PDB-8djg: ADGRL3-lectin domain in complex with an activating synthetic anti...

ID or keywords:

Entry

Database: PDB / ID: 8djg

Title

ADGRL3-lectin domain in complex with an activating synthetic antibody fragment

Components

Isoform 2 of Adhesion G protein-coupled receptor L3
sAB Heavy Chain
sAB Light Chain

Keywords

SIGNALING PROTEIN/Immune System / adhesion GPCR / lectin domain / sAB / SIGNALING PROTEIN / SIGNALING PROTEIN-Immune System complex

Function / homology

Function and homology information

cell-cell adhesion via plasma-membrane adhesion molecules / synapse assembly / G protein-coupled receptor activity / adenylate cyclase-activating G protein-coupled receptor signaling pathway / neuron migration / cell-cell junction / carbohydrate binding / cell surface receptor signaling pathway / G protein-coupled receptor signaling pathway / axon ...
Similarity search - Function

Biological species

synthetic construct (others)

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.65 Å

Authors

Kordon, S.P. / Bandekar, S.J. / Arac, D.

Funding support

United States, 3items

Organization	Grant number	Country
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	GM120322	United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	GM134035-01	United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	1F32GM142266-01	United States

Citation

Journal: Nat Commun / Year: 2023
Title: Isoform- and ligand-specific modulation of the adhesion GPCR ADGRL3/Latrophilin3 by a synthetic binder.
Authors: Kordon, S.P. / Dutka, P. / Adamska, J.M. / Bandekar, S.J. / Leon, K. / Erramilli, S.K. / Adams, B. / Li, J. / Kossiakoff, A.A. / Arac, D.

History

Deposition	Jun 30, 2022	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 15, 2023	Provider: repository / Type: Initial release
Revision 1.1	Feb 22, 2023	Group: Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2	Oct 25, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.3	Oct 9, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8djg.cif.gz	508.1 KB	Display	PDBx/mmCIF format
PDB format	pdb8djg.ent.gz	355.6 KB	Display	PDB format
PDBx/mmJSON format	8djg.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/dj/8djg ftp://data.pdbj.org/pub/pdb/validation_reports/dj/8djg	HTTPS FTP

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Related structure data

Related structure data	4xwoS 6vhhS S: Starting model for refinement
Similar structure data	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	#184 - Apr 2015 Glucagon similarity (11) #21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1)

Deposited unit

A: sAB Heavy Chain

B: sAB Light Chain

C: sAB Heavy Chain

D: sAB Light Chain

E: Isoform 2 of Adhesion G protein-coupled receptor L3

F: Isoform 2 of Adhesion G protein-coupled receptor L3

hetero molecules

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

1

A: sAB Heavy Chain

B: sAB Light Chain

F: Isoform 2 of Adhesion G protein-coupled receptor L3

hetero molecules

defined by author&software
Evidence: gel filtration
60.7 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: sAB Heavy Chain

D: sAB Light Chain

E: Isoform 2 of Adhesion G protein-coupled receptor L3

hetero molecules

defined by author&software
Evidence: gel filtration
61.1 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	81.799, 97.849, 163.058
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁
Space group name Hall	P2ac2ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x,y+1/2,-z+1/2 #4: -x+1/2,-y,z+1/2

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Protein , 1 types, 2 molecules EF

#3: Protein	Isoform 2 of Adhesion G protein-coupled receptor L3 / Calcium-independent alpha-latrotoxin receptor 3 / CIRL-3 / Latrophilin-3 / Lectomedin-3 Mass: 12531.232 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: ADGRL3, KIAA0768, LEC3, LPHN3 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: Q9HAR2

#3: Protein

Isoform 2 of Adhesion G protein-coupled receptor L3 / Calcium-independent alpha-latrotoxin receptor 3 / CIRL-3 / Latrophilin-3 / Lectomedin-3

Mass: 12531.232 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Homo sapiens (human) / Gene: ADGRL3, KIAA0768, LEC3, LPHN3 / Production host:

Trichoplusia ni (cabbage looper) / References: UniProt: Q9HAR2

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Antibody , 2 types, 4 molecules ACBD

