - 172
2	99	ASN	ASN	R	R	1 - 172	1 - 172
1	100	ASN	ASN	L	L	1 - 172	1 - 172
2	100	ASN	ASN	T	T	1 - 172	1 - 172
1	101	ASN	ASN	L	L	1 - 172	1 - 172
2	101	ASN	ASN	V	V	1 - 172	1 - 172
1	102	ASN	ASN	L	L	1 - 172	1 - 172
2	102	ASN	ASN	X	X	1 - 172	1 - 172
1	103	GLU	GLU	M	M	0 - 318	4 - 322
2	103	GLU	GLU	O	O	0 - 318	4 - 322
1	104	GLU	GLU	M	M	0 - 318	4 - 322
2	104	GLU	GLU	Q	Q	0 - 318	4 - 322
1	105	GLU	GLU	M	M	0 - 318	4 - 322
2	105	GLU	GLU	S	S	0 - 318	4 - 322
1	106	GLU	GLU	M	M	0 - 318	4 - 322
2	106	GLU	GLU	U	U	0 - 318	4 - 322
1	107	GLU	GLU	M	M	0 - 318	4 - 322
2	107	GLU	GLU	W	W	0 - 318	4 - 322
1	108	ASN	ASN	N	N	1 - 172	1 - 172
2	108	ASN	ASN	P	P	1 - 172	1 - 172
1	109	ASN	ASN	N	N	1 - 172	1 - 172
2	109	ASN	ASN	R	R	1 - 172	1 - 172
1	110	ASN	ASN	N	N	1 - 172	1 - 172
2	110	ASN	ASN	T	T	1 - 172	1 - 172
1	111	ASN	ASN	N	N	1 - 172	1 - 172
2	111	ASN	ASN	V	V	1 - 172	1 - 172
1	112	ASN	ASN	N	N	1 - 172	1 - 172
2	112	ASN	ASN	X	X	1 - 172	1 - 172
1	113	GLU	GLU	O	O	0 - 318	4 - 322
2	113	GLU	GLU	Q	Q	0 - 318	4 - 322
1	114	GLU	GLU	O	O	0 - 318	4 - 322
2	114	GLU	GLU	S	S	0 - 318	4 - 322
1	115	GLU	GLU	O	O	0 - 318	4 - 322
2	115	GLU	GLU	U	U	0 - 318	4 - 322
1	116	GLU	GLU	O	O	0 - 318	4 - 322
2	116	GLU	GLU	W	W	0 - 318	4 - 322
1	117	ASN	ASN	P	P	1 - 172	1 - 172
2	117	ASN	ASN	R	R	1 - 172	1 - 172
1	118	ASN	ASN	P	P	1 - 172	1 - 172
2	118	ASN	ASN	T	T	1 - 172	1 - 172
1	119	ASN	ASN	P	P	1 - 172	1 - 172
2	119	ASN	ASN	V	V	1 - 172	1 - 172
1	120	ASN	ASN	P	P	1 - 172	1 - 172
2	120	ASN	ASN	X	X	1 - 172	1 - 172
1	121	GLU	GLU	Q	Q	0 - 318	4 - 322
2	121	GLU	GLU	S	S	0 - 318	4 - 322
1	122	GLU	GLU	Q	Q	0 - 318	4 - 322
2	122	GLU	GLU	U	U	0 - 318	4 - 322
1	123	GLU	GLU	Q	Q	0 - 318	4 - 322
2	123	GLU	GLU	W	W	0 - 318	4 - 322
1	124	ASN	ASN	R	R	1 - 172	1 - 172
2	124	ASN	ASN	T	T	1 - 172	1 - 172
1	125	ASN	ASN	R	R	1 - 172	1 - 172
2	125	ASN	ASN	V	V	1 - 172	1 - 172
1	126	ASN	ASN	R	R	1 - 172	1 - 172
2	126	ASN	ASN	X	X	1 - 172	1 - 172
1	127	GLU	GLU	S	S	0 - 318	4 - 322
2	127	GLU	GLU	U	U	0 - 318	4 - 322
1	128	GLU	GLU	S	S	0 - 318	4 - 322
2	128	GLU	GLU	W	W	0 - 318	4 - 322
1	129	ASN	ASN	T	T	1 - 172	1 - 172
2	129	ASN	ASN	V	V	1 - 172	1 - 172
1	130	ASN	ASN	T	T	1 - 172	1 - 172
2	130	ASN	ASN	X	X	1 - 172	1 - 172
1	131	GLU	GLU	U	U	0 - 318	4 - 322
2	131	GLU	GLU	W	W	0 - 318	4 - 322
1	132	ASN	ASN	V	V	1 - 172	1 - 172
2	132	ASN	ASN	X	X	1 - 172	1 - 172

