PDB-6fjl: Structure of IbpS from Dickeya dadantii

ID or keywords:

Entry

Database: PDB / ID: 6fjl

Title

Structure of IbpS from Dickeya dadantii

Components

ABC-type Fe3+ transport system, periplasmic component

Keywords

METAL BINDING PROTEIN / Substrate binding protein Bacterial effector venus fly-trap

Function / homology

cell envelope / Bacterial extracellular solute-binding protein / Bacterial extracellular solute-binding protein / ACETATE ION / ABC-type Fe3+ transport system, periplasmic component

Function and homology information

Biological species

Dickeya dadantii (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 1.70000035298 Å

Authors

Gueguen-Chaignon, V. / Condemine, G. / Terradot, L.

Citation

Journal: Nat Commun / Year: 2019
Title: A secreted metal-binding protein protects necrotrophic phytopathogens from reactive oxygen species.
Authors: Liu, L. / Gueguen-Chaignon, V. / Goncalves, I.R. / Rascle, C. / Rigault, M. / Dellagi, A. / Loisel, E. / Poussereau, N. / Rodrigue, A. / Terradot, L. / Condemine, G.

History

Deposition	Jan 22, 2018	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Feb 6, 2019	Provider: repository / Type: Initial release
Revision 1.1	Feb 19, 2020	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2	May 8, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / struct_conn / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_symmetry / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_symmetry / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_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 / _struct_conn.ptnr2_symmetry / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6fjl.cif.gz	691.4 KB	Display	PDBx/mmCIF format
PDB format	pdb6fjl.ent.gz	475.8 KB	Display	PDB format
PDBx/mmJSON format	6fjl.json.gz		Tree view	PDBx/mmJSON format
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Validation report

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

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Related structure data

Related structure data	6hhbC C: citing same article (ref.)
Similar structure data	6o5z-2 5etq-d 2x1z-1 1mns-d 1j3h-2 2rh8-d 3qbn-d 1l9e-2 1hch-d 5zbk-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

6hhbC

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	#205 - Jan 2017 Nuclear Pore Complex similarity (2) #221 - May 2018 Human Papillomavirus and Vaccines similarity (2) #243 - Mar 2020 Voltage-gated Sodium Channels similarity (2)

Deposited unit

A: ABC-type Fe3+ transport system, periplasmic component

B: ABC-type Fe3+ transport system, periplasmic component

C: ABC-type Fe3+ transport system, periplasmic component

D: ABC-type Fe3+ transport system, periplasmic component

hetero molecules

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

1

A: ABC-type Fe3+ transport system, periplasmic component

hetero molecules

defined by author
38.9 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: ABC-type Fe3+ transport system, periplasmic component

hetero molecules

defined by author
38.9 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: ABC-type Fe3+ transport system, periplasmic component

hetero molecules

defined by author
38.9 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: ABC-type Fe3+ transport system, periplasmic component

hetero molecules

defined by author
38.9 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	77.447, 112.313, 78.722
Angle α, β, γ (deg.)	90.0, 95.53, 90.0
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb

Noncrystallographic symmetry (NCS)

NCS domain:

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

NCS domain segments:

Ens-ID: 1

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	ALA	ALA	PHE	PHE	chain 'A'	A	A	28 - 139	1 - 112
1	2	ASP	ASP	LEU	LEU	chain 'A'	A	A	141 - 371	114 - 344
2	3	ALA	ALA	PHE	PHE	chain 'B'	B	B	28 - 139	1 - 112
2	4	ASP	ASP	LEU	LEU	chain 'B'	B	B	141 - 371	114 - 344
3	5	ALA	ALA	PHE	PHE	chain 'C'	C	C	28 - 139	1 - 112
3	6	ASP	ASP	LEU	LEU	chain 'C'	C	C	141 - 371	114 - 344
4	7	ALA	ALA	PHE	PHE	chain 'D'	D	D	28 - 139	1 - 112
4	8	ASP	ASP	LEU	LEU	chain 'D'	D	D	141 - 371	114 - 344

