PDB-5mdm: Structural intermediates in the fusion associated transition of v...

ID or keywords:

Entry

Database: PDB / ID: 5mdm

Title

Structural intermediates in the fusion associated transition of vesiculovirus glycoprotein

Components

Glycoprotein

Keywords

VIRAL PROTEIN / Class III viral fusion glycoprotein

Function / homology

Rhabdovirus glycoprotein / Rhabdovirus spike glycoprotein / symbiont entry into host cell /

viral envelope / virion attachment to host cell / virion membrane /

membrane /

Glycoprotein

Function and homology information

Biological species

Chandipura virus

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.998 Å

Authors

Baquero, E. / Albertini, A.A. / Gaudin, Y. / Bressanelli, S.

Funding support

France, 3items

Citation

Journal: EMBO J. / Year: 2017
Title: Structural intermediates in the fusion-associated transition of vesiculovirus glycoprotein.
Authors: Baquero, E. / Albertini, A.A. / Raux, H. / Abou-Hamdan, A. / Boeri-Erba, E. / Ouldali, M. / Buonocore, L. / Rose, J.K. / Lepault, J. / Bressanelli, S. / Gaudin, Y.

History

Deposition	Nov 11, 2016	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Dec 14, 2016	Provider: repository / Type: Initial release
Revision 1.1	Feb 22, 2017	Group: Database references
Revision 1.2	Mar 15, 2017	Group: Database references
Revision 1.3	Aug 30, 2017	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 2.0	Jul 29, 2020	Group: Atomic model / Data collection ...Atomic model / Data collection / Derived calculations / Structure summary Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / struct_asym / struct_conn / struct_site / struct_site_gen Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.pdbx_formal_charge / _atom_site.type_symbol / _atom_site_anisotrop.id / _atom_site_anisotrop.pdbx_auth_asym_id / _atom_site_anisotrop.pdbx_auth_seq_id / _atom_site_anisotrop.pdbx_label_asym_id / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1	Jan 17, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Structure summary Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5mdm.cif.gz	660.1 KB	Display	PDBx/mmCIF format
PDB format	pdb5mdm.ent.gz	556.2 KB	Display	PDB format
PDBx/mmJSON format	5mdm.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/md/5mdm ftp://data.pdbj.org/pub/pdb/validation_reports/md/5mdm	HTTPS FTP

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Related structure data

Related structure data	2cmz PDB Unreleased entryS S: Starting model for refinement
Similar structure data	5ly6-d 1u8r-1 1u8r-2 4ntx-d 5d50-2 6qav-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) 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

Deposited unit

E: Glycoprotein

F: Glycoprotein

A: Glycoprotein

C: Glycoprotein

hetero molecules

189 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

E: Glycoprotein

F: Glycoprotein

hetero molecules

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

2

A: Glycoprotein

C: Glycoprotein

hetero molecules

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

Unit cell

Length a, b, c (Å)	150.340, 228.210, 78.840
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	18
Space group name H-M	P2₁2₁2

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
1	2
2	2
1	3
2	3
1	4
2	4
1	5
2	5
3	5
4	5

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details
1	1	1	chain C and not (resseq 50:178 or resseq 1001:1002)
2	1	1	chain F and not (resseq 59:178 or resseq 1001:1002)
1	1	2	chain A and not (resseq 50:178)
2	1	2	chain E and not (resseq 50:178)
1	1	3	chain C and (resseq 50:58 or resseq 130:178)
2	1	3	chain F and (resseq 50:58 or resseq 130:178)
1	1	4	chain A and (resseq 50:58 or resseq 130:178)
2	1	4	chain E and (resseq 50:58 or resseq 130:178)
1	1	5	chain A and (resseq 65:104 or resseq 110:123)
2	1	5	chain C and (resseq 65:104 or resseq 110:123)
3	1	5	chain E and (resseq 65:104 or resseq 110:123)
4	1	5	chain F and (resseq 65:104 or resseq 110:123)

NCS ensembles :

ID
1
2
3
4
5

#1: Protein

Glycoprotein /

Mass: 46808.914 Da / Num. of mol.: 4 / Fragment: ectodmain, UNP residues 22-440 / Source method: isolated from a natural source / Source: (natural)

Chandipura virus / References: UniProt: P13180

#2: Polysaccharide

2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose

Type: oligosaccharide

/ Mass: 424.401 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source

Descriptor	Type	Program
DGlcpNAcb1-4DGlcpNAcb1-	Glycam Condensed Sequence	GMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1	WURCS	PDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}	LINUCS	PDB-CARE

#3: Polysaccharide

2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta- ...

