PDB-7f4t: Crystal structure of SAM-bound TthMTA1-Ptep2 complex

ID or keywords:

Entry

Database: PDB / ID: 7f4t

Title

Crystal structure of SAM-bound TthMTA1-Ptep2 complex

Components

MT-a70 family protein
Ptep2

Keywords

DNA BINDING PROTEIN / Protein Complex

Function / homology

Function and homology information

mRNA m6A methyltransferase / mRNA m(6)A methyltransferase activity / RNA N6-methyladenosine methyltransferase complex / methylation / nucleus
Similarity search - Function

Biological species

Tetrahymena thermophila SB210 (eukaryote)

Paramecium tetraurelia strain d4-2 (eukaryote)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.68 Å

Authors

Chen, J. / Liu, L.

Funding support

China, 1items

Citation

Journal: Nat Commun / Year: 2022
Title: Structural basis for MTA1c-mediated DNA N6-adenine methylation
Authors: Chen, J. / Hu, R. / Chen, Y. / Lin, X. / Xiang, W. / Chen, H. / Yao, C. / Liu, L.

History

Deposition	Jun 21, 2021	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Jun 15, 2022	Provider: repository / Type: Initial release
Revision 1.1	Nov 29, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7f4t.cif.gz	619.4 KB	Display	PDBx/mmCIF format
PDB format	pdb7f4t.ent.gz	452.4 KB	Display	PDB format
PDBx/mmJSON format	7f4t.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	7f4t_validation.pdf.gz	1.4 MB	Display	wwPDB validaton report
Full document	7f4t_full_validation.pdf.gz	1.4 MB	Display
Data in XML	7f4t_validation.xml.gz	57.8 KB	Display
Data in CIF	7f4t_validation.cif.gz	75.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/f4/7f4t ftp://data.pdbj.org/pub/pdb/validation_reports/f4/7f4t	HTTPS FTP

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Related structure data

Related structure data	7f4lC 7f4mC 7f4nC 7f4oSC 7f4pC 7f4qC 7f4rC 7f4sC S: Starting model for refinement C: citing same article (ref.)
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	#139 - Jul 2011 DNA Methyltransferase similarity (1)

Deposited unit

A: MT-a70 family protein

E: MT-a70 family protein

H: MT-a70 family protein

K: MT-a70 family protein

B: Ptep2

D: Ptep2

G: Ptep2

J: Ptep2

hetero molecules

176 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: MT-a70 family protein

B: Ptep2

hetero molecules

defined by author&software
Evidence: gel filtration
44 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

E: MT-a70 family protein

D: Ptep2

hetero molecules

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

3

H: MT-a70 family protein

G: Ptep2

hetero molecules

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

4

K: MT-a70 family protein

J: Ptep2

hetero molecules

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

Unit cell

Length a, b, c (Å)	98.130, 110.193, 102.636
Angle α, β, γ (deg.)	90.000, 91.642, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb
Symmetry operation	#1: x,y,z #2: -x,y+1/2,-z

#1: Protein	MT-a70 family protein Mass: 28481.586 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Tetrahymena thermophila SB210 (eukaryote) Gene: MTA1 / Production host: Escherichia coli K-12 (bacteria) / References: UniProt: Q22GC0
#2: Protein	Ptep2 Mass: 15096.497 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Paramecium tetraurelia strain d4-2 (eukaryote) Production host: Escherichia coli K-12 (bacteria) / References: UniProt: A0DWP1
#3: Chemical	ChemComp-SAM / S-ADENOSYLMETHIONINE Mass: 398.437 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₅H₂₂N₆O₅S / Feature type: SUBJECT OF INVESTIGATION
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 12 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	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: 3.48 Å³/Da / Density % sol: 64.67 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, hanging drop / Details: 0.1M HEPES, pH 6.8, 0.2M NaCl, 10% PEG 8000