NCS ensembles :

#1: Protein

Hemagglutinin HA1 chain

Mass: 35739.312 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Influenza A virus / Strain: A/Jiangxi-Donghu/346/2013 / Production host:

Trichoplusia ni (cabbage looper) / References: UniProt: A0A0J9X252*PLUS

#2: Protein

Hemagglutinin HA2 chain

Mass: 19987.896 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Influenza A virus / Strain: A/Jiangxi-Donghu/346/2013 / Production host:

Trichoplusia ni (cabbage looper) / References: UniProt: A0A0J9X253*PLUS

#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.: 24 / Source method: obtained synthetically / 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

Has protein modification

Y

-
Experiment

Experiment	Method: X-RAY DIFFRACTION

-
Sample preparation

Crystal	Density Matthews: 2.59 Å³/Da / Density % sol: 52.45 %
Crystal grow	Temperature: 293 K / Method: microbatch Details: 0.2M potassium sodium tartrate and 20% (w/v) PEG 3350

-
Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
Detector	Type: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Jun 28, 2014
Radiation	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 / Num. obs: 185693 / % possible obs: 100 % / Redundancy: 3.9 % / Net I/σ(I): 18.2

-
Processing

Software

Name	Version	Classification
REFMAC	5.8.0049	refinement
HKL-2000		data reduction
SCALEPACK		data scaling
PHASER		phasing

Refinement

Resolution: 2.7→48.76 Å / Cor.coef. F_o:F_c: 0.922 / Cor.coef. F_o:F_c free: 0.913 / SU B: 48.539 / SU ML: 0.412 / Cross valid method: THROUGHOUT / ESU R Free: 0.374 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.26578	9317	5 %	RANDOM
R_work	0.24328	-	-	-
obs	0.24441	176374	99.94 %	-

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: 85.67 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.32 Å²	0 Å²	-0.04 Å²
2-	-	-1.03 Å²	0 Å²
3-	-	-	2.35 Å²

Refinement step

Cycle: LAST / Resolution: 2.7→48.76 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	45924	0	336	0	46260