#1: Antibody	sAB Heavy Chain Mass: 24710.562 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) / Production host: Escherichia coli (E. coli)
#2: Antibody	sAB Light Chain Mass: 23327.846 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) / Production host: Escherichia coli (E. coli)

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Non-polymers , 4 types, 13 molecules

#4: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: SO₄
#5: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₃H₈O₃
#6: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 7 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	N
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: 2.73 Å³/Da / Density % sol: 54.91 % / Description: tetragonal bipyramids
Crystal grow	Temperature: 296 K / Method: vapor diffusion, hanging drop / pH: 4.5 Details: 100 mM sodium acetate, 150 mM ammonium sulfate, 20% PEG 4000

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.033 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 30, 2021
Radiation	Monochromator: Si (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.033 Å / Relative weight: 1
Reflection	Resolution: 2.33→47.51 Å / Num. obs: 56710 / % possible obs: 100 % / Redundancy: 1.9 % / B_iso Wilson estimate: 80.04 Å² / CC_1/2: 0.99 / CC star: 1 / R_merge(I) obs: 0.038 / R_pim(I) all: 0.038 / R_rim(I) all: 0.054 / Net I/σ(I): 9.3
Reflection shell	Resolution: 2.33→2.4 Å / Redundancy: 1.9 % / R_merge(I) obs: 7.31 / Mean I/σ(I) obs: 0.1 / Num. unique obs: 4563 / CC_1/2: 0.079 / CC star: 0.38 / R_pim(I) all: 7.31 / R_rim(I) all: 10.34 / % possible all: 99.9

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Processing

Software

Name	Version	Classification
PHENIX	1.19.2_4158	refinement
XDS		data reduction
XDS		data scaling
PHASER	2.8.3	phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 6VHH, 4XWO

6vhh

4xwo

Resolution: 2.65→47.51 Å / SU ML: 0.4402 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 35.1001
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2739	3521	4.8 %	Random selection
R_work	0.2373	69781	-	-
obs	0.239	38700	99.87 %	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 104.61 Å²

Refinement step

Cycle: LAST / Resolution: 2.65→47.51 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8058	0	34	7	8099

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0121	8268
X-RAY DIFFRACTION	f_angle_d	1.5626	11240
X-RAY DIFFRACTION	f_chiral_restr	0.0973	1256
X-RAY DIFFRACTION	f_plane_restr	0.0085	1443
X-RAY DIFFRACTION	f_dihedral_angle_d	13	2982

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 (%)
2.65-2.69	0.3883	133	0.3851	2771	X-RAY DIFFRACTION	99.69
2.69-2.72	0.3919	155	0.3747	2819	X-RAY DIFFRACTION	99.7
2.72-2.77	0.4454	133	0.3724	2726	X-RAY DIFFRACTION	99.76
2.77-2.81	0.4572	122	0.4006	2819	X-RAY DIFFRACTION	99.83
2.81-2.85	0.3994	160	0.4018	2778	X-RAY DIFFRACTION	99.93
2.85-2.9	0.4266	137	0.3906	2798	X-RAY DIFFRACTION	99.93
2.9-2.96	0.4249	140	0.3531	2823	X-RAY DIFFRACTION	99.83
2.96-3.01	0.3598	124	0.3394	2759	X-RAY DIFFRACTION	99.76
3.01-3.07	0.3767	157	0.3347	2814	X-RAY DIFFRACTION	99.66
3.08-3.14	0.3848	136	0.3143	2817	X-RAY DIFFRACTION	99.86
3.14-3.21	0.3366	158	0.2951	2713	X-RAY DIFFRACTION	99.72
3.21-3.3	0.3316	143	0.317	2786	X-RAY DIFFRACTION	99.93
3.3-3.38	0.3547	176	0.2953	2782	X-RAY DIFFRACTION	99.93
3.38-3.48	0.3633	130	0.291	2788	X-RAY DIFFRACTION	100
3.48-3.6	0.337	143	0.2549	2801	X-RAY DIFFRACTION	99.93
3.6-3.72	0.289	150	0.2555	2814	X-RAY DIFFRACTION	99.93
3.72-3.87	0.2815	128	0.2523	2793	X-RAY DIFFRACTION	100
3.87-4.05	0.314	157	0.2268	2786	X-RAY DIFFRACTION	99.9
4.05-4.26	0.2659	129	0.2146	2813	X-RAY DIFFRACTION	100
4.26-4.53	0.2815	128	0.1854	2810	X-RAY DIFFRACTION	99.97
4.53-4.88	0.2065	132	0.1718	2790	X-RAY DIFFRACTION	100
4.88-5.37	0.1763	153	0.1825	2751	X-RAY DIFFRACTION	100
5.37-6.15	0.2588	137	0.2138	2821	X-RAY DIFFRACTION	100
6.15-7.74	0.2356	138	0.2173	2797	X-RAY DIFFRACTION	100
7.74-47.51	0.2001	122	0.2019	2812	X-RAY DIFFRACTION	99.66