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL19U1 / Wavelength: 0.97853 Å
Detector	Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jan 14, 2021
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97853 Å / Relative weight: 1
Reflection	Resolution: 3.65→50 Å / Num. obs: 18100 / % possible obs: 99.4 % / Redundancy: 4.6 % / B_iso Wilson estimate: 14.95 Å² / R_pim(I) all: 0.063 / Net I/σ(I): 10.3
Reflection shell	Resolution: 3.65→3.71 Å / Mean I/σ(I) obs: 1.125 / Num. unique obs: 1209 / R_pim(I) all: 0.515

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Processing

Software

Name	Version	Classification
PHENIX	1.17.1_3660	refinement
PHENIX	1.17.1_3660	refinement
HKL-3000		data reduction
HKL-3000		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 7F4O

7f4o

Resolution: 3.68→49.04 Å / SU ML: 0.5902 / Cross valid method: FREE R-VALUE / σ(F): 1.43 / Phase error: 30.357
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.3288	915	5.06 %
R_work	0.2835	17185	-
obs	0.2857	18100	76 %

Solvent computation

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

Displacement parameters

B_iso mean: 61.3 Å²

Refinement step

Cycle: LAST / Resolution: 3.68→49.04 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10605	0	108	12	10725

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0081	10908
X-RAY DIFFRACTION	f_angle_d	1.0163	14700
X-RAY DIFFRACTION	f_chiral_restr	0.1864	1604
X-RAY DIFFRACTION	f_plane_restr	0.0041	1878
X-RAY DIFFRACTION	f_dihedral_angle_d	21.779	4008

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 (%)
3.68-3.88	0.4555	4	0.277	112	X-RAY DIFFRACTION	3.45
3.88-4.12	0.3694	60	0.2787	1279	X-RAY DIFFRACTION	39.57
4.12-4.44	0.3148	151	0.2684	2889	X-RAY DIFFRACTION	90.02
4.44-4.88	0.2906	146	0.2533	3208	X-RAY DIFFRACTION	99.23
4.88-5.59	0.3135	183	0.2872	3208	X-RAY DIFFRACTION	99.56
5.59-7.04	0.383	201	0.3291	3204	X-RAY DIFFRACTION	99.71
7.04-49.04	0.3298	170	0.2975	3285	X-RAY DIFFRACTION	99.25

