PDB-3rif: C. elegans glutamate-gated chloride channel (GluCl) in complex wi...

ID or keywords:

Entry

Database: PDB / ID: 3rif

Title

C. elegans glutamate-gated chloride channel (GluCl) in complex with Fab, ivermectin and glutamate.

Components

(Mouse monoclonal Fab fragment, ...) x 2
Avermectin-sensitive glutamate-gated chloride channel GluCl alpha

Keywords

transport protein/immune system / Membrane protein / transport protein / Cys-loop receptor / ligand-gated ion channel / neurotransmitter receptor / Ivermectin / Picrotoxin / Glycosylation / transport protein-immune system complex

Function / homology

Function and homology information

Neurotransmitter-gated ion-channel transmembrane domain / Acetylcholine Binding Protein; Chain: A, / Neurotransmitter-gated ion-channel ligand-binding domain / Methane Monooxygenase Hydroxylase; Chain G, domain 1 / Distorted Sandwich / Immunoglobulins / Up-down Bundle / Immunoglobulin-like / Sandwich / Mainly Beta / Mainly Alpha
Similarity search - Domain/homology

Biological species

Caenorhabditis elegans (invertebrata)

Mus musculus (house mouse)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.345 Å

Authors

Hibbs, R.E. / Gouaux, E.

Citation

Journal: Nature / Year: 2011
Title: Principles of activation and permeation in an anion-selective Cys-loop receptor.
Authors: Hibbs, R.E. / Gouaux, E.

History

Deposition	Apr 13, 2011	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 25, 2011	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Aug 24, 2011	Group: Refinement description
Revision 1.3	Aug 31, 2011	Group: Source and taxonomy
Revision 1.4	Oct 19, 2011	Group: Database references
Revision 1.5	Aug 23, 2017	Group: Refinement description / Source and taxonomy / Category: entity_src_gen / software
Revision 1.6	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_label_asym_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_label_asym_id / _struct_ref_seq_dif.details Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 1.7	Sep 13, 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 / pdbx_initial_refinement_model Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.8	Nov 20, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	3rif_validation.pdf.gz	2.8 MB	Display	wwPDB validaton report
Full document	3rif_full_validation.pdf.gz	3 MB	Display
Data in XML	3rif_validation.xml.gz	134.7 KB	Display
Data in CIF	3rif_validation.cif.gz	174.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ri/3rif ftp://data.pdbj.org/pub/pdb/validation_reports/ri/3rif	HTTPS FTP

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Related structure data

Related structure data	3rhwSC 3ri5C 3riaC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	3ri5-d 3rhw-d 3ria-d 2win-1 2win-2 4tnw-1 Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#191 - Nov 2015 Glutamate-gated Chloride Receptors similarity (6) #21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #152 - Aug 2012 cAMP-dependent Protein Kinase similarity (1) #235 - Jul 2019 AMPA Receptor similarity (1)

Deposited unit

A: Avermectin-sensitive glutamate-gated chloride channel GluCl alpha

B: Avermectin-sensitive glutamate-gated chloride channel GluCl alpha

C: Avermectin-sensitive glutamate-gated chloride channel GluCl alpha

D: Avermectin-sensitive glutamate-gated chloride channel GluCl alpha

E: Avermectin-sensitive glutamate-gated chloride channel GluCl alpha

F: Mouse monoclonal Fab fragment, heavy chain

G: Mouse monoclonal Fab fragment, heavy chain

H: Mouse monoclonal Fab fragment, heavy chain

I: Mouse monoclonal Fab fragment, heavy chain

J: Mouse monoclonal Fab fragment, heavy chain

K: Mouse monoclonal Fab fragment, light chain

L: Mouse monoclonal Fab fragment, light chain

M: Mouse monoclonal Fab fragment, light chain

N: Mouse monoclonal Fab fragment, light chain

O: Mouse monoclonal Fab fragment, light chain

hetero molecules

439 kDa, 15 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author

Unit cell

Length a, b, c (Å)	155.442, 155.442, 575.354
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	96
Space group name H-M	P4₃2₁2