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	5.01347881705	-0.50939956198	-0.167758140987	7.85973360266	-2.45222096703	4.2680534026	0.119515418195	0.139644103894	0.604388745386	0.579600724382	-0.103564411847	-0.821611728522	-0.27688988942	0.346692263749	-0.0313408856132	0.644496155024	-0.14058456096	-0.0594646560472	0.568529684801	0.0726201910386	0.773515306929	23.0909329777	-0.0702958100687	15.4693571314
2	3.75556581473	-0.227414105602	1.40146792483	4.28829050474	-1.52660687981	2.71358943734	0.330766791769	-0.349281342434	0.389435685415	0.789788514158	0.190113779543	0.150343308529	0.29131298092	-0.373869771165	-0.573856362271	1.17035932953	-0.20204092489	-0.058021685001	0.749831152194	0.0766624157991	0.563711908731	14.9636104458	-2.77720400857	19.633461469
3	3.4712754784	-0.600256882445	0.36114756806	0.623531453175	2.03214065343	7.54211316279	-0.884948995684	0.612430475499	0.187982088367	-1.94732685963	0.318595077123	-0.960612627187	-2.91259672862	1.33470332098	0.274268686917	1.34607683375	-0.685982155628	0.103510225313	1.40525591531	0.139549288401	0.599677035017	34.2186174076	-29.4846142364	22.7667904519
4	0.918152243254	-0.668227742508	1.34615703135	3.11667202229	-0.436102463879	2.46614963863	-0.0939310173808	1.3306752555	0.498801811446	-1.10963001428	0.38546967353	-2.38084016445	-1.00788764181	2.6004962128	-0.0793878208013	1.10567241012	-0.925655453543	0.696031455731	2.18744157913	-0.234564636847	0.851289809823	41.6380655398	-33.434675525	19.4914274271
5	3.71447392694	2.21282844711	-0.640091296794	7.5962750988	2.38996642211	1.86904787808	0.350234523809	0.346493187366	-0.157740950175	0.262438148742	0.299945456669	1.89534405621	0.691730130868	-0.358129807587	-0.412518504224	1.56637499568	-0.263822894096	-0.448670155928	0.858264538863	0.28271784682	0.638075344435	4.05658104813	-20.8876491409	11.3677795082
6	3.11859105964	-2.80493858236	1.10014906234	5.965584312	-3.27307053265	1.46806116204	0.400631503716	0.306064973975	-0.0553161786462	-1.16440947256	0.20392942792	0.645776404512	0.172750078414	0.207787711883	-0.512971546018	1.02161375656	-0.140734070706	-0.270566081816	0.812352022391	0.0437694036167	0.564297425757	11.5687692835	-22.2248109207	11.7649007734
7	3.87455722137	1.0632854843	-0.75470439914	8.57187872557	3.08616768514	7.5067921021	-0.282471781693	-0.0609582270055	-0.27468523197	-0.637692038865	0.219672781798	-0.0957024063025	-0.150988521137	0.661649691372	0.121625074124	0.354355811947	-0.024513764436	-0.0547370607816	0.631557766798	0.0342410678325	0.519729106749	24.96739297	-40.8085410461	28.4029514063
8	2.42003808613	-1.11870122041	-1.69742389491	2.12681195905	0.689563315132	4.2960718368	-0.439482673453	-0.242084465699	0.541844807604	0.379691310457	0.371911271009	0.319473767829	-0.464748701511	-0.356887131162	-0.174256529731	0.492225283189	0.0237093520788	-0.284946271355	0.623541187727	-0.111745716975	1.1042887214	-5.77511754946	-16.8491774022	49.5444643345
9	3.19906987879	-1.28673918845	2.45814513242	4.39570163096	-1.99110908484	4.33291335961	-0.611137691093	-0.325361926762	1.16724412973	0.916758277282	0.275939014122	-0.900302578565	-0.996186343155	0.286506583337	0.326287534666	0.742540514358	0.06124405346	-0.292599016884	0.558547211851	-0.16485606249	1.10949127115	4.20990844262	-14.3196556391	54.0262134641
10	4.69366849145	-1.24398074556	2.01650618328	3.43321062152	0.417389082191	5.01698657096	-0.020814782277	0.195822466606	0.754467231606	0.192121920543	0.0103953682677	-0.102863570327	-0.252386151644	0.145994785637	-0.0541512447078	0.505069243135	0.014627786798	-0.0448705624106	0.457694460425	-0.122494917364	1.02229685184	1.10259628445	-19.7399478818	48.1561859018