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	0.281324901427	-0.0881124564974	-0.19202778285	0.400788327025	0.0166608986482	0.133189300547	0.0930375587055	-0.77546221511	0.178915785081	1.05245338892	0.00437287624343	-0.377712803521	-0.0527147407369	0.247097650275	0.108808971241	1.17113612695	-0.0882947299952	-0.191317237428	0.770237731433	-0.0930480427251	1.22352895212	-22.0835634699	-25.5973535411	8.37362514231
2	1.41226483484	0.0136765692794	0.0338075111327	1.34341481663	0.345479029322	0.717778600002	-0.172367185651	-0.111676246285	-0.348547785713	0.0608713926869	-0.156731100327	0.109839563215	0.0969602141584	-0.0245620063201	0.0507257868378	0.0941288900957	0.0554527624536	0.339220715128	0.0074103667554	0.282909782282	-0.0629701654752	-27.676559407	-13.7179322751	-20.4355084708
3	0.359908809722	-0.0633708215475	-0.252907801051	1.15341620539	0.573436126116	0.859413202311	0.420278555106	0.0640785292252	0.262306659453	0.257503513508	-0.366697717079	-0.267809650396	-0.577421486329	0.193110896573	-0.00549325767159	-0.673033027429	0.286484374665	-0.381364915657	-0.032861725667	0.0917945744787	-0.315783616012	-29.0352731809	-2.17077610613	-28.0287413396
4	0.661742757645	0.0874109250933	-0.128240688851	0.9170364013	0.00342376434475	0.242648709482	-0.150571634771	0.452360843029	0.413972571719	-0.197609688765	-0.469886472582	-0.218870682771	-0.487532936506	0.478512518032	-0.0199432330622	-0.384975967334	0.230579777716	0.218244253716	-0.122749346656	-0.0774561951214	0.0722105059052	-36.2811429182	8.3440663872	-22.3024656298
5	0.878714425734	0.235953155119	-0.280178557687	1.5873714888	0.214428937496	0.908223158589	0.0435135852593	-0.379045480217	0.223600005353	0.695915116252	-0.0901750322444	0.101509018052	-0.272118893482	0.222926538606	-0.0617391891488	0.226730030004	-0.0860239220829	0.0537156750311	0.0735720271733	-0.0747159457597	0.106848440489	-37.929960142	11.0240131402	-10.0372800862
6	1.28508194751	-0.237857176465	-0.669729107304	1.61705820758	0.274579387806	0.350296800347	0.0132707610496	0.0985195492374	0.0170308800514	0.228539659521	-0.159061555596	0.0905574632	-0.0465694828098	0.0257211743481	0.0259680126914	0.376917536408	0.0101534350222	-0.0428744659974	0.187490961151	0.00108906348228	0.152252776058	-44.6244628254	-0.529213978687	-18.717850447
7	0.547387251024	-0.339321464904	-0.186220855637	0.713993461114	0.00979528957684	0.194207470959	0.326504965406	-0.0336896743079	0.0112715295737	0.164494734768	0.14869439439	0.173739640722	-0.0042905560092	-0.373308570146	0.0200097677143	-0.449738721911	0.842871131653	0.737932689762	-1.16314540452	-0.975298200326	-0.636758693302	-37.0609857609	-7.85261584274	-19.3093396083
8	0.002316625134	-0.0295117357191	0.0334522758353	0.449345577689	-0.571534249361	0.709924260383	0.196885868713	-0.15878228819	-0.248435230664	0.34161036233	-0.285196467932	-0.327579628051	-0.116813207741	0.512848684457	0.214968537393	1.15495080323	-0.021624490321	0.316436399785	1.42460536783	0.494501440835	1.19511490768	20.8108083651	-21.9197713946	-16.7436735759
9	0.70603657867	0.0387328643106	-0.310106397539	1.31533048139	-0.366842526153	1.47360762005	-0.342346828861	0.00668280309114	0.449277900689	0.0701789233278	-0.478731865873	-0.0612628369719	-0.652243847443	0.104642638301	-0.00318856273486	0.136966695451	-0.0356433067166	0.00974824916873	-0.405274372701	0.336048246659	-0.0586320945305	-7.93965852512	-16.3192621759	-39.7026871259
10	1.32116770384	0.0916142093074	-0.192579942956	1.17988867346	0.327709956484	1.04232343664	0.20004250479	0.0806464362561	-0.369401571913	-0.0305042847608	-1.01407079824	-0.450882047707	-0.295993188298	0.615153809444	0.0531130977692	0.338503406061	0.288426813537	0.26530804633	0.0836599351935	-0.451868350663	-0.453287561231	-11.1670216957	-29.685181649	-43.7469504444