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.012	0.019	47244
X-RAY DIFFRACTION	r_bond_other_d	0.006	0.02	43512
X-RAY DIFFRACTION	r_angle_refined_deg	1.51	1.937	63972
X-RAY DIFFRACTION	r_angle_other_deg	0.976	3	99816
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.34	5	5868
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	34.039	24.615	2340
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	18.42	15	7944
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	15.963	15	312
X-RAY DIFFRACTION	r_chiral_restr	0.084	0.2	6948
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.02	54828
X-RAY DIFFRACTION	r_gen_planes_other	0.005	0.02	11364
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	2.463	2.762	23544
X-RAY DIFFRACTION	r_mcbond_other	2.463	2.761	23543
X-RAY DIFFRACTION	r_mcangle_it	4.047	4.133	29388
X-RAY DIFFRACTION	r_mcangle_other	4.047	4.134	29389
X-RAY DIFFRACTION	r_scbond_it	2.946	3.033	23697
X-RAY DIFFRACTION	r_scbond_other	2.946	3.033	23697
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	4.87	4.427	34583
X-RAY DIFFRACTION	r_long_range_B_refined	7.501	21.928	52942
X-RAY DIFFRACTION	r_long_range_B_other	7.501	21.928	52942
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	18894	0
1	2	C	18894	0
2	1	A	18892	0
2	2	E	18892	0
3	1	A	18890	0
3	2	G	18890	0
4	1	A	18846	0.02
4	2	I	18846	0.02
5	1	A	18854	0.02
5	2	K	18854	0.02
6	1	A	18866	0.01
6	2	M	18866	0.01
7	1	A	18821	0.01
7	2	O	18821	0.01
8	1	A	18852	0.01
8	2	Q	18852	0.01
9	1	A	18846	0.01
9	2	S	18846	0.01
10	1	A	18851	0.01
10	2	U	18851	0.01
11	1	A	18851	0.02
11	2	W	18851	0.02
12	1	B	9242	0
12	2	D	9242	0
13	1	B	9243	0
13	2	F	9243	0
14	1	B	9243	0
14	2	H	9243	0
15	1	B	9184	0.03
15	2	J	9184	0.03
16	1	B	9188	0.03
16	2	L	9188	0.03
17	1	B	9229	0
17	2	N	9229	0
18	1	B	9236	0.01
18	2	P	9236	0.01
19	1	B	9238	0
19	2	R	9238	0
20	1	B	9237	0
20	2	T	9237	0
21	1	B	9239	0.01
21	2	V	9239	0.01
22	1	B	9227	0
22	2	X	9227	0
23	1	C	18898	0
23	2	E	18898	0
24	1	C	18891	0
24	2	G	18891	0
25	1	C	18850	0.02
25	2	I	18850	0.02
26	1	C	18859	0.02
26	2	K	18859	0.02
27	1	C	18871	0.01
27	2	M	18871	0.01
28	1	C	18825	0.01
28	2	O	18825	0.01
29	1	C	18857	0.01
29	2	Q	18857	0.01
30	1	C	18852	0.01
30	2	S	18852	0.01
31	1	C	18856	0.01
31	2	U	18856	0.01
32	1	C	18857	0.02
32	2	W	18857	0.02
33	1	D	9243	0
33	2	F	9243	0
34	1	D	9241	0
34	2	H	9241	0
35	1	D	9183	0.03
35	2	J	9183	0.03
36	1	D	9185	0.03
36	2	L	9185	0.03
37	1	D	9228	0
37	2	N	9228	0
38	1	D	9235	0.01
38	2	P	9235	0.01
39	1	D	9237	0.01
39	2	R	9237	0.01
40	1	D	9236	0.01
40	2	T	9236	0.01
41	1	D	9237	0.01
41	2	V	9237	0.01
42	1	D	9226	0
42	2	X	9226	0
43	1	E	18890	0
43	2	G	18890	0
44	1	E	18845	0.02
44	2	I	18845	0.02
45	1	E	18854	0.02
45	2	K	18854	0.02
46	1	E	18866	0.01
46	2	M	18866	0.01
47	1	E	18824	0.01
47	2	O	18824	0.01
48	1	E	18856	0.01
48	2	Q	18856	0.01
49	1	E	18850	0.01
49	2	S	18850	0.01