#1: Protein	ABC-type Fe3+ transport system, periplasmic component Mass: 38833.570 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Dickeya dadantii (strain 3937) (bacteria) Strain: 3937 / Gene: Dda3937_02937 / Plasmid: pGEX-6p3 / Production host: Escherichia coli (E. coli) / Variant (production host): NM522 / References: UniProt: E0SCP7
#2: Chemical	ChemComp-ACT / ACETATE ION Mass: 59.044 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂H₃O₂
#3: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Formula: Mg
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1132 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.14 Å³/Da / Density % sol: 42.57 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6 Details: 24% PEG 4000 Cacodylate Na 50 mM pH 6 Magnesium Acetate 80 mM

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

ESRF

/ Beamline: ID23-1 / Wavelength: 0.97301 Å

Detector

Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 26, 2015

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.97301 Å / Relative weight: 1

Reflection

Resolution: 1.7→47.55 Å / Num. obs: 146429 / % possible obs: 99.7 % / Redundancy: 3.4 % / B_iso Wilson estimate: 24.9350094583 Å² / CC_1/2: 0.998 / R_merge(I) obs: 0.058 / R_pim(I) all: 0.036 / R_rim(I) all: 0.069 / Net I/σ(I): 8.6

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	Num. unique obs	R_pim(I) all	R_rim(I) all	R_sym value	% possible all
1.7-1.79	3.3	0.611	1.2	21285	0.392	0.728	0.611	99.4
1.79-1.9	3.4	0.406	1.7	20177	0.255	0.481	0.406	99.7
1.9-2.03	3.5	0.25	2.9	19014	0.156	0.296	0.25	99.9
2.03-2.19	3.3	0.162	4.1	17601	0.104	0.193	0.162	99.3
2.19-2.4	3.6	0.115	5.8	16307	0.071	0.135	0.115	99.9
2.4-2.69	3.5	0.082	7.8	14744	0.051	0.097	0.082	99.8
2.69-3.1	3.4	0.059	10.7	12997	0.037	0.069	0.059	99.7
3.1-3.8	3.5	0.043	14.2	11002	0.027	0.051	0.043	99.9
3.8-5.38	3.4	0.031	19.6	8562	0.019	0.037	0.031	99.7
5.38-47.547	3.4	0.023	22.2	4740	0.014	0.027	0.023	99.6

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Processing

Software

Name	Version	Classification
PHENIX	1.9_1692	refinement
PHENIX	1.9_1692	refinement
SCALA	3.3.22	data scaling
PDB_EXTRACT	3.24	data extraction
XDS		data reduction
PHASER		phasing

Refinement

Method to determine structure:

SAD / Resolution: 1.70000035298→47.5465786313 Å / SU ML: 0.216352520644 / Cross valid method: THROUGHOUT / σ(F): 1.33259982426 / Phase error: 26.6192617955

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.205859044668	7358	5.0372419081 %	RANDOM
R_work	0.174517748023	138714	-	-
obs	0.17613569009	146072	99.4221384281 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 37.1333890265 Å²

Refinement step

Cycle: LAST / Resolution: 1.70000035298→47.5465786313 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10947	0	18	1132	12097

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.00652509829454	11327
X-RAY DIFFRACTION	f_angle_d	1.02799710618	15478
X-RAY DIFFRACTION	f_chiral_restr	0.0448366351325	1650
X-RAY DIFFRACTION	f_plane_restr	0.00557088363689	2024
X-RAY DIFFRACTION	f_dihedral_angle_d	12.7487280572	4058