11	0.384580871971	0.0940388830708	0.0700199074997	0.0305886641302	0.0235354806247	0.0112297202595	-0.0036528488253	-0.162396685931	-0.0626278952555	0.0537708983391	-0.169160153769	-0.748443881006	-0.0952395357637	0.730825769842	0.0388933549218	1.03153235654	0.141042124311	-0.200435421578	1.0548091209	-0.00457230725715	1.78570252865	-11.6112444729	-19.0726238067	8.58711522048
12	1.0217965139	0.408673343437	0.308222997586	1.64453747284	-0.572291902534	1.36690546808	0.0104288163394	0.051373182728	0.120055622471	-0.159882975673	-0.0145764845815	-0.463687258198	-0.201570736636	0.331346968642	0.0304282079333	0.465764698521	-0.16151648169	0.376492004711	0.289970637725	-0.152012211255	0.685819368372	-40.5814972431	-14.5578833689	12.3667158956
13	0.9495240781	0.109358376118	-0.0935596636462	1.45215625709	-0.115805577886	1.19487114623	0.203145955607	-0.676829018087	0.397362878798	-0.0109117448152	-0.538210791838	-0.0555159285231	-0.45297261992	-0.0411357430962	-0.00728363631896	0.406974230247	-0.395835576011	0.361917210118	-0.0204770421402	0.125657332816	0.142031182086	-54.0090316913	-26.7876666571	19.7639722201
14	1.0919222076	-0.073193606418	-0.129979020337	1.24765124963	-0.0965879038084	1.37708640094	0.00726600407365	-0.0586835979435	0.49989984216	-0.369011158153	-0.196067504027	0.0758385305097	-0.359119853591	-0.0354741806799	0.00868914193613	0.237206283108	-0.209347647102	0.41581817377	0.370190720286	-0.0174224982489	-0.259410764074	-55.5522532284	-35.5436815671	11.9710825926
15	0.657963568505	0.403383895727	-0.00732519961206	1.56440366966	0.462769880902	1.34964616613	0.638625505917	0.00874977899485	0.085648690759	-0.281247501057	-0.0265590114337	-0.216389194191	-0.022357183295	0.407353708709	0.0212313145522	-0.238399857217	-1.45341236204	0.767072771169	-1.76955478719	0.33970656318	0.606666878542	-46.4929388839	-25.1638799378	10.0937921379
16	-4.76553817219E-5	0.0125452047097	-0.00328085022922	0.00692970993146	0.00516228453272	-0.00173485335052	0.181431429069	-0.623891918648	-0.419288729527	0.717327230662	-0.101672817485	0.271288883833	0.724787983204	0.0104783213377	-0.00446742028143	1.7056132116	-0.126156849852	0.15559545143	1.40639527072	0.190517460602	1.85636772126	-81.4982344795	-24.8483855258	-25.6181381396
17	0.958612649511	-0.0049081086343	0.219312380889	1.5214709066	0.409283193748	1.61688786189	0.0820300897607	0.0580657209912	-0.598175014715	0.0341730027423	-0.0832763976208	-0.221501317035	0.883626307705	0.712477020683	-0.031981692665	0.440141983166	0.0488436644648	-0.0247962976884	0.838531245941	0.554976063069	0.940765926011	-61.2209517901	-11.1405615901	-51.6484098643
18	1.96949118278	-0.110842448124	0.144602168571	1.17385504896	-0.410500385777	1.68107476395	0.321108113762	-0.187935190411	-0.163510589934	-0.0175692832234	-0.11781784358	-0.386619488073	0.303787584927	0.841102733642	0.01777832636	0.155629362462	0.105447398879	-0.0794074895695	0.775244134453	0.298417682849	0.730519228054	-61.6764111058	4.07418590039	-53.1107405927
19	1.4255976012	-0.105282242148	0.604076257932	1.74538144109	0.0256992516539	1.49960775377	0.658880373841	0.111703604984	-1.04773051135	0.227400185314	0.0354961169388	-0.19996146719	0.499364514255	0.453886919698	0.116604646464	0.283581594995	-0.102272021012	-0.00386229458409	0.37241415986	0.406209006281	0.34698424113	-73.9796217473	3.62825782848	-55.7302127735
20	0.870953364763	0.195564635046	0.29530352203	1.34037178393	0.310872829102	1.79693819373	-0.345691019431	-0.200426954948	-0.393020328807	0.0456590080445	0.127170177362	0.039923708351	0.454604012736	-0.25043529439	-0.0426758192634	0.416236014414	0.285595628004	0.223533982842	-0.0407524612475	0.00905905571248	0.125220752107	-29.2630997539	-21.920491408	-21.7146090392
