PDB-7ttz: Heterodimeric IgA Fc in complex with Staphylococcus aureus protei...

ID or keywords:

Entry

Database: PDB / ID: 7ttz

Title

Heterodimeric IgA Fc in complex with Staphylococcus aureus protein SSL7

Components

(IgA Fc) x 2
Superantigen-like protein SSL7

Keywords

IMMUNE SYSTEM / IgA / heterodimer / antibody Fc / antibody engineering

Function / homology

Function and homology information

immunoglobulin complex / plasma membrane
Similarity search - Function

Biological species

Homo sapiens (human)

Staphylococcus aureus (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.35 Å

Authors

Boulanger, M.J. / Verstraete, M. / Heinkel, F. / Escobar, E. / Dixit, S. / Von Kreudenstein, T.S.

Funding support

1items

Citation

Journal: Mabs / Year: 2022
Title: Engineering a pure and stable heterodimeric IgA for the development of multispecific therapeutics.
Authors: Heinkel, F. / Verstraete, M.M. / Cao, S. / Li, J. / Farber, P. / Stangle, E. / Silva-Moreno, B. / Peng, F. / Dixit, S. / Boulanger, M.J. / Spreter Von Kreudenstein, T. / Escobar-Cabrera, E.

History

Deposition	Feb 2, 2022	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 1, 2023	Provider: repository / Type: Initial release
Revision 1.1	Oct 25, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.2	Nov 6, 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	7ttz.cif.gz	565.7 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	7ttz_validation.pdf.gz	3.2 MB	Display	wwPDB validaton report
Full document	7ttz_full_validation.pdf.gz	3.2 MB	Display
Data in XML	7ttz_validation.xml.gz	33.3 KB	Display
Data in CIF	7ttz_validation.cif.gz	44.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/tt/7ttz ftp://data.pdbj.org/pub/pdb/validation_reports/tt/7ttz	HTTPS FTP

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Related structure data

Related structure data	2qejS 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	#21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #186 - Jun 2015 Receptor for Advanced Glycation End Products similarity (2) #267 - Mar 2022 Vascular Endothelial Growth Factor (VegF similarity (2) #63 - Mar 2005 T-Cell Receptor similarity (2) #132 - Dec 2010 Adenovirus similarity (2) #169 - Jan 2014 HIV Envelope Glycoprotein similarity (2)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#21 - Sep 2001
Antibodies
similarity (1)
#256 - Apr 2021
SARS-CoV-2 Spike and Antibodies
similarity (1)
#186 - Jun 2015
Receptor for Advanced Glycation End Products
similarity (2)
#267 - Mar 2022
Vascular Endothelial Growth Factor (VegF
similarity (2)
#63 - Mar 2005
T-Cell Receptor
similarity (2)
#132 - Dec 2010
Adenovirus
similarity (2)
#169 - Jan 2014
HIV Envelope Glycoprotein
similarity (2)

Deposited unit

A: IgA Fc

B: IgA Fc

C: Superantigen-like protein SSL7

D: Superantigen-like protein SSL7

hetero molecules

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

1

Idetical with deposited unit
defined by author
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	135.505, 165.447, 46.434
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	18
Space group name H-M	P2₁2₁2
Space group name Hall	P22ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x+1/2,y+1/2,-z #4: -x,-y,z

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Antibody , 2 types, 2 molecules AB

#1: Antibody	IgA Fc Mass: 23965.229 Da / Num. of mol.: 1 / Mutation: A412F, T414Y, N337T, I338L, T339S, C311S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human) / References: UniProt: Q6MZV6
#2: Antibody	IgA Fc Mass: 23727.930 Da / Num. of mol.: 1 / Mutation: L396V, W398T, I416L, N337T, I338L, T339S, C311S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human) / References: UniProt: Q6MZV6

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Protein / Sugars , 2 types, 3 molecules CD

#3: Protein

Superantigen-like protein SSL7

Mass: 23050.020 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Staphylococcus aureus (bacteria) / Production host:

Escherichia coli (E. coli)

#4: 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.: 1 / Source method: obtained synthetically / Formula: C₈H₁₅NO₆ / Feature type: SUBJECT OF INVESTIGATION

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 , 4 types, 175 molecules

#5: Chemical	ChemComp-1PG / 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL Mass: 252.305 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C₁₁H₂₄O₆ / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₃H₈O₃ / Feature type: SUBJECT OF INVESTIGATION
#7: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂H₆O₂ / Feature type: SUBJECT OF INVESTIGATION
#8: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 162 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y
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: 2.77 Å³/Da / Density % sol: 55.67 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, sitting drop Details: 30% PEG MME 550, 0.1 M HEPES pH 7.5, 0.2 Magnesium chloride