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 (%)
1.7-1.7193	0.380511987338	235	0.340943822602	4599	X-RAY DIFFRACTION	98.9965185337
1.7193-1.7395	0.326735058981	218	0.307885757404	4579	X-RAY DIFFRACTION	98.7240172875
1.7395-1.7608	0.334610962955	241	0.303138524077	4602	X-RAY DIFFRACTION	98.6756316218
1.7608-1.7831	0.332140472843	210	0.293526077405	4580	X-RAY DIFFRACTION	98.3774902444
1.7831-1.8065	0.333838440736	260	0.287949246133	4535	X-RAY DIFFRACTION	97.9971387697
1.8065-1.8313	0.290877767653	223	0.261031035048	4641	X-RAY DIFFRACTION	99.5090016367
1.8313-1.8574	0.310346724938	253	0.244978618222	4591	X-RAY DIFFRACTION	99.732345069
1.8574-1.8852	0.300497344361	237	0.244269295552	4611	X-RAY DIFFRACTION	99.5686999384
1.8852-1.9146	0.271719969472	269	0.235276620823	4619	X-RAY DIFFRACTION	99.5722143003
1.9146-1.946	0.263172376086	256	0.221403161943	4599	X-RAY DIFFRACTION	99.569319114
1.946-1.9796	0.270106821427	268	0.220081016791	4598	X-RAY DIFFRACTION	99.6314496314
1.9796-2.0156	0.260288428332	288	0.225512815383	4613	X-RAY DIFFRACTION	99.7963754836
2.0156-2.0543	0.24569545511	224	0.220151214864	4598	X-RAY DIFFRACTION	99.3816982688
2.0543-2.0963	0.231609299321	205	0.20492090069	4663	X-RAY DIFFRACTION	99.1647993481
2.0963-2.1418	0.246261180338	244	0.200507494399	4620	X-RAY DIFFRACTION	99.042964773
2.1418-2.1917	0.244071995377	225	0.195343469354	4569	X-RAY DIFFRACTION	99.0905332782
2.1917-2.2465	0.22215889155	247	0.188087374296	4647	X-RAY DIFFRACTION	99.7554015491
2.2465-2.3072	0.235699351061	270	0.191598116213	4622	X-RAY DIFFRACTION	99.67400163
2.3072-2.3751	0.266704688988	229	0.194648037201	4633	X-RAY DIFFRACTION	99.8152330117
2.3751-2.4517	0.224880417955	254	0.186681097808	4650	X-RAY DIFFRACTION	99.7964997965
2.4517-2.5394	0.22158251404	215	0.180692051028	4653	X-RAY DIFFRACTION	99.7132322819
2.5394-2.641	0.19958936596	250	0.18152770349	4630	X-RAY DIFFRACTION	99.5512035904
2.641-2.7612	0.198508549139	256	0.171961078859	4619	X-RAY DIFFRACTION	99.3073945814
2.7612-2.9068	0.206140096776	237	0.184284404055	4651	X-RAY DIFFRACTION	99.5925020375
2.9068-3.0889	0.225531940305	243	0.178276966159	4658	X-RAY DIFFRACTION	99.9592086478
3.0889-3.3273	0.210422526491	269	0.174140955833	4619	X-RAY DIFFRACTION	99.8162140086
3.3273-3.662	0.176953223492	285	0.156379811483	4631	X-RAY DIFFRACTION	99.77674041
3.662-4.1917	0.147370452648	265	0.128884449242	4630	X-RAY DIFFRACTION	99.5728234337
4.1917-5.28	0.144694892407	212	0.121839343711	4739	X-RAY DIFFRACTION	99.9596204321
5.28-47.5652	0.157437705157	270	0.130370157906	4715	X-RAY DIFFRACTION	99.5606151388