11	6.8368622512	-0.9225634711	0.0177145822204	2.75524766461	-3.82281307237	5.48331105383	-0.862115147959	-0.242779990512	-0.405418619597	-1.0154119647	0.855999005607	2.58976062445	0.363494283033	-0.64246082548	0.0555936105301	0.745436498679	-0.0151039739817	-0.212062086985	0.864002960032	0.0536970422155	1.22521271517	-17.2183948688	-38.783486173	22.8735078194
12	2.57834666303	-1.11368171533	-2.18693914743	1.77876633398	1.68655344708	2.45312671157	-0.281562909139	0.122785791372	0.289065846077	0.55975034943	0.51753836742	0.508141265592	-0.0435713320621	-0.642688705622	-0.212615647278	0.616182233131	0.0371383890134	-0.087303150703	0.819444496084	0.323273994809	1.11761881767	-13.0683945344	-30.6506015019	32.5362039355
13	7.40794075846	1.01012499616	-0.884587095911	7.67307902053	1.8853005273	8.53667006213	0.363990804117	-0.17782351871	-1.75448244903	1.0691228872	-0.203315015848	0.721762994867	1.62635064386	-1.3174610189	-0.168366435821	0.745661812203	-0.124074122982	0.0010247596527	0.875767682794	0.277226493493	1.32476236008	-20.0957279338	-39.1566723542	30.8999619314
14	3.08772972781	-0.264997065457	0.172554207526	2.93355852777	-0.652405811588	6.02235919646	0.451798398006	0.82479442037	0.877346865729	-0.24145398615	-0.145302686058	-0.489391237174	-0.743393323278	-1.48167127035	-0.0947979794196	0.696341341262	0.0313590273802	-0.0336801408049	1.16254592623	0.137558803035	1.42746849613	-25.4340787164	-35.0235917402	26.4859473581
15	6.23969908598	-2.55972298721	0.799762957133	5.8001859283	2.56676365142	5.72295976839	-0.142999107777	0.0305323267943	1.13196385694	0.00514006217089	0.203991072689	-0.402999364203	-0.692256892568	0.613480138665	-0.074335757227	0.579750596375	-0.0298707219103	-0.0817055701812	0.484942918813	0.00942137467107	0.715631697691	13.6544061691	-33.6328943895	45.075816905
16	2.32054338306	-0.939010391602	1.41794195995	2.92931507624	-0.0310629512832	4.13412083266	-0.225488563066	0.228556344631	0.729183158991	0.0868021561823	0.123135841213	-0.0582786768895	-0.154261420297	0.301858384914	0.105538701826	0.336247053034	-0.0673988291661	-0.0238194954855	0.379409108659	0.0545956220141	0.689170016909	8.17592402286	-35.5084496483	41.2869051442
17	2.55677574245	-1.49775775407	-0.682156850136	3.2083648321	0.126288781902	2.80100846356	-0.0166353819468	0.620019245545	-0.260927423918	-0.878382603205	0.0581689781997	0.976482248432	-0.211455669822	-0.00733358897406	-0.0621178850345	0.881085716243	-0.250695855452	-0.474397050646	0.664631500239	0.112817989133	1.08674722871	-5.26737063868	-36.1786903394	17.366168598
18	3.13504991617	0.648549216458	0.741166880692	7.86213331844	-6.73978346997	6.31265676267	-0.877091512623	0.371643057819	-1.96904844911	1.29045858695	-0.40695469296	-1.97145976739	1.0629373982	-0.290250541502	1.06931892816	1.08952636008	-0.0361481569599	0.113336896216	0.851932950786	-0.354856685514	1.54822109285	22.7379461935	-27.6923064868	81.3272235779
19	7.84679844068	0.317324821706	-1.35739558156	8.42291082926	-4.68986079344	3.17995086573	-1.1386826276	-0.583325823886	-2.33176638936	-0.243840545016	0.0730577289011	-0.180528021775	0.969574920299	-1.60156389792	0.846124427965	0.901261327177	-0.0503403625894	-0.00354476894615	0.903214889041	-0.262241639955	1.60955922348	15.0318924125	-28.6170959537	84.8488267091