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRL / Beamline: BL9-2 / Wavelength: 1 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Nov 29, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.35→39.56 Å / Num. obs: 48763 / % possible obs: 98.6 % / Redundancy: 2 % / B_iso Wilson estimate: 48.67 Å² / CC_1/2: 1 / R_merge(I) obs: 0.12 / Net I/σ(I): 14.8
Reflection shell	Resolution: 2.35→2.43 Å / R_merge(I) obs: 1.508 / Mean I/σ(I) obs: 2.15 / Num. unique obs: 3864 / CC_1/2: 0.639

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Processing

Software

Name	Version	Classification
Blu-Ice		data collection
XDS		data reduction
XDS		data scaling
PHENIX	1.18.2_3874	phasing
PHENIX	1.18.2_3874	model building
PHENIX	1.18.2_3874	refinement

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2qej

2qej

Resolution: 2.35→39.56 Å / SU ML: 0.3361 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 26.5809
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2475	3756	4.54 %
R_work	0.2003	78988	-
obs	0.2025	43760	98.38 %

Solvent computation

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

Displacement parameters

B_iso mean: 60.07 Å²

Refinement step

Cycle: LAST / Resolution: 2.35→39.56 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6237	0	113	162	6512

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0082	6455
X-RAY DIFFRACTION	f_angle_d	1.0137	8685
X-RAY DIFFRACTION	f_chiral_restr	0.0495	976
X-RAY DIFFRACTION	f_plane_restr	0.0067	1109
X-RAY DIFFRACTION	f_dihedral_angle_d	13.9352	905

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 (%)
2.35-2.38	0.4003	116	0.3022	2459	X-RAY DIFFRACTION	83.36
2.38-2.41	0.3564	124	0.2933	2724	X-RAY DIFFRACTION	92.2
2.41-2.44	0.3178	139	0.2856	2876	X-RAY DIFFRACTION	94.84
2.44-2.48	0.3465	136	0.2832	2922	X-RAY DIFFRACTION	99.74
2.48-2.51	0.33	140	0.2681	2972	X-RAY DIFFRACTION	99.97
2.51-2.55	0.347	142	0.2653	2989	X-RAY DIFFRACTION	100
2.55-2.6	0.2436	142	0.2624	2932	X-RAY DIFFRACTION	98.46
2.6-2.64	0.311	139	0.2557	2961	X-RAY DIFFRACTION	100
2.64-2.69	0.338	144	0.2654	2961	X-RAY DIFFRACTION	99.78
2.69-2.74	0.3095	143	0.248	3008	X-RAY DIFFRACTION	98.81
2.74-2.8	0.3217	136	0.2506	2894	X-RAY DIFFRACTION	99.57
2.8-2.86	0.3249	142	0.2464	2930	X-RAY DIFFRACTION	98.49
2.86-2.92	0.2669	142	0.245	2987	X-RAY DIFFRACTION	99.14
2.92-3	0.3221	138	0.2381	2921	X-RAY DIFFRACTION	99.74
3-3.08	0.3016	148	0.2328	2997	X-RAY DIFFRACTION	100
3.08-3.17	0.2302	138	0.222	2921	X-RAY DIFFRACTION	99.61
3.17-3.27	0.2607	145	0.2061	3006	X-RAY DIFFRACTION	99.97
3.27-3.39	0.2778	142	0.2222	2942	X-RAY DIFFRACTION	99.61
3.39-3.52	0.2876	139	0.2184	2927	X-RAY DIFFRACTION	98.11
3.52-3.68	0.2409	141	0.1914	2954	X-RAY DIFFRACTION	99.55
3.68-3.88	0.2137	142	0.1798	3005	X-RAY DIFFRACTION	99.02
3.88-4.12	0.2082	139	0.168	2932	X-RAY DIFFRACTION	99.97
4.12-4.44	0.1891	143	0.1512	2950	X-RAY DIFFRACTION	99.9
4.44-4.88	0.1894	140	0.1488	2937	X-RAY DIFFRACTION	98.5
4.88-5.59	0.2205	148	0.1575	2964	X-RAY DIFFRACTION	100
5.59-7.03	0.2099	134	0.1987	2956	X-RAY DIFFRACTION	99.01
7.04-39.56	0.2299	134	0.183	2961	X-RAY DIFFRACTION	99.07