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details
1	1	1	chain A and (resseq 1:340 ) and (not element H)
2	1	1	chain B and (resseq 1:340 ) and (not element H)
3	1	1	chain C and (resseq 1:339 ) and (not element H)
4	1	1	chain D and (resseq 1:340 ) and (not element H)
5	1	1	chain E and (resseq 1:340 ) and (not element H)
1	1	2	chain F and (resseq 1:120 ) and (not element H)
2	1	2	chain G and (resseq 1:120 ) and (not element H)
3	1	2	chain H and (resseq 1:120 ) and (not element H)
4	1	2	chain I and (resseq 1:120 ) and (not element H)
5	1	2	chain J and (resseq 1:120 ) and (not element H)
1	1	3	chain K and (resseq 1:108 ) and (not element H)
2	1	3	chain L and (resseq 1:108 ) and (not element H)
3	1	3	chain M and (resseq 1:108 ) and (not element H)
4	1	3	chain N and (resseq 1:108 ) and (not element H)
5	1	3	chain O and (resseq 1:108 ) and (not element H)
1	1	4	A402
2	1	4	B403
3	1	4	D402
4	1	4	E402
5	1	4	A403

NCS ensembles :

ID
1
2
3
4

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Protein , 1 types, 5 molecules ABCDE

#1: Protein	Avermectin-sensitive glutamate-gated chloride channel GluCl alpha Mass: 39636.629 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Caenorhabditis elegans (invertebrata) / Gene: glc-1, F11A5.10 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: O17793

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Antibody , 2 types, 10 molecules FGHIJKLMNO

#2: Antibody	Mouse monoclonal Fab fragment, heavy chain Mass: 23921.744 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Cell: HYBRIDOMA
#3: Antibody	Mouse monoclonal Fab fragment, light chain Mass: 22618.156 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Cell: HYBRIDOMA

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Sugars , 2 types, 6 molecules

#6: Sugar

ChemComp-LMT / DODECYL-BETA-D-MALTOSIDE

Type: D-saccharide / Mass: 510.615 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₂₄H₄₆O₁₁ / Comment: detergent*YM

#8: 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.: 3
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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Non-polymers , 5 types, 15 molecules

#4: Chemical	ChemComp-GLU / GLUTAMIC ACID Type: L-peptide linking / Mass: 147.129 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₅H₉NO₄
#5: Chemical	ChemComp-IVM / (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside / 22,23-DIHYDROAVERMECTIN B1A / IVERMECTIN Mass: 875.093 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₄₈H₇₄O₁₄
#7: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#9: Chemical	ChemComp-OCT / N-OCTANE Mass: 114.229 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₈H₁₈
#10: Chemical	ChemComp-UND / UNDECANE / LIPID FRAGMENT Mass: 156.308 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₁H₂₄

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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: 3.99 Å³/Da / Density % sol: 69.18 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 4.5 Details: 21-23% PEG 400, 50 mM sodium citrate pH 4.5, 70 mM sodium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.979 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Aug 4, 2010 Details: Mirrors: bent cylinders, stripes of Pt, Rh and clear
Radiation	Monochromator: Cryo-cooled double Si(111) crystal monochromator. Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 3.345→40 Å / Num. all: 102849 / Num. obs: 102849 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.5 % / R_merge(I) obs: 0.15 / Net I/σ(I): 9.6
Reflection shell	Resolution: 3.345→3.47 Å / Redundancy: 4.6 % / R_merge(I) obs: 0.982 / Mean I/σ(I) obs: 1.3 / % possible all: 100

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Processing

Software

Name	Version	Classification
HKL-2000		data collection
PHASER		phasing
PHENIX	(phenix.refine: 1.7_650)	refinement
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 3RHW

3rhw

Resolution: 3.345→39.732 Å / SU ML: 0.38 / σ(F): 0 / Phase error: 25.75 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2714	4790	5.01 %
R_work	0.248	-	-
obs	0.2492	95669	92.99 %