20	1.92577220736	-0.925081386651	-0.0873625464136	2.87504208955	-0.264978891509	5.72973437049	0.078637493969	0.0883697570844	-0.373075910571	-0.349662258682	-0.231163761866	-0.0164692391053	0.385066928347	-0.0340309692647	0.111450479604	0.801987285441	-0.0903598840174	-0.12257440214	0.744197200275	-0.28299968004	1.09812552478	21.5449679482	-16.8504948761	77.5943250778
21	4.62458233256	1.246781561	2.86456750154	4.8121040904	-0.203494449563	9.17038589012	0.0703708625489	-1.13096642233	-1.17311362344	0.632840669426	-0.567643694184	1.23198116353	0.463031788827	-2.15043965339	0.628528801525	0.860634722822	-0.182574520305	0.0929112826573	1.28283814299	-0.226850253714	1.36604317105	13.3765530166	-24.9633427828	90.2551259813
22	3.99252067068	5.51226002057	-5.6713885887	7.64282683697	-7.85164211743	8.09392079926	0.643818784785	0.258984178767	0.790976729258	0.126305670268	0.732649470328	1.6426494508	-1.75496664556	-0.265488047932	0.59200061884	0.900113267596	0.144456350368	-0.521316204724	0.8760041582	-0.53504904264	1.31016392657	14.9042527745	-12.3679216889	75.0997528275
23	2.93763322699	-0.0195075598946	-0.49251995168	7.17029969807	-4.12902105556	2.4526309367	-0.195934377921	-0.606853273787	-1.64933186051	0.494377389587	-0.312208981237	-1.04162485347	-0.320656143136	1.15814945326	0.417693280057	0.703325647415	-0.0337232422944	-0.195110057706	0.865183372996	0.0213070878284	1.47312809702	22.3570519527	-25.6683604292	88.1474575463
24	6.80488366542	-1.52816445892	3.47540489822	3.02052379947	-2.50719391458	2.93001791241	0.136344009421	0.799911963348	-0.681113522381	0.203885892561	-0.0331264053001	1.26021916206	1.80314591669	-0.499811314338	-0.00968836578972	1.15620031057	-0.223627797951	-0.108645536971	0.971069024089	0.388257250848	1.08557445584	1.90648418673	10.5550150274	-9.01644766239
25	5.65116149956	-0.450207290709	1.1296231377	2.15865660693	0.43431662267	0.356175230136	0.381635398633	0.638403880189	-0.382040322753	-0.634041303726	1.49610640731	1.42882383109	1.09053093593	-1.97895411205	0.51379315283	1.09345168142	-0.255481552751	0.25143129982	1.18399937822	0.895723710264	1.57423210868	-2.12735868706	12.7986832991	-6.18853256975
26	2.42899799039	-2.94740990181	2.86812242899	3.85159106961	-3.27455285594	3.50799225335	-0.0314500339613	-0.694542816987	0.499831853751	0.496504048232	0.104887637804	-0.091652795665	-0.848716730316	-1.28889444382	-0.478991003061	1.04499173962	-0.00957312613298	0.436812623827	1.45042032948	0.415140090518	1.61449126483	-5.98885780403	12.6803697052	8.50189360669
27	6.38133919498	-3.98404380299	-3.86076803196	3.3903514662	4.59637962798	7.66404297747	1.07765465934	1.253924138	1.39930078048	0.305703201847	0.345779641525	1.24921622269	-3.38164943954	-0.840891530314	-0.582589918425	1.26226316991	0.1403297503	0.24910757138	1.29576365397	0.958488615274	2.14320298232	1.35896948243	24.0577589775	-7.4952100532
28	6.58514624414	4.11752253111	-0.653278772811	8.20054435814	0.191347757149	3.30279121521	1.17936308203	0.166291478516	1.28977139542	0.854778502006	-0.228495787875	0.115644285507	-1.38877524468	-0.141967584816	-0.993285103811	0.881136908015	0.192510181979	0.161464740882	0.96139818898	0.264560060299	0.987515238017	4.65526882574	17.8455464547	-2.52012521987
29	3.79320967841	-1.23040836691	3.84068571131	3.46039121412	1.45507656686	6.27915397099	0.10949832145	0.699149562983	-0.594108110033	-0.28769212191	-0.804896228708	0.63197928473	-0.311461816319	0.592285377461	0.12493526272	0.90618298029	0.1051395317	0.0896802911255	1.34575573186	0.57932164209	1.332626844	-1.99936445981	17.3905121856	-15.7693438004