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	6.29560614396	4.76054456987	-3.9022407938	4.89091163259	-5.67887160525	7.5939725015	0.298501214488	-0.019024381942	0.996871141217	0.440260515756	-0.28200810328	0.372899492962	-0.81530734037	0.363021464479	-0.0636287906242	0.597385829551	-0.0804738813193	0.0922601073167	0.519400926151	-0.0981935248771	0.747274663003	-3.32155184992	58.0967050352	15.830177998
2	3.44296500928	1.81742000133	-3.36697672601	5.46531648486	-2.00542704009	3.2837233194	1.38513132436	-0.976438378218	1.60287647177	0.0142350613679	-0.35624952057	-0.499909392044	-1.49250969592	0.278222129391	-0.925896477573	0.764583003135	-0.0590262736406	0.21154267988	0.714532514775	-0.0923809574729	1.13129506507	-5.51701460893	70.5578442074	18.4996785049
3	7.30229762834	5.53112582693	-1.66808169007	6.22709928215	-1.46913292259	4.26241645341	0.47870418011	-0.44755202999	1.08640544972	0.357772595258	-0.312501121204	1.10190681498	-0.779535571392	0.273332416759	-0.12215067303	0.898992967698	0.0903136986711	0.164627473876	0.451770512785	-0.0533132591427	0.791999721424	-4.66436819717	64.8627325598	15.262732236
4	5.46355249582	-3.44598249839	0.0447198978196	5.21805043804	-0.00831145252225	1.52431398007	-0.0644129028	-0.0750128345328	0.103751588139	-0.107784960448	-0.0262215626992	-0.0406669112455	0.161657441886	0.00911369231199	0.0912977422898	0.348886725924	-0.0510154019738	0.0352228037071	0.391792411481	-0.0252100905226	0.26543174958	-1.09005512544	31.4984699454	13.3007658265
5	1.96096415895	0.535691816386	0.499163115919	7.68336009046	3.29571746891	2.69955058995	-0.0374450929779	-0.0815307450402	-0.00134571761564	-0.181330756232	-0.0340668010458	-0.164298386133	-0.304652155897	0.00652568062158	0.0245502749593	0.40533455158	-0.136470517449	-0.0338709768831	0.464478322024	0.0821115096479	0.330804395559	25.1077701488	54.2889418021	-3.33094859065
6	8.90086602957	-4.84199688027	-1.94496246414	4.99739855844	4.05112761311	4.02375060815	0.17757477374	0.70536083493	-0.442786658106	-0.513073258901	-0.686941726024	0.37984555658	-0.698407840005	-0.645337385941	0.662182286301	0.507920269582	-0.123668174223	0.0317641301671	0.646911854335	0.0140920812404	0.493146860059	23.3014850534	59.8899207581	-6.31763384249
7	2.7187578112	3.41377348112	-1.11132696644	7.43319722614	-0.982620863806	1.5703167998	-0.0402237574588	-0.0393802664619	-0.307253390705	0.0614702563979	-0.082744547534	-1.12094844067	-0.238227467726	0.372923011332	0.132567783592	0.297960854082	-0.0458272367401	-0.0555780142895	0.477481298515	0.0147736170403	0.361260690494	28.4731969754	46.4062322043	0.149109003593
8	8.65219428203	1.01509769334	1.15006363567	3.16775268223	0.344781008633	2.93284759712	0.0576301957639	0.217041232315	-0.0482296036416	0.0547599405236	-0.0781181034285	0.222474923571	0.218671969191	-0.431702160006	0.0232343174503	0.341708679936	-0.0270702657142	0.0465482321488	0.315513543792	-0.0084513316402	0.214577456768	6.79072672077	28.6090056274	-0.960599312221
9	7.34348194112	1.46154221282	-2.36499899533	7.43481847475	-1.40488167288	8.07660950543	-0.221204668969	-0.476576782189	-0.072819850677	0.953907188861	-0.449401225841	0.578024319461	-0.00241759980319	-0.429448455177	0.622795924883	0.734633780156	0.0604481465785	0.146952624262	0.421389881036	-0.0847878820343	0.573298273434	13.6053014017	10.9393471132	-2.95952992247
10	3.51620921184	0.190850938661	0.133761094146	5.78467234954	0.352053356631	8.47729039564	-0.0668428997329	0.446513609348	0.185811738709	-0.584389981958	0.0799904571865	-0.20732976676	0.181307958361	0.459098449894	-0.051187515169	0.349820114871	-0.00726352393311	0.0916777081743	0.435541370294	0.0441297700027	0.342817172559	27.5929865359	23.9068522116	-18.0527717588
11	8.77393019088	3.20548453135	-1.0450243061	7.08259385468	3.96312569824	8.00536358685	0.220242100299	0.0196702534138	-0.333330279146	-0.409264146547	0.184665323893	-1.33622284771	0.455442029264	1.2918591421	-0.489065253799	0.513091578977	0.198728804961	0.0737122620829	0.652048911795	0.0288910926819	0.670489101032	36.7779056543	20.616498847	-14.2337313824
12	5.043428938	-3.60613877083	1.34225968081	8.93185751686	0.584767850005	2.8387685906	0.360008176665	0.256664747566	0.287614280326	-0.221052272839	-0.362243141392	-0.705599767929	0.336515394023	0.189290234947	0.0141758492942	0.381170006053	-0.0374063172456	0.0583642960971	0.403948553547	0.0471995497983	0.340022551717	26.3447064409	19.3407798628	-16.0834475675