50	1	E	18856	0.01
50	2	U	18856	0.01
51	1	E	18851	0.02
51	2	W	18851	0.02
52	1	F	9242	0
52	2	H	9242	0
53	1	F	9186	0.03
53	2	J	9186	0.03
54	1	F	9188	0.03
54	2	L	9188	0.03
55	1	F	9230	0
55	2	N	9230	0
56	1	F	9236	0.01
56	2	P	9236	0.01
57	1	F	9237	0.01
57	2	R	9237	0.01
58	1	F	9236	0.01
58	2	T	9236	0.01
59	1	F	9239	0.01
59	2	V	9239	0.01
60	1	F	9228	0
60	2	X	9228	0
61	1	G	18849	0.02
61	2	I	18849	0.02
62	1	G	18856	0.02
62	2	K	18856	0.02
63	1	G	18868	0.01
63	2	M	18868	0.01
64	1	G	18822	0.01
64	2	O	18822	0.01
65	1	G	18855	0.01
65	2	Q	18855	0.01
66	1	G	18848	0.01
66	2	S	18848	0.01
67	1	G	18853	0.01
67	2	U	18853	0.01
68	1	G	18853	0.02
68	2	W	18853	0.02
69	1	H	9182	0.03
69	2	J	9182	0.03
70	1	H	9186	0.03
70	2	L	9186	0.03
71	1	H	9227	0
71	2	N	9227	0
72	1	H	9234	0.01
72	2	P	9234	0.01
73	1	H	9236	0.01
73	2	R	9236	0.01
74	1	H	9235	0.01
74	2	T	9235	0.01
75	1	H	9236	0.01
75	2	V	9236	0.01
76	1	H	9225	0
76	2	X	9225	0
77	1	I	18860	0.02
77	2	K	18860	0.02
78	1	I	18873	0.02
78	2	M	18873	0.02
79	1	I	18826	0.02
79	2	O	18826	0.02
80	1	I	18837	0.02
80	2	Q	18837	0.02
81	1	I	18837	0.02
81	2	S	18837	0.02
82	1	I	18840	0.02
82	2	U	18840	0.02
83	1	I	18860	0.02
83	2	W	18860	0.02
84	1	J	9219	0
84	2	L	9219	0
85	1	J	9190	0.03
85	2	N	9190	0.03
86	1	J	9186	0.03
86	2	P	9186	0.03
87	1	J	9186	0.03
87	2	R	9186	0.03
88	1	J	9183	0.03
88	2	T	9183	0.03
89	1	J	9187	0.03
89	2	V	9187	0.03
90	1	J	9190	0.03
90	2	X	9190	0.03
91	1	K	18881	0.01
91	2	M	18881	0.01
92	1	K	18822	0.01
92	2	O	18822	0.01
93	1	K	18855	0.01
93	2	Q	18855	0.01
94	1	K	18850	0.01
94	2	S	18850	0.01
95	1	K	18854	0.01
95	2	U	18854	0.01
96	1	K	18874	0
96	2	W	18874	0
97	1	L	9193	0.03
97	2	N	9193	0.03
98	1	L	9187	0.03
98	2	P	9187	0.03
99	1	L	9187	0.03
99	2	R	9187	0.03
100	1	L	9185	0.03
100	2	T	9185	0.03
101	1	L	9188	0.03
101	2	V	9188	0.03
102	1	L	9192	0.03
102	2	X	9192	0.03
103	1	M	18829	0.02
103	2	O	18829	0.02
104	1	M	18857	0.01
104	2	Q	18857	0.01
105	1	M	18855	0.01
105	2	S	18855	0.01
106	1	M	18859	0.01
106	2	U	18859	0.01
107	1	M	18879	0.01
107	2	W	18879	0.01
108	1	N	9229	0
108	2	P	9229	0
109	1	N	9229	0
109	2	R	9229	0
110	1	N	9227	0
110	2	T	9227	0
111	1	N	9230	0
111	2	V	9230	0
112	1	N	9233	0
112	2	X	9233	0
113	1	O	18847	0.01
113	2	Q	18847	0.01
114	1	O	18845	0.01
114	2	S	18845	0.01
115	1	O	18847	0.01
115	2	U	18847	0.01
116	1	O	18824	0.01
116	2	W	18824	0.01
117	1	P	9253	0
117	2	R	9253	0
118	1	P	9252	0
118	2	T	9252	0
119	1	P	9253	0
119	2	V	9253	0
120	1	P	9226	0
120	2	X	9226	0
121	1	Q	18872	0
121	2	S	18872	0
122	1	Q	18878	0
122	2	U	18878	0
123	1	Q	18849	0.01
123	2	W	18849	0.01
124	1	R	9253	0
124	2	T	9253	0
125	1	R	9256	0
125	2	V	9256	0
126	1	R	9227	0
126	2	X	9227	0
127	1	S	18879	0
127	2	U	18879	0
128	1	S	18851	0.01
128	2	W	18851	0.01
129	1	T	9253	0
129	2	V	9253	0
130	1	T	9225	0
130	2	X	9225	0
131	1	U	18854	0.01
131	2	W	18854	0.01
132	1	V	9228	0
132	2	X	9228	0