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	1.39724444524	-0.342520168193	0.139052250381	1.37766819702	1.37393613546	2.0698746219	-0.0539772728204	0.226938025913	0.17534075572	-0.534096490259	-0.0206891279251	-0.0846536637112	-0.752855707221	0.198287972303	0.0916253455605	0.418881432883	-0.121349917246	-0.0229480147148	0.246313414254	0.0730885008977	0.285283197236	0.888356932759	14.5575871409	-12.0888074859
2	0.872560923297	-0.181925996966	0.216530422646	1.32551910483	0.671601538082	2.87539379746	-0.0522562015975	0.0764039567355	-0.124288434688	0.101212827012	-0.168611430624	0.208942763544	0.519288300838	-0.353598814531	0.164470036881	0.249057549079	-0.107346858711	0.0467056636741	0.244564541275	-0.0446553475329	0.264474672065	-10.1730859548	-10.8409611584	-12.9734646834
3	0.551468499592	-0.117048175108	0.145496696716	1.13834801676	1.02865329438	3.01733372449	-0.0753193308086	0.0697325929414	0.0442155609613	-0.161075965019	-0.125380038206	0.00648537107229	-0.323722363314	-0.0941016481638	0.156389742536	0.200101632764	-0.0640285341243	-0.0267199353963	0.190057882802	0.0172438463187	0.238693971806	-6.20911936481	5.03482343031	-11.5889226268
4	1.64784300044	-0.152425969324	0.154705506495	1.05388273334	0.00787441901682	1.11816567748	0.105200738755	-0.22548514709	0.136032521616	0.144898487781	-0.0847688900335	-0.127318774613	-0.420264800837	0.304821670102	-0.0170823702588	0.363564356461	-0.168996393772	0.00799598024089	0.295793498719	-0.00781278100879	0.244340111713	-13.5881345078	32.1963479088	-49.8346891631
5	2.08891052879	0.156209201492	-0.387237629771	1.0880213068	-0.42379554504	1.05158366382	0.139505842146	-0.0875845903546	0.0557356745844	0.306512667568	-0.0520390314318	0.0977817385315	-0.295774611032	-0.059102204755	-0.0726955458049	0.25360114306	-0.0371524064742	0.0265926125283	0.179576710613	0.0102024181063	0.181781233433	-38.9393561721	21.4590298269	-53.0543741212
6	1.32450155708	0.236772264191	-0.00378667833518	0.475355827301	0.0362711634655	1.31820107222	0.124236083193	-0.114686913613	0.0658752607337	0.152770237968	-0.0931716313253	-0.0664036862998	-0.335857911912	0.145135766101	-0.033919642784	0.260959781828	-0.0951037124054	-0.00269445855721	0.214622500766	0.0166823557184	0.22763825138	-22.6615575215	25.5737597808	-52.3058904911
7	1.09095783735	0.0982637881622	0.0509443540395	0.354722817516	0.143030855035	1.41982563802	-0.188876339586	1.01643214271	-0.11154834203	-0.473188350682	0.258944835901	0.172306385672	0.148937418761	-0.50913909076	-0.0527603212466	0.314579188075	-0.237286769292	-0.0643752506138	0.953653733709	-0.0306253402785	0.326097774161	-46.31614525	15.4079371799	-21.0094090562
8	0.816628115302	0.314762864065	-0.249159221138	1.31829879559	0.0417937623287	0.550642645269	-0.116456381153	0.469821959514	-0.0652352641589	-0.06466621858	0.106114814351	0.0184660945628	0.14433391531	-0.364376961201	-0.0141716426068	0.149083092985	-0.0876346935777	-0.0214145594606	0.487838453763	-0.0226494581362	0.255280811975	-39.7280619355	14.8347937273	-9.6400606307
9	1.16879932998	0.433820161672	-0.47481022878	1.42581619318	-0.168140457876	2.43748342062	0.0112920661295	0.337825812656	0.188924449998	-0.0474107384592	0.140051719946	0.136784133317	-0.624778208598	-0.127884759965	-0.133179867506	0.30884391416	-0.0176293638424	-0.000160191250992	0.354976615772	0.0870459786333	0.236352090854	-30.5817038528	37.0305505669	-10.4378504435
10	1.03790971765	0.411650399951	-0.425334894451	0.829677114727	-0.239522093112	1.96662508672	-0.0633447774199	0.404219465384	-0.0335350853186	-0.0835448907582	0.1395763469	0.0527440443113	-0.109990752847	-0.28506239842	-0.0703849063194	0.1928441852	-0.055551834859	-0.0113057518936	0.413418038977	0.0253890621292	0.248202282473	-34.0584016635	25.2214594101	-11.7783577069
11	0.959962343046	-0.647935457163	0.592801720346	2.67276563128	-0.355886137161	0.553672190902	0.0124298292942	-0.0444674657865	-0.280405457	-0.0557879260693	0.0616061566885	0.450544225442	0.638488898486	-0.600429931058	-0.0769722914427	0.990252010422	-0.372704395723	0.193677058477	0.565564601679	-0.0467178296602	0.5045324308	-23.7854745486	-13.4209835425	-41.928086083