13	4.22970714273	2.5461273406	-5.44115733697	4.55038556076	-3.55393003947	9.89126284554	0.0322595225498	0.0109592091583	0.00636286294952	-0.0733921006498	-0.0370046432642	0.468801367062	0.33739388129	0.0939676788598	0.130828845946	0.83831509433	0.0561987290127	0.0534288577662	0.461376261187	-0.0523174632659	0.579030630811	24.2386389103	-5.32996361759	-10.5773314275
14	3.54223138159	5.69788453913	-1.1727488089	9.20240320325	-1.73812021628	2.93828468709	0.073404599919	0.733437869084	-0.431617115769	0.231894312022	0.146892386168	-0.198694978669	0.709362414508	0.166209144784	-0.164530932118	0.686402497656	0.0594422061902	0.042016131542	0.40177473308	-0.0556675852524	0.376761839228	24.047032116	4.74761020525	-11.4701040672
15	9.01570034637	-0.475896559372	-2.74094426663	6.1463195254	-0.172036676111	2.9215326135	-0.224697902935	-0.435351783689	-0.625142754847	0.683090843674	0.0714347486465	0.0515487775723	0.456180694572	0.00715276945338	0.172921828278	0.990190300693	0.0127595477339	0.0779352354699	0.330273439367	0.0406383077182	0.448620300139	19.8836571683	2.06713542248	-1.60369508568
16	8.44531059798	-5.81674665306	-0.391688199887	8.96229943639	1.32361984217	2.80458475138	-0.306491850444	-1.5358136024	-0.723539331571	1.04139767414	0.238543854439	-1.43895330234	0.333633583707	0.377063333687	0.111716413353	0.912318910181	0.207763523235	-0.201777345409	0.592260960798	0.0983797777137	0.887277768065	35.848975404	1.18832075756	-2.49070415515
17	4.56255827365	2.67168491675	2.03858489691	8.29680916616	-1.22513491879	5.26535282358	0.0973829104305	-0.00817895697288	-0.357224473923	0.696555629959	-0.415015666245	-0.588848251262	0.277221434125	0.154447819258	0.3039294898	0.67708182473	0.112744336432	0.0812638521869	0.446613082633	0.00645442973699	0.37233725705	29.3155701378	4.81326990209	-4.87644575292
18	4.23932697795	-2.79055752752	-2.97414221858	6.94377377038	5.33778710342	4.11525334505	-0.281479187528	-0.477598601001	-0.110995514163	0.0327551060147	0.498013914201	-0.201378148827	-0.0381379833194	0.406378771191	-0.177606946053	0.295271069301	0.0614714675243	0.0180003891111	0.492865341707	0.063193287526	0.36019736452	-18.5400260018	23.3275150549	22.1345628365
19	5.54125472715	1.06086965182	-2.07030451088	6.21700169207	-2.34763528111	7.44837709895	0.0196610571673	-0.182459798506	0.693036747739	0.323041994588	0.217952135791	0.262827608163	-0.572826954984	-0.592347849193	-0.263010646478	0.404221151876	0.0843781083917	0.048462720765	0.484594965796	-0.126728158549	0.435227032885	-22.3595390991	39.6825582026	27.8937100835
20	8.73038582399	3.22042375578	-0.174558853823	2.3148792209	-1.65814908108	2.37772162389	-0.0713642328124	-0.414742341328	0.117942753353	-0.275301463864	0.0334496180037	0.111148086626	0.0194719520549	-0.0903610765183	0.0725912696354	0.444772815123	0.0495478305826	0.0047780018019	0.466916507665	-0.0915034730807	0.255957710224	-19.1848683826	33.6586959478	29.0914580635
21	8.96705310161	1.26307890457	-5.03683949161	3.25167751582	-0.424555405603	5.33333997563	0.364767854961	-0.303340646658	0.74755203185	0.629053905947	0.202232498033	-0.0152983545082	-0.184859357743	-0.237189588978	-0.566630715321	0.373763837858	0.089557167207	-0.00579983896374	0.559239260106	-0.0201969558402	0.348270074028	-36.417991942	29.0113172691	35.192773402
22	5.29615208376	-1.23046215341	-1.85422586255	3.80722659841	5.41434038753	7.67113291956	-0.00590772064145	-0.323614926018	-0.0695799614104	-0.106566198319	0.461215645797	-0.239595575167	0.466516941677	-0.394752157915	-0.460271659617	0.737598901111	0.101747130915	0.0224439319213	0.402559155078	0.110475993371	0.40595797988	-34.3112544417	12.3864063543	25.9067210283
23	5.08301164466	-0.342238763405	-3.20609792742	6.65580874798	2.90369864466	7.7214726395	-0.169549637326	-0.307533674442	-0.0546985122048	0.208493913443	0.267618520675	-0.444220965429	0.418745718884	0.652939249077	-0.058930107721	0.255156766686	0.0972088047458	-0.0127934965323	0.379176660813	0.0454616451508	0.294727529045	-24.455968258	16.3214531848	21.5708295624
24	3.30704099229	-0.502164738948	-4.56409083189	1.84358181605	1.31354976451	6.49771931776	0.133056361822	1.04713587471	0.149531736713	-0.609147452699	-0.0841702405314	0.0811437042712	-0.343632351565	-0.384961221029	0.0150252081936	0.541346393656	0.0858241394978	0.00933122676631	0.463488128065	0.0579656226834	0.370010066835	-36.00512897	19.1142309538	14.9949366103
25	4.78427301078	3.28265968388	0.42280434701	5.17599892248	-0.00225871515633	4.85697681896	-0.116991698204	-0.00236490391317	0.157354301501	-0.425716386323	0.228112387576	0.0115653971646	0.116100035405	-0.00706047220498	-0.10841407607	0.373263973861	0.095782187448	-0.0270745756458	0.393598718944	0.022363735868	0.261455085594	-31.2661710946	21.1262846568	18.0171350656