Solvent computation

Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 13.672 Å² / k_sol: 0.271 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	2.453 Å²	-0 Å²	-0 Å²
2-	-	2.453 Å²	-0 Å²
3-	-	-	-4.9061 Å²

Refinement step

Cycle: LAST / Resolution: 3.345→39.732 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	28503	0	517	0	29020

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.004	29810
X-RAY DIFFRACTION	f_angle_d	0.684	40701
X-RAY DIFFRACTION	f_dihedral_angle_d	13.766	10693
X-RAY DIFFRACTION	f_chiral_restr	0.044	4769
X-RAY DIFFRACTION	f_plane_restr	0.003	5020

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Type	Rms dev position (Å)
1	1	A	2720	X-RAY DIFFRACTION	POSITIONAL
1	2	B	2720	X-RAY DIFFRACTION	POSITIONAL	0.011
1	3	C	2710	X-RAY DIFFRACTION	POSITIONAL	0.011
1	4	D	2720	X-RAY DIFFRACTION	POSITIONAL	0.01
1	5	E	2720	X-RAY DIFFRACTION	POSITIONAL	0.011
2	1	F	949	X-RAY DIFFRACTION	POSITIONAL
2	2	G	949	X-RAY DIFFRACTION	POSITIONAL	0.025
2	3	H	941	X-RAY DIFFRACTION	POSITIONAL	0.011
2	4	I	949	X-RAY DIFFRACTION	POSITIONAL	0.01
2	5	J	949	X-RAY DIFFRACTION	POSITIONAL	0.01
3	1	K	804	X-RAY DIFFRACTION	POSITIONAL
3	2	L	804	X-RAY DIFFRACTION	POSITIONAL	0.018
3	3	M	804	X-RAY DIFFRACTION	POSITIONAL	0.021
3	4	N	804	X-RAY DIFFRACTION	POSITIONAL	0.019
3	5	O	804	X-RAY DIFFRACTION	POSITIONAL	0.016
4	1	A	62	X-RAY DIFFRACTION	POSITIONAL
4	2	B	62	X-RAY DIFFRACTION	POSITIONAL	0.009
4	3	C	62	X-RAY DIFFRACTION	POSITIONAL	0.007
4	4	D	62	X-RAY DIFFRACTION	POSITIONAL	0.007
4	5	E	62	X-RAY DIFFRACTION	POSITIONAL	0.007

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 (%)
3.345-3.383	0.4149	157	0.3889	2580	X-RAY DIFFRACTION	80
3.383-3.4227	0.3693	139	0.3755	2592	X-RAY DIFFRACTION	82
3.4227-3.4645	0.3939	152	0.3607	2711	X-RAY DIFFRACTION	84
3.4645-3.5083	0.4098	130	0.3393	2699	X-RAY DIFFRACTION	85
3.5083-3.5544	0.3514	150	0.334	2791	X-RAY DIFFRACTION	87
3.5544-3.6031	0.3289	140	0.3238	2803	X-RAY DIFFRACTION	87
3.6031-3.6545	0.3699	150	0.3129	2807	X-RAY DIFFRACTION	88
3.6545-3.709	0.3528	157	0.2999	2837	X-RAY DIFFRACTION	89
3.709-3.767	0.3112	138	0.2928	2869	X-RAY DIFFRACTION	89
3.767-3.8287	0.2975	160	0.2815	2914	X-RAY DIFFRACTION	90
3.8287-3.8946	0.2684	148	0.2708	2967	X-RAY DIFFRACTION	92
3.8946-3.9654	0.2936	169	0.2649	3015	X-RAY DIFFRACTION	94
3.9654-4.0416	0.2981	176	0.2596	2971	X-RAY DIFFRACTION	93
4.0416-4.124	0.2475	169	0.24	3041	X-RAY DIFFRACTION	95
4.124-4.2136	0.2723	168	0.235	3085	X-RAY DIFFRACTION	95
4.2136-4.3115	0.2491	172	0.2219	3089	X-RAY DIFFRACTION	95
4.3115-4.4192	0.2282	156	0.211	3088	X-RAY DIFFRACTION	95
4.4192-4.5385	0.2302	164	0.2069	3106	X-RAY DIFFRACTION	97
4.5385-4.6718	0.2255	157	0.1945	3186	X-RAY DIFFRACTION	97
4.6718-4.8224	0.1953	135	0.1905	3179	X-RAY DIFFRACTION	97
4.8224-4.9944	0.2306	180	0.1896	3163	X-RAY DIFFRACTION	97
4.9944-5.194	0.2257	164	0.1993	3178	X-RAY DIFFRACTION	97
5.194-5.4298	0.2282	148	0.2101	3197	X-RAY DIFFRACTION	97
5.4298-5.7153	0.2701	166	0.2354	3174	X-RAY DIFFRACTION	97
5.7153-6.0722	0.2845	167	0.2334	3212	X-RAY DIFFRACTION	98
6.0722-6.5391	0.247	158	0.245	3266	X-RAY DIFFRACTION	98
6.5391-7.1937	0.2659	168	0.2263	3254	X-RAY DIFFRACTION	98
7.1937-8.2266	0.2279	176	0.2095	3323	X-RAY DIFFRACTION	99
8.2266-10.3344	0.2147	205	0.1928	3341	X-RAY DIFFRACTION	99
10.3344-39.7343	0.3291	171	0.321	3441	X-RAY DIFFRACTION	95