Type: oligosaccharide

/ Mass: 570.542 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source

Descriptor	Type	Program
DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-	Glycam Condensed Sequence	GMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-1-2/a4-b1_a6-c1	WURCS	PDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}[(6+1)][a-L-Fucp]{}}}	LINUCS	PDB-CARE

#4: Chemical

ChemComp-SO4 / SULFATE ION /

Sulfate

Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO₄

#5: 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.: 2
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: 3.61 Å³/Da / Density % sol: 65.94 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 14% PEG 3350, 0.3 M Na2SO4 and 0.1 M HEPES pH 7.6; final pH 7.5

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 0.978 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Nov 16, 2011
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.978 Å / Relative weight: 1
Reflection	Resolution: 2.998→50 Å / Num. obs: 55165 / % possible obs: 99.8 % / Observed criterion σ(I): -3 / Redundancy: 6.7 % / R_merge(I) obs: 0.09 / Net I/σ(I): 16.7
Reflection shell	Resolution: 2.998→3.1 Å / Redundancy: 6.8 % / R_merge(I) obs: 1.253 / Mean I/σ(I) obs: 1.5 / % possible all: 99

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Processing

Software

Name	Version	Classification
PHENIX	1.8.1_1168	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2CMZ

2cmz
PDB Unreleased entry

Resolution: 2.998→49.108 Å / SU ML: 0.38 / Cross valid method: FREE R-VALUE / σ(F): 1.99 / Phase error: 22.73

	R_factor	Num. reflection	% reflection
R_free	0.2222	2759	5 %
R_work	0.1878	-	-
obs	0.1895	55158	99.66 %

Solvent computation

Shrinkage radii: 0.8 Å / VDW probe radii: 1 Å

Refinement step

Cycle: LAST / Resolution: 2.998→49.108 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12726	0	99	0	12825

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.004	13225
X-RAY DIFFRACTION	f_angle_d	0.8	17947
X-RAY DIFFRACTION	f_dihedral_angle_d	13.464	4806
X-RAY DIFFRACTION	f_chiral_restr	0.054	1941
X-RAY DIFFRACTION	f_plane_restr	0.003	2262

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Type	Rms dev position (Å)
1	1	C	2146	X-RAY DIFFRACTION	POSITIONAL
1	2	F	2146	X-RAY DIFFRACTION	POSITIONAL	0.017
2	1	A	2215	X-RAY DIFFRACTION	POSITIONAL
2	2	E	2215	X-RAY DIFFRACTION	POSITIONAL	0.02
3	1	C	455	X-RAY DIFFRACTION	POSITIONAL
3	2	F	455	X-RAY DIFFRACTION	POSITIONAL	0.012
4	1	A	455	X-RAY DIFFRACTION	POSITIONAL
4	2	E	455	X-RAY DIFFRACTION	POSITIONAL	0.014
5	1	A	418	X-RAY DIFFRACTION	POSITIONAL
5	2	C	418	X-RAY DIFFRACTION	POSITIONAL	0.012
5	3	E	418	X-RAY DIFFRACTION	POSITIONAL	0.008
5	4	F	418	X-RAY DIFFRACTION	POSITIONAL	0.01