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 242 through 271 )	A	A	242 - 271	1 - 30
2	2	chain 'A' and (resid 272 through 288 )	A	A	272 - 288	31 - 45
3	3	chain 'A' and (resid 289 through 339 )	A	A	289 - 339	46 - 96
4	4	chain 'A' and (resid 340 through 450 )	A	A	340 - 450	97 - 207
5	5	chain 'B' and (resid 242 through 282 )	B	C	242 - 282	1 - 41
6	6	chain 'B' and (resid 283 through 303 )	B	C	283 - 303	42 - 62
7	7	chain 'B' and (resid 304 through 352 )	B	C	304 - 352	63 - 111
8	8	chain 'B' and (resid 353 through 451 )	B	C	353 - 451	112 - 210
9	9	chain 'C' and (resid 9 through 21 )	C	D	9 - 21	1 - 13
10	10	chain 'C' and (resid 22 through 55 )	C	D	22 - 55	14 - 47
11	11	chain 'C' and (resid 56 through 75 )	C	D	56 - 75	48 - 67
12	12	chain 'C' and (resid 76 through 101 )	C	D	76 - 101	68 - 90
13	13	chain 'C' and (resid 102 through 128 )	C	D	102 - 128	91 - 117
14	14	chain 'C' and (resid 129 through 147 )	C	D	129 - 147	118 - 136
15	15	chain 'C' and (resid 148 through 162 )	C	D	148 - 162	137 - 151
16	16	chain 'C' and (resid 163 through 172 )	C	D	163 - 172	152 - 161
17	17	chain 'C' and (resid 173 through 201 )	C	D	173 - 201	162 - 190
18	18	chain 'D' and (resid 7 through 33 )	D	E	7 - 33	1 - 27
19	19	chain 'D' and (resid 34 through 66 )	D	E	34 - 66	28 - 60
20	20	chain 'D' and (resid 67 through 89 )	D	E	67 - 89	61 - 83
21	21	chain 'D' and (resid 90 through 101 )	D	E	90 - 101	84 - 95
22	22	chain 'D' and (resid 102 through 128 )	D	E	102 - 128	96 - 115
23	23	chain 'D' and (resid 129 through 155 )	D	E	129 - 155	116 - 142
24	24	chain 'D' and (resid 156 through 172 )	D	E	156 - 172	143 - 159
25	25	chain 'D' and (resid 173 through 201 )	D	E	173 - 201	160 - 188

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