LS refinement shell

Resolution: 2.7→2.77 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.381	737	-
R_work	0.374	12908	-
obs	-	-	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	0.6087	0.1852	-0.1103	1.9347	-1.1434	0.6862	-0.0882	0.1718	-0.0818	0.028	0.0136	-0.1733	0.0413	-0.0494	0.0747	0.626	-0.0029	-0.0015	0.4521	0.1002	0.3346	29.8948	-6.7734	72.3119
2	1.6901	-0.1887	0.4166	2.2048	-2.1563	2.4065	-0.7387	1.0828	0.2007	0.3285	0.8597	0.1185	-0.0734	-0.7313	-0.121	0.7743	-0.3357	-0.0364	1.4938	0.5666	0.4498	23.6376	37.8737	47.2517
3	1.6795	-0.261	-1.0278	0.5745	0.1609	0.642	0.029	-0.0247	-0.1608	-0.1671	-0.0907	0.094	-0.0634	-0.0493	0.0617	0.4329	-0.0033	0.1274	0.6598	0.0095	0.3353	21.238	50.9203	108.8754
4	2.4862	0.3596	-2.5993	1.6952	-0.566	3.0249	0.8426	-0.3588	0.1054	-1.0246	-0.7378	-0.2544	-0.7854	0.0829	-0.1048	1.4463	0.3024	0.6144	0.8024	0.0368	0.4955	65.8641	57.1826	83.8329
5	1.6775	-0.2569	0.9961	0.5447	-0.1568	0.6028	0.0184	-0.0387	0.1453	-0.1671	-0.0732	-0.0904	0.0515	0.0408	0.0548	0.4355	-0.0054	-0.1214	0.6558	-0.0104	0.3397	87.5226	1.9061	35.745
6	2.5354	0.3236	2.581	1.5327	0.5336	2.9338	0.8531	-0.3119	-0.1194	-0.9355	-0.7083	0.2062	0.7715	-0.0548	-0.1447	1.366	0.3196	-0.5684	0.7672	-0.0584	0.4614	42.8878	-4.3555	10.6934
7	0.5564	0.1818	0.1015	1.858	1.1238	0.694	-0.0992	0.1541	0.0839	0.023	0.0252	0.1789	-0.0429	0.0687	0.0741	0.6266	0.0057	0.0221	0.4499	-0.1081	0.3452	78.8359	59.5987	-0.8292
8	1.5521	0.021	-0.2454	2.3753	2.2176	2.3578	-0.5812	0.9698	-0.2208	0.3093	0.7753	-0.1937	0.0597	0.5969	-0.1941	0.6816	-0.2245	0.0469	1.1899	-0.5586	0.4422	85.0836	14.9533	-25.8865
9	0.7478	-0.1258	0.5174	1.2548	1.0127	1.4125	0.1345	0.1045	-0.0162	0.6253	0.1821	-0.3014	0.4882	0.2833	-0.3166	0.8786	0.1185	-0.202	0.3246	-0.2041	0.313	96.6465	44.0168	21.4559
10	1.367	0.7141	0.6318	2.9236	1.3418	0.7891	0.1274	0.4283	-1.1135	1.1849	0.5483	-0.9327	0.3249	0.3134	-0.6758	0.9153	0.3801	-0.465	0.4422	-0.7201	1.362	91.7608	3.5905	-10.37
11	1.4586	0.1028	1.0637	0.752	-0.528	1.3197	0.1766	-0.6846	-0.3412	-0.1234	0.1374	0.0175	0.2626	-0.4874	-0.3141	0.3014	-0.1262	-0.2174	0.9223	0.2062	0.2983	71.9596	-15.9052	58.0327
12	2.656	-0.7652	1.1587	1.1621	-0.6147	0.6733	0.4969	-1.1801	-0.9911	-0.4003	0.189	1.0408	0.2855	-0.3138	-0.6859	0.4114	-0.365	-0.6968	0.9276	0.513	1.3548	31.5525	-11.0233	26.1991
13	1.3031	0.0714	-0.9534	0.7508	0.536	1.2228	0.1706	-0.641	0.3334	-0.1046	0.1531	-0.031	-0.2512	0.4514	-0.3237	0.3121	-0.1138	0.2303	0.8994	-0.2029	0.3131	36.8349	68.7288	131.1614
14	2.6339	-0.9336	-1.1868	1.2543	0.7752	0.731	0.5424	-1.2758	1.0141	-0.4769	0.2122	-1.1139	-0.3381	0.3718	-0.7546	0.4546	-0.3841	0.7618	0.9717	-0.5219	1.4134	77.1978	63.8724	99.3507
15	0.5072	-0.0631	0.0236	2.8438	-2.1021	1.6739	0.0333	0.0275	0.0665	0.7973	-0.327	-0.6101	-0.5226	0.0849	0.2937	0.9025	-0.2155	-0.3918	0.2946	0.2255	0.3794	44.7045	11.1235	94.7709
16	1.0596	0.7012	-0.27	3.2992	-2.1204	1.5126	-0.059	0.5148	0.2246	0.6181	0.1594	0.0949	-0.2346	-0.0326	-0.1004	0.5981	0.0072	0.0527	0.4465	0.3983	0.5707	36.9796	47.877	59.2913
17	0.4557	-0.0631	-0.0286	2.8098	2.0318	1.6048	0.0254	0.0477	-0.067	0.831	-0.3364	0.6595	0.5363	-0.0811	0.3109	0.9049	-0.195	0.4119	0.2923	-0.2236	0.4086	64.0432	41.7068	21.6327
18	1.1266	0.7198	0.1966	3.1095	1.9382	1.3904	-0.0255	0.505	-0.2352	0.5953	0.118	-0.0962	0.2087	-0.0285	-0.0925	0.5939	0.026	-0.0405	0.4418	-0.3885	0.5561	71.7435	4.9381	-13.833
19	2.9289	0.0736	2.1843	0.4967	-0.0086	1.7597	-0.3253	-0.8237	0.6456	-0.0461	0.0085	0.0917	-0.0747	-0.5303	0.3168	0.2681	0.2321	-0.2491	0.9717	-0.3957	0.3702	69.6476	16.7079	58.2093
20	3.5874	-0.6508	2.2648	1.0347	-0.183	1.6002	0.1267	-0.6173	-0.0681	-0.4919	-0.0554	0.2208	-0.0053	-0.2269	-0.0713	0.4476	-0.015	-0.4035	0.5964	0.0409	0.5273	32.91	9.0053	22.7217
21	2.9224	0.1447	-2.1628	0.4932	-0.1301	1.7383	-0.326	-0.7988	-0.6582	-0.0472	0.0096	-0.066	0.0642	0.516	0.3164	0.2735	0.2169	0.2732	0.9608	0.3896	0.3896	39.1431	36.1119	131.3416
22	3.2918	-0.7182	-2.0553	0.9908	0.2824	1.4445	0.1574	-0.6514	0.0407	-0.5078	-0.0766	-0.215	-0.0367	0.2443	-0.0807	0.4709	-0.0026	0.4342	0.616	-0.0259	0.5765	75.8667	43.8363	95.8695
23	0.7671	-0.117	-0.5534	1.2881	-0.9636	1.3324	0.148	0.0936	0.0192	0.6314	0.1707	0.3248	-0.4751	-0.2578	-0.3187	0.8672	0.0998	0.2161	0.3277	0.1906	0.3182	12.103	8.8065	94.5922
24	1.3191	0.5568	-0.5542	3.6652	-1.8401	1.0911	0.1265	0.3781	1.0041	1.0169	0.5287	0.9392	-0.2826	-0.3125	-0.6552	0.817	0.3134	0.4505	0.3654	0.633	1.2294	16.9526	49.2336	62.7618