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	0.6948	0.2177	-0.1326	3.3094	-0.8998	1.035	0.0425	-0.0216	0.0707	0.1716	0.1151	0.2087	0.0092	-0.1167	-0	0.6184	-0.058	-0.023	0.7741	-0.0048	0.6485	-2.0867	74.3773	38.5146
2	0.9039	0.0688	-0.1356	2.408	-0.7331	0.9705	-0.0058	0.1695	-0.0339	-0.0636	0.149	-0.1014	0.1483	-0.0011	-0	0.7039	-0.0476	-0.0332	0.8189	-0.0995	0.6324	23.0383	71.8142	35.159
3	0.9702	-0.3623	0.242	2.7318	-0.9794	1.645	-0.0309	0.052	-0.0197	-0.0269	0.0946	-0.2062	0.093	0.11	-0	0.6317	-0.0433	-0.0205	0.771	-0.1559	0.7784	34.5688	81.1524	55.7242
4	1.179	0.4305	-0.1618	2.2097	-0.734	1.3526	0.0609	-0.1628	-0.0432	0.1605	0.0113	-0.1191	-0.0297	0.0361	-0	0.7966	-0.0301	-0.0228	0.7329	-0.1614	0.6672	16.7238	89.541	71.6727
5	1.1991	0.6742	-0.225	2.7317	-0.8138	1.3151	0.0698	-0.1226	0.1831	0.2079	0.0382	0.0976	-0.0771	-0.0901	0	0.6914	0.0381	0.0572	0.6874	-0.0842	0.7053	-6.0888	85.3451	61.1324
6	0.0701	0.0567	-0.0193	0.0327	-0.0521	0.0462	0.7801	0.0382	-0.4573	-0.3751	0.0337	-0.4287	0.3612	0.6115	0	0.656	0.0263	-0.0488	0.905	0.1681	0.6207	10.9012	92.504	21.3995
7	0.0365	0.0674	-0.013	0.0206	0.0191	0.0479	-0.1015	-0.2968	0.0185	0.226	-0.497	-1.0904	0.4197	0.5134	0	0.5705	-0.2071	0.0029	0.9993	0.2264	1.1243	34.6929	97.2235	33.0256
8	-0	-0.0171	0.0036	0.0429	0.004	-0.0101	-0.0033	-0.8619	-0.0304	0.5935	-0.1574	-0.421	-0.1115	0.2328	0	1.1973	-0.2483	0.0638	0.7624	-0.1278	0.7756	30.0508	108.9299	57.0242
9	0.0207	-0.0268	0.0675	0.0355	-0.0468	0.059	0.5165	0.0684	-0.4099	-0.1449	-0.4981	0.2087	0.4464	-0.4331	0	0.8082	-0.0949	0.1601	0.766	-0.2675	1.1634	3.1521	111.4922	60.1646
10	-0.0046	0.0105	-0.0067	0.0238	0.0055	0.025	0.2497	0.1813	-0.211	-0.1929	0.5286	0.0132	0.2777	-0.5071	-0	0.8658	0.0478	-0.1546	0.64	-0.0225	1.265	-8.6669	101.2041	38.2123