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 (%)
2.9979-3.0496	0.3604	133	0.3079	2510	X-RAY DIFFRACTION	96
3.0496-3.1051	0.312	133	0.2861	2560	X-RAY DIFFRACTION	100
3.1051-3.1648	0.3129	138	0.2632	2613	X-RAY DIFFRACTION	100
3.1648-3.2294	0.2942	136	0.2592	2570	X-RAY DIFFRACTION	100
3.2294-3.2996	0.3184	140	0.2452	2627	X-RAY DIFFRACTION	100
3.2996-3.3763	0.2838	133	0.2331	2559	X-RAY DIFFRACTION	100
3.3763-3.4607	0.2529	138	0.2211	2639	X-RAY DIFFRACTION	100
3.4607-3.5543	0.2269	138	0.202	2577	X-RAY DIFFRACTION	100
3.5543-3.6588	0.2517	134	0.1884	2582	X-RAY DIFFRACTION	100
3.6588-3.7769	0.2546	138	0.1877	2631	X-RAY DIFFRACTION	100
3.7769-3.9118	0.2348	135	0.1845	2589	X-RAY DIFFRACTION	100
3.9118-4.0683	0.2013	139	0.1698	2611	X-RAY DIFFRACTION	100
4.0683-4.2534	0.1999	138	0.1525	2622	X-RAY DIFFRACTION	100
4.2534-4.4775	0.1656	139	0.1431	2618	X-RAY DIFFRACTION	100
4.4775-4.7578	0.1702	137	0.1453	2625	X-RAY DIFFRACTION	100
4.7578-5.1248	0.1834	140	0.1439	2642	X-RAY DIFFRACTION	100
5.1248-5.6399	0.2098	139	0.1677	2673	X-RAY DIFFRACTION	100
5.6399-6.4544	0.2269	139	0.1919	2649	X-RAY DIFFRACTION	100
6.4544-8.1259	0.2362	144	0.2033	2694	X-RAY DIFFRACTION	99
8.1259-49.1147	0.2051	148	0.1998	2808	X-RAY DIFFRACTION	99