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	0 - 401
2	X-RAY DIFFRACTION	2	B	1 - 301
3	X-RAY DIFFRACTION	3	C	0 - 401
4	X-RAY DIFFRACTION	4	D	1 - 301
5	X-RAY DIFFRACTION	5	E	0 - 401
6	X-RAY DIFFRACTION	6	F	1 - 301
7	X-RAY DIFFRACTION	7	G	0 - 401
8	X-RAY DIFFRACTION	8	H	1 - 301
9	X-RAY DIFFRACTION	9	I	0 - 401
10	X-RAY DIFFRACTION	10	J	1 - 301
11	X-RAY DIFFRACTION	11	K	0 - 401
12	X-RAY DIFFRACTION	12	L	1 - 301
13	X-RAY DIFFRACTION	13	M	0 - 401
14	X-RAY DIFFRACTION	14	N	1 - 301
15	X-RAY DIFFRACTION	15	O	0 - 401
16	X-RAY DIFFRACTION	16	P	1 - 301
17	X-RAY DIFFRACTION	17	Q	0 - 401
18	X-RAY DIFFRACTION	18	R	1 - 301
19	X-RAY DIFFRACTION	19	S	0 - 401
20	X-RAY DIFFRACTION	20	T	1 - 301
21	X-RAY DIFFRACTION	21	U	0 - 401
22	X-RAY DIFFRACTION	22	V	1 - 301
23	X-RAY DIFFRACTION	23	W	0 - 401
24	X-RAY DIFFRACTION	24	X	1 - 301

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