11	3.8946	0.1017	-0.8658	3.0006	-0.2151	1.6415	0.0622	0.789	-0.5466	-0.2939	0.112	-0.8307	0.2823	0.3619	0	0.9292	0.0812	0.0134	1.2002	-0.347	1.1592	52.9901	47.0867	33.2269
12	-0.0333	-0.3026	0.0093	-0.1864	0.1004	0.0169	-0.2539	0.2648	-0.0187	-0.211	-0.1528	-0.1229	-0.4747	0.4946	0	1.828	-0.0565	0.1154	2.019	-0.0591	1.8249	81.1397	37.3977	24.4225
13	4.1061	-0.3511	0.4515	2.8775	0.916	2.96	-0.1855	-0.2166	0.0156	0.0721	0.2503	-0.3529	-0.029	0.556	-0	0.7925	0.0926	-0.1212	0.9121	-0.1288	0.8382	54.7193	73.5686	87.4331
14	3.1594	-0.3255	-1.6295	2.5958	0.4439	3.3907	-0.1672	-0.5983	-0.2684	0.5667	0.0222	-0.3654	0.029	0.1529	-0	1.2556	0.0144	-0.2655	1.149	0.0248	1.1239	77.8904	71.172	111.5358
15	5.248	0.5006	-0.3277	1.2484	0.7295	2.6288	-0.0031	0.4233	-0.2463	-0.0923	-0.105	0.0681	0.0049	-0.1216	-0	0.691	-0.0003	-0.1188	0.6729	0.0027	0.644	-5.0076	42.0469	17.5726
16	3.2501	0.2671	0.0397	3.7688	0.1045	2.47	0.0443	0.6182	-0.5909	-0.2511	0.0894	-0.1098	0.2974	-0.2148	0	0.7895	-0.0842	-0.1599	1.0942	-0.2224	0.9542	-13.1123	20.3826	-7.2601
17	2.8599	-0.1998	0.6039	1.5611	0.8645	3.6688	0.1243	-0.5946	0.1191	0.3797	-0.1822	0.1855	-0.0284	-0.312	0	1.135	-0.2475	0.1515	1.114	-0.1893	0.8089	-1.1307	84.084	105.5189
18	0.9306	0.3516	-0.9153	1.2509	0.0856	1.307	-0.3476	-0.1642	-0.1717	0.0552	0.3512	-0.0447	-0.0949	-0.0906	-0	1.8971	-0.4475	0.1786	2.0447	-0.1667	1.2675	-10.4965	84.3342	137.8173
19	3.3081	0.0652	-0.6115	2.2238	0.5396	3.6355	0.0357	0.0924	0.0585	0.0733	0.0618	0.4217	0.0777	-0.4632	0	0.7709	-0.0757	0.1039	0.7255	0.0795	0.8586	-38.7207	64.2005	62.0681
20	1.0302	0.3647	-0.4978	2.6787	1.9734	2.0202	-0.304	0.04	-0.2994	0.1921	-0.2258	1.5391	0.3287	-0.088	-0	1.1702	0.0443	0.204	1.1303	0.0783	1.7407	-67.2166	50.0647	65.7255