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	0.3781	1.9905	0.1805	2.7177	1.1063	-0.2851	-0.048	0.1679	-0.5298	0.2809	0.1875	-0.3536	0.5326	-0.0748	-0.06	1.67	-0.1618	-0.2021	0.7483	-0.1402	1.4513	37.5241	10.6435	-11.7363
2	2.2378	-0.3344	-1.7671	3.894	0.2862	3.5986	0.2024	0.035	0.5288	-0.4383	0.2387	-0.262	-1.5307	1.3108	-0.2229	1.0649	-0.414	0.002	0.966	0.0626	0.664	68.3938	72.9385	0.2042
3	2.5918	-1.2407	-0.4734	3.75	-1.9713	5.4221	0.161	0.4622	0.0208	-0.266	-0.1909	-0.0259	-0.235	0.1221	0.0283	0.7034	0.0236	-0.0856	0.7296	0.0547	0.6314	44.6383	58.6684	-12.702
4	2.7701	-2.431	1.5635	2.2115	-2.1183	5.318	0.5037	-0.055	-0.4159	-2.2109	0.0241	0.5435	0.2865	0.3728	-0.3741	1.5026	-0.0102	-0.118	0.8361	0.14	0.9302	54.2872	77.2927	5.208
5	2.5779	0.4992	1.7365	2.2399	1.6074	6.5307	-0.8938	0.4238	0.2746	-0.0711	0.2287	0.7771	-0.0682	1.6158	0.1397	0.6856	-0.1299	-0.0554	1.0066	0.1224	0.6887	54.9712	50.284	2.1186
6	0.2135	0.3466	-0.723	4.1801	0.419	2.8508	-0.6391	0.0217	-0.7626	0.6324	0.7307	0.4195	0.3314	0.3076	0.1294	0.8377	0.0407	-0.0722	0.6411	0.1162	0.8686	41.9141	38.028	-6.4918
7	0.996	0.2226	0.3256	3.8811	-1.3481	0.7225	0.1309	0.3084	-0.2097	-0.1877	0.3733	0.2293	-0.0649	-0.148	-0.5033	0.8292	-0.1435	-0.0239	1.0667	0.0256	0.8626	63.8527	50.2113	-3.8973
8	0.0593	1.4556	0.4179	2.2425	0.5629	0.5481	-0.6302	-0.0304	0.591	-0.1574	0.2843	0.2216	-0.3141	0.1065	0.2559	1.2785	-0.1208	-0.376	0.7093	-0.1136	1.7736	47.7744	-10.6086	-1.9733
9	3.8296	-0.0221	-1.6394	3.6564	-0.6245	2.6197	-0.4521	1.1264	-1.4296	-0.354	0.2106	-0.5867	0.7013	0.0304	0.133	0.7281	-0.0703	0.1238	1.0243	-0.4589	1.064	32.4724	-73.4569	-28.5462
10	6.0245	-1.3469	0.5561	4.9058	-1.0061	3.5142	0.0854	0.2409	-0.3744	-0.0963	-0.1333	-0.2661	-0.0541	0.8379	0.1109	0.539	-0.0169	-0.0528	0.815	-0.0647	0.6915	47.8572	-58.7741	-6.8761
11	3.7468	-1.4476	0.0559	1.3566	-1.5139	2.5043	-0.1935	0.5033	-0.8375	-0.2191	0.2772	-1.5071	0.6156	0.0477	-0.103	1.0684	-0.0186	0.0386	0.8428	-0.0815	1.5674	29.3058	-77.894	-14.0011
12	7.0847	0.3653	0.509	0.1435	0.201	1.6128	0.7772	0.3029	0.7368	1.0202	-0.1495	-0.5787	0.5745	0.5284	-0.3829	0.8076	-0.018	-0.086	0.8512	-0.0474	0.7251	31.7284	-50.8525	-15.4769
13	2.6643	0.9453	-0.2742	2.1839	-0.2477	0.2246	-0.78	0.4506	-0.5264	-0.7075	1.2813	0.4969	-1.3404	0.0272	-0.4747	0.7388	-0.0467	-0.0537	0.6216	0.0091	0.7534	41.6112	-38.0055	-3.9717
14	3.6653	0.0892	0.7943	2.5858	0.6489	2.0215	-0.885	-0.1952	0.1785	-1.0648	0.8019	-0.6706	-0.7829	0.3797	0.2332	1.0602	-0.1811	0.0007	1.1831	-0.1137	0.8221	36.616	-50.8208	-25.0228
15	1.3804	1.6201	-0.4622	1.8655	-0.4106	-0.0451	0.1608	0.1232	-0.5221	0.4332	-0.1172	0.2724	0.5123	0.1721	-0.0578	1.1492	0.2371	-0.094	0.861	-0.0933	1.4311	66.9468	11.471	16.8997
16	3.4808	-0.5702	-1.619	3.1943	-0.4359	3.2462	0.0036	0.4873	-0.1952	-0.3821	0.1485	-0.218	0.242	0.4273	-0.2045	0.4525	0.0112	-0.0575	0.7733	-0.0791	0.6762	72.9603	42.1307	3.607
17	2.3403	0.1578	0.8013	3.5632	1.5372	3.0614	0.1935	0.1994	-0.1435	0.384	-0.1052	-0.7231	-0.4214	0.9093	-0.0236	0.9502	-0.1697	-0.2298	1.2828	-0.0268	0.9783	88.3068	52.9371	26.4732
18	0.5648	0.7668	-1.5436	0.6289	-1.1946	2.4753	0.1263	0.3772	0.5424	-0.5143	-0.4573	-0.5244	0.3176	1.1985	-0.2326	0.5437	-0.0285	-0.1245	1.0058	0.2879	1.0721	69.8321	47.3301	15.9324
19	0.7289	-1.6317	0.5904	3.7432	-1.6253	0.7531	-1.1259	-0.5116	-0.7465	1.7037	1.0357	-0.0415	-0.9089	0.0067	-0.3589	0.6363	0.1141	-0.1139	0.7474	0.0561	0.8477	70.5808	42.3527	25.0531
20	0.7216	0.5045	0.0879	1.4854	0.8345	1.0522	-0.2438	-0.5262	-1.1218	-0.2958	0.4083	0.1926	0.5431	0.6566	-0.0829	0.8327	0.2633	-0.152	1.4305	0.087	1.0194	91.055	31.5953	20.7634
21	0.8183	1.9515	0.9099	5.2878	1.5739	0.8065	-0.2055	-0.271	0.3927	0.4101	-0.23	0.6225	-0.1908	0.8521	0.2842	0.7663	-0.2204	0.0221	1.1294	-0.1819	0.6507	74.4734	60.6717	6.165
22	-0.8503	0.1047	-0.7648	1.4936	1.4371	2.6204	-0.0177	0.0322	0.4705	-0.1516	-0.258	0.5856	-0.525	-0.0584	0.329	1.3673	0.0391	-0.2185	0.7529	0.0148	1.2131	14.9991	-12.4978	-26.7012
23	2.298	-0.2923	-0.9576	2.2025	-0.0119	2.9579	-0.0947	0.1877	0.3675	-0.35	0.1183	-0.1904	-0.4192	0.482	0.0355	0.849	-0.1424	-0.0705	0.707	-0.0111	0.5472	27.8806	-42.6753	-33.442
24	4.3348	1.4363	0.8196	3.2397	0.7559	3.4246	0.0349	0.5826	-0.394	-0.5695	-0.1357	0.4388	-0.3314	-0.2774	0.1407	0.906	-0.0481	-0.2006	0.9772	-0.0558	0.8155	3.0427	-54.8107	-45.0741
25	1.9742	0.101	-1.2682	2.9321	1.2188	3.6517	-0.1099	1.1675	-0.2106	-1.3756	0.1918	-1.6255	0.7249	0.0459	0.5126	0.861	0.161	-0.1701	1.0385	-0.0618	0.7086	15.9419	-48.4599	-28.4318
26	0.3498	-0.7335	0.7469	2.7007	-2.8677	2.8828	0.3593	-0.0326	-1.0986	0.1563	0.4315	1.1013	-0.9017	-0.0644	0.0127	0.8211	0.0992	-0.056	0.6693	-0.0203	0.7093	6.7099	-43.6522	-28.0427
27	1.0742	0.8963	-0.2115	1.6431	0.3668	1.4463	-0.777	1.1475	1.582	0.3133	0.5388	-0.037	0.3799	-0.7393	0.4556	1.3048	-0.0221	-0.3442	1.2973	0.1664	1.1935	7.9965	-33.5343	-49.2882
28	1.2883	2.3222	0.2708	5.8399	0.9907	0.2914	-0.2775	1.5273	-0.5255	0.3543	1.556	-1.0586	0.5166	0.3269	-0.7619	0.9843	-0.3199	-0.043	1.2442	-0.2234	0.6821	25.2327	-61.7903	-34.0009