21	1.55773851449	0.0570171984649	0.764934280786	0.984268080927	-0.619678306837	1.34127440933	-0.101994172957	-0.100197415136	-0.526137461167	0.167986270576	0.0922761137893	-0.822377910166	0.391572715057	0.747974426027	-0.0090011700955	0.374038007363	0.178197754087	-0.0905500486197	0.575015343227	-0.0721523318823	0.862932504169	-11.6540741057	-26.8096498559	-9.7792040347
22	1.95500572454	0.190057069601	0.617481420429	1.65480979079	0.296356385512	1.45954224645	0.129996683064	-0.238738334219	-0.443592099748	0.404375393908	-0.0805909317341	-1.07005620503	0.0999783069135	0.774968109009	0.0277154996722	0.625188485877	0.315969018204	-0.210268676282	0.71325056342	0.0188766965794	0.726514654696	-7.53541835054	-29.6577990967	-0.649647102831
23	0.56552831196	0.609613974578	0.290552016697	0.938318552788	-0.278255579393	1.33740380688	0.243531683561	-0.530256701709	-0.748914344229	0.551370799447	-0.0412271030965	-0.491536887981	0.586949892255	0.233840644037	-0.103105675166	0.66138189114	0.134935602601	-0.249396149575	0.836489026274	0.301776148012	1.07036250008	-19.5068805795	-41.6340941863	4.42755826977
24	2.43890637424	0.70417847427	0.329939844884	2.16010320624	1.0178195329	1.79669078229	-0.276956879106	0.405018739495	0.683000012941	0.0843285122344	0.0774375748605	-0.582539427898	-0.513609839041	0.540394343062	0.191170362881	0.404411856377	-0.256941525186	0.3891198579	0.0115094308809	0.263625650064	0.817304764763	3.28748853405	-9.76842152694	-36.921895492
25	4.29172241498	1.1378811208	-1.55898993115	4.65486831628	2.4876930707	4.23375450405	0.36983089399	-1.08258495706	0.526931496611	1.03063513848	-0.3268193782	-0.556132889876	0.00532079497596	0.503152396747	-0.0382606997641	1.32846409161	-0.572285211584	-0.143816583292	1.28934236212	-0.0151758056369	1.12905089358	8.28494714926	-1.273880424	-13.5144583055
26	2.44987153692	3.01763209695	-0.458645494428	4.14320992528	0.906840459411	5.13267302345	0.383082401914	-1.46553088765	0.585677587677	1.44697671716	-0.448659715063	-0.418556130484	0.0165764492995	0.363680657846	0.0661274259381	1.90497561361	-0.361683752809	-0.0427513292234	1.55139676558	0.0794789451024	1.19503795515	6.86699933863	-6.4967072339	-7.43315597837
27	1.89816125951	0.952460402718	0.612169852212	0.576548912658	0.836063882835	3.05999310556	0.367322939561	-1.09881225165	0.377184006701	1.30473535964	-0.460023347533	-0.524481195735	0.142733569026	0.506164095319	0.102923212061	1.29501706276	-0.508593835466	-0.231817279457	0.988579265044	-0.0246788007589	1.11991817372	4.73787563755	-10.2055690856	-12.5024517323
28	0.90866357594	-1.70249918233	-1.71834454891	4.31660648854	2.16022956958	4.25442441593	0.201281122231	-1.10061585479	0.190805463533	1.20613683805	-0.00603327138133	-1.10836238893	-0.0389117984427	0.921458812326	-0.168794647584	0.868245492745	-0.516111630685	-0.604092236346	1.12426550042	0.17517126502	1.03803772249	17.2329672768	-7.90442223996	-15.3766655679
29	1.76291365676	0.479554876073	-0.139749985717	2.38198129047	1.21744496722	0.711373292304	0.248858198159	-1.40591474678	-0.25369583819	1.43932684314	0.0146631989961	-1.52695150873	0.433351142054	1.19730463976	-0.293003297257	1.67191789665	-0.0355435678435	-0.602143345907	1.9201000616	0.0685129272145	1.94517574194	24.244404268	-11.8845451518	-12.5106750664
30	2.00006171421	2.00091497738	-4.9625927304	3.86008456087	1.84361931271	0.881357783211	0.232248623866	-1.67917336235	0.213825268173	1.86124623863	0.306938351993	-0.146334797588	0.317413379664	-0.00204105758264	-0.579654168118	1.78165346921	-0.343327974746	-0.627734728453	1.76779894615	-0.144671604701	1.44943695095	22.8270622414	-7.09599438987	-5.739844494