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 1:401 )	A	1 - 401
2	X-RAY DIFFRACTION	2	( CHAIN B AND RESID 1:401 )	B	1 - 401
3	X-RAY DIFFRACTION	3	( CHAIN C AND RESID 1:401 )	C	1 - 401
4	X-RAY DIFFRACTION	4	( CHAIN D AND RESID 1:401 )	D	1 - 401
5	X-RAY DIFFRACTION	5	( CHAIN E AND RESID 1:401 )	E	1 - 401
6	X-RAY DIFFRACTION	6	( CHAIN A AND RESID 402:402 )	A	402
7	X-RAY DIFFRACTION	7	( CHAIN B AND RESID 403:403 )	B	403
8	X-RAY DIFFRACTION	8	( CHAIN D AND RESID 402:402 )	D	402
9	X-RAY DIFFRACTION	9	( CHAIN E AND RESID 402:402 )	E	402
10	X-RAY DIFFRACTION	10	( CHAIN A AND RESID 403:403 )	A	403
11	X-RAY DIFFRACTION	11	( CHAIN N AND RESID 1:108 ) OR ( CHAIN F AND RESID 1:120 )	N	1 - 108
12	X-RAY DIFFRACTION	11	( CHAIN N AND RESID 1:108 ) OR ( CHAIN F AND RESID 1:120 )	F	1 - 120
13	X-RAY DIFFRACTION	12	( CHAIN N AND RESID 113:185 ) OR ( CHAIN F AND RESID 126:214 )	N	113 - 185
14	X-RAY DIFFRACTION	12	( CHAIN N AND RESID 113:185 ) OR ( CHAIN F AND RESID 126:214 )	F	126 - 214
15	X-RAY DIFFRACTION	13	( CHAIN K AND RESID 1:108 ) OR ( CHAIN G AND RESID 1:120 )	K	1 - 108
16	X-RAY DIFFRACTION	13	( CHAIN K AND RESID 1:108 ) OR ( CHAIN G AND RESID 1:120 )	G	1 - 120
17	X-RAY DIFFRACTION	14	( CHAIN K AND RESID 113:210 ) OR ( CHAIN G AND RESID 126:221 )	K	113 - 210
18	X-RAY DIFFRACTION	14	( CHAIN K AND RESID 113:210 ) OR ( CHAIN G AND RESID 126:221 )	G	126 - 221
19	X-RAY DIFFRACTION	15	( CHAIN H AND RESID 1:120 ) OR ( CHAIN L AND RESID 1:108 )	H	1 - 120
20	X-RAY DIFFRACTION	15	( CHAIN H AND RESID 1:120 ) OR ( CHAIN L AND RESID 1:108 )	L	1 - 108
21	X-RAY DIFFRACTION	16	( CHAIN H AND RESID 126:221 ) OR ( CHAIN L AND RESID 113:210 )	H	126 - 221
22	X-RAY DIFFRACTION	16	( CHAIN H AND RESID 126:221 ) OR ( CHAIN L AND RESID 113:210 )	L	113 - 210
23	X-RAY DIFFRACTION	17	( CHAIN I AND RESID 1:120 ) OR ( CHAIN O AND RESID 1:108 )	I	1 - 120
24	X-RAY DIFFRACTION	17	( CHAIN I AND RESID 1:120 ) OR ( CHAIN O AND RESID 1:108 )	O	1 - 108
25	X-RAY DIFFRACTION	18	( CHAIN I AND RESID 126:221 ) OR ( CHAIN O AND RESID 113:208 )	I	126 - 221
26	X-RAY DIFFRACTION	18	( CHAIN I AND RESID 126:221 ) OR ( CHAIN O AND RESID 113:208 )	O	113 - 208
27	X-RAY DIFFRACTION	19	( CHAIN J AND RESID 1:120 ) OR ( CHAIN M AND RESID 1:108 )	J	1 - 120
28	X-RAY DIFFRACTION	19	( CHAIN J AND RESID 1:120 ) OR ( CHAIN M AND RESID 1:108 )	M	1 - 108
29	X-RAY DIFFRACTION	20	( CHAIN J AND RESID 126:221 ) OR ( CHAIN M AND RESID 113:210 )	J	126 - 221
30	X-RAY DIFFRACTION	20	( CHAIN J AND RESID 126:221 ) OR ( CHAIN M AND RESID 113:210 )	M	113 - 210

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