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 1 through 31 )	A	A	1 - 31	1 - 31
2	2	chain 'A' and (resid 32 through 131 )	A	A	32 - 131	32 - 131
3	3	chain 'A' and (resid 132 through 189 )	A	A	132 - 189	132 - 183
4	4	chain 'A' and (resid 190 through 228 )	A	A	190 - 228	184 - 222
5	5	chain 'B' and (resid 6 through 39 )	B	C	6 - 39	1 - 31
6	6	chain 'B' and (resid 40 through 129 )	B	C	40 - 129	32 - 121
7	7	chain 'B' and (resid 130 through 215 )	B	C	130 - 215	122 - 207
8	8	chain 'C' and (resid 4 through 20 )	C	D	4 - 20	1 - 17
9	9	chain 'C' and (resid 21 through 86 )	C	D	21 - 86	18 - 83
10	10	chain 'C' and (resid 87 through 131 )	C	D	87 - 131	84 - 128
11	11	chain 'C' and (resid 132 through 155 )	C	D	132 - 155	129 - 150
12	12	chain 'C' and (resid 156 through 189 )	C	D	156 - 189	151 - 184
13	13	chain 'C' and (resid 190 through 215 )	C	D	190 - 215	185 - 210
14	14	chain 'C' and (resid 216 through 228 )	C	D	216 - 228	211 - 223
15	15	chain 'D' and (resid 6 through 49 )	D	G	6 - 49	1 - 44
16	16	chain 'D' and (resid 50 through 129 )	D	G	50 - 129	45 - 124
17	17	chain 'D' and (resid 130 through 215 )	D	G	130 - 215	125 - 210
18	18	chain 'E' and (resid 29 through 36 )	E	K	29 - 36	1 - 8
19	19	chain 'E' and (resid 37 through 49 )	E	K	37 - 49	9 - 21
20	20	chain 'E' and (resid 50 through 91 )	E	K	50 - 91	22 - 63
21	21	chain 'E' and (resid 92 through 100 )	E	K	92 - 100	64 - 72
22	22	chain 'E' and (resid 101 through 115 )	E	K	101 - 115	73 - 87
23	23	chain 'E' and (resid 116 through 126 )	E	K	116 - 126	88 - 98
24	24	chain 'F' and (resid 29 through 44 )	F	L	29 - 44	1 - 16
25	25	chain 'F' and (resid 45 through 69 )	F	L	45 - 69	17 - 41
26	26	chain 'F' and (resid 70 through 80 )	F	L	70 - 80	42 - 52
27	27	chain 'F' and (resid 81 through 91 )	F	L	81 - 91	53 - 63
28	28	chain 'F' and (resid 92 through 115 )	F	L	92 - 115	64 - 87
29	29	chain 'F' and (resid 116 through 127 )	F	L	116 - 127	88 - 99

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