12	1.18936359463	6.46697404035E-5	-0.169467603422	1.09320368633	0.344796790038	1.07534146656	-0.168513730749	0.49219840817	-0.357967372218	0.81956031338	-0.078645874009	0.00708991335881	1.23759931411	-0.0638002305462	0.355859624237	1.06986388318	-0.322134584491	0.160546560053	-0.0600340619663	-0.0392452262293	0.357587119942	-7.47804300614	-14.937789935	-54.2108927072
13	1.61617047391	0.335101579366	0.0246274954104	2.05304120031	0.55555604974	0.168847970259	-0.269158906581	0.304348637966	-0.0972645876949	0.181201564206	-0.18123393431	0.183532353066	0.664380883162	-0.821444466203	0.228579716437	0.503172385485	-0.295151802935	0.0961914522504	0.40745907815	-0.0865212927921	0.313343763353	-13.7302729965	-6.27052249723	-60.468153217
14	1.22238067811	0.521635617531	0.479046983907	1.87009904168	0.491221598176	0.238949449441	-0.189800891424	0.11350442025	-0.0409959505158	0.402407678742	-0.200455815563	0.265698828432	0.642146000551	-0.742355675408	0.270122509369	0.444429992912	-0.243873641183	0.111215415003	0.437427247606	-0.0693168862934	0.379309403022	-18.055993261	-0.188434891521	-47.3359489681
15	3.21681705062	0.0340624995925	-0.187047097274	1.23520382737	0.404653506279	2.28361804526	0.0774969547848	-0.237562413398	-0.00541761784301	0.221310660963	-0.105111058052	0.0265323491373	0.50598636234	-0.112924252262	0.126445262906	0.358092747534	-0.0388109600275	0.00953941427592	0.171806503571	-0.0119700928149	0.228496136895	0.894667074198	-0.159015276819	-47.6062376567
16	1.86310824895	-0.0403427423085	0.0239707012777	1.75092713518	0.511236824854	2.73300378179	-0.0441517326348	-0.0490617564577	-0.000881311619997	0.149742365003	0.0425092698365	-0.156502900205	0.313461713656	0.363511792563	0.0122302704226	0.196180236822	0.0128682433386	-0.0287737533179	0.204636314662	0.0201200450158	0.20705278273	14.7787688936	4.10995006541	-56.4826345764
17	1.68886239932	0.287732224804	-0.300678851963	1.09677816204	0.135276695315	1.85420488578	-0.112100182641	-0.0253257672501	-0.198802284153	0.338613824239	-0.00627728551522	0.0784717382866	0.878821472077	-0.0555070363411	0.0412280071736	0.527040371465	-0.0910741157805	0.0597607485592	0.123200183342	-0.00496951778417	0.2422829132	-1.0812202959	-4.27136409206	-48.1993084188
18	1.22275195948	0.068411811959	-0.485375862487	0.224952506078	0.619970180822	1.93235827532	-0.0540016662389	-0.0627470240641	-0.128436737296	0.161129243635	0.0374182836208	0.0328634726748	0.603352976593	-0.152986016312	0.0648734524072	0.321314938553	-0.0611654358495	0.0190810996725	0.181648588633	-0.0108268632604	0.270492692484	-4.23272756661	3.5895232847	-44.1743764113
19	1.62089697607	0.380489615662	-0.367014077208	0.847868044987	-0.111038625107	0.973482924651	-0.161614928692	0.198768338604	-0.221835237782	0.126696047431	0.00464963084967	0.0274468607626	0.751102933127	-0.139257259015	0.100652491899	0.439731075914	-0.0800652386937	0.0377934550331	0.186595427647	-0.040305656097	0.245892791144	3.19695791845	-5.88803475324	-66.6090139327

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 28 through 139 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 140 through 265 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 266 through 372 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 28 through 139 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 140 through 265 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 266 through 372 )
7	X-RAY DIFFRACTION	7	chain 'C' and (resid 28 through 73 )
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 74 through 139 )
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 140 through 280 )
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 281 through 372 )
11	X-RAY DIFFRACTION	11	chain 'D' and (resid 28 through 47 )
12	X-RAY DIFFRACTION	12	chain 'D' and (resid 48 through 99 )
13	X-RAY DIFFRACTION	13	chain 'D' and (resid 100 through 121 )
14	X-RAY DIFFRACTION	14	chain 'D' and (resid 122 through 139 )
15	X-RAY DIFFRACTION	15	chain 'D' and (resid 140 through 164 )
16	X-RAY DIFFRACTION	16	chain 'D' and (resid 165 through 233 )
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 234 through 291 )
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 292 through 336 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 337 through 372 )

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