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain A and (resseq 53:170 or resseq 1001:1002)
2	X-RAY DIFFRACTION	2	chain A and (resseq 1:17 or resseq 277:386 or resseq 2001:2003)
3	X-RAY DIFFRACTION	3	chain A and (resseq 36:44 or resseq 183:262)
4	X-RAY DIFFRACTION	4	chain A and (resseq 18:35)
5	X-RAY DIFFRACTION	5	chain A and (resseq 263:276)
6	X-RAY DIFFRACTION	6	chain A and (resseq 45:52 or resseq 171:182)
7	X-RAY DIFFRACTION	7	chain A and (resseq 387:999)
8	X-RAY DIFFRACTION	8	chain E and (resseq 53:170 or resseq 1001:1002)
9	X-RAY DIFFRACTION	9	chain E and (resseq 1:17 or resseq 277:386 or resseq 2001:2003)
10	X-RAY DIFFRACTION	10	chain E and (resseq 36:44 or resseq 183:262)
11	X-RAY DIFFRACTION	11	chain E and (resseq 18:35)
12	X-RAY DIFFRACTION	12	chain E and (resseq 263:276)
13	X-RAY DIFFRACTION	13	chain E and (resseq 45:52 or resseq 171:182)
14	X-RAY DIFFRACTION	14	chain E and (resseq 387:999)
15	X-RAY DIFFRACTION	15	chain C and (resseq 53:170 or resseq 1001:1002)
16	X-RAY DIFFRACTION	16	chain C and (resseq 1:17 or resseq 277:386 or resseq 2001:2003)
17	X-RAY DIFFRACTION	17	chain C and (resseq 36:44 or resseq 183:262)
18	X-RAY DIFFRACTION	18	chain C and (resseq 18:35)
19	X-RAY DIFFRACTION	19	chain C and (resseq 263:276)
20	X-RAY DIFFRACTION	20	chain C and (resseq 45:52 or resseq 171:182)
21	X-RAY DIFFRACTION	21	chain C and (resseq 387:999)
22	X-RAY DIFFRACTION	22	chain F and (resseq 53:170 or resseq 1001:1002)
23	X-RAY DIFFRACTION	23	chain F and (resseq 1:17 or resseq 277:386 or resseq 2001:2003)
24	X-RAY DIFFRACTION	24	chain F and (resseq 36:44 or resseq 183:262)
25	X-RAY DIFFRACTION	25	chain F and (resseq 18:35)
26	X-RAY DIFFRACTION	26	chain F and (resseq 263:276)
27	X-RAY DIFFRACTION	27	chain F and (resseq 45:52 or resseq 171:182)
28	X-RAY DIFFRACTION	28	chain F and (resseq 387:999)

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