31	3.6150008793	0.998476494449	-0.822703062811	2.78952389652	1.1883419773	2.94800910033	0.362493149141	-1.12094259847	0.653572092494	0.896407232805	0.0200694148141	-1.07761294437	-0.153025576355	0.988796107947	-0.347344555859	0.920455109359	-0.152351238147	-0.629192754097	0.684577233815	-0.108402222963	1.1109297363	21.51033457	2.5863795977	-15.4900627169
32	6.12998485194	0.531825053303	0.110676072176	2.01030644827	1.47600477271	1.09513533641	0.15752207226	-1.04298749125	-0.274118090724	1.16925381084	0.301244558991	-1.46739779559	0.157659700248	1.02537045364	-0.478135500996	1.30803641941	-0.146281910838	-0.531144606172	1.59091779534	-0.195066868743	2.10708505487	30.424841401	-13.6089211456	-19.0325691398
33	2.62872233563	1.10148655495	0.247795107772	2.41879759718	-0.200566457285	1.68970657379	0.0926358184757	0.299314389563	0.673695633719	0.349477114169	0.111876153732	0.151330342656	-0.415667197649	0.290076802518	-0.143405904523	0.733886389417	-0.400642635177	0.285746506983	0.631754266792	-0.101755523856	0.623758268726	-38.5701889182	-9.31106100193	10.2864967522
34	2.62502330416	1.55690680492	0.909736143493	2.35831663418	-0.5205679503	1.11495030283	0.0938557544543	0.732008315587	0.15123049543	0.241694544836	-0.210048294909	-0.559913823572	-0.449909780858	1.17052313458	-0.0582890409199	1.30304274714	-0.38474843398	-0.154713761297	1.2634236477	-0.166082780681	0.848529078151	-12.1315388014	-4.03284186544	13.7869270073
35	1.01068863477	-0.170460539627	0.191290825082	2.0895250963	-0.29250650879	1.55742076156	0.236074809451	-0.842140046463	-0.429627012535	0.0638873895061	-0.153559220174	-0.369591739019	0.728557226962	0.305322404262	0.145899498224	1.04629102177	0.350756621403	0.1187477621	1.33320506734	0.483085998779	1.19624010093	-61.9025470533	-20.7852322345	-42.0455491183
36	0.310625024763	-0.928606394439	0.410737025635	2.79680967823	-1.29975870312	3.40623872622	0.0595941081715	-0.875402008508	-0.701805088835	0.776022348231	-0.169486497004	-0.0694139777297	0.628035804368	-0.19107296373	0.0172199137392	2.01090137252	-0.0749814087489	-0.148514301522	1.92915602687	0.961527644706	1.00721091828	-65.5717196992	-27.0325316265	-20.4363008409
37	0.569412333507	0.0101812690093	0.607490113351	0.931216279384	-0.837707453938	1.4194372856	0.155786560455	-0.856951838624	-0.603266136617	0.369534406277	0.00412726955698	0.275779537892	1.06337938031	-0.546672022352	-0.186936396177	2.02737293366	-0.228861352384	-0.00841400054928	2.24671523226	0.748747241105	1.69848950542	-73.9416193782	-40.0133304585	-26.3276578446

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 140 through 166 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 167 through 189 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 190 through 246 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 247 through 280 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 281 through 307 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 308 through 335 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 336 through 372 )
8	X-RAY DIFFRACTION	8	chain 'E' and (resid 140 through 165 )
9	X-RAY DIFFRACTION	9	chain 'E' and (resid 166 through 231 )
10	X-RAY DIFFRACTION	10	chain 'E' and (resid 232 through 372 )
11	X-RAY DIFFRACTION	11	chain 'H' and (resid 140 through 165 )
12	X-RAY DIFFRACTION	12	chain 'H' and (resid 166 through 187 )
13	X-RAY DIFFRACTION	13	chain 'H' and (resid 188 through 291 )
14	X-RAY DIFFRACTION	14	chain 'H' and (resid 292 through 327 )
15	X-RAY DIFFRACTION	15	chain 'H' and (resid 328 through 372 )
16	X-RAY DIFFRACTION	16	chain 'K' and (resid 140 through 165 )
17	X-RAY DIFFRACTION	17	chain 'K' and (resid 166 through 198 )
18	X-RAY DIFFRACTION	18	chain 'K' and (resid 199 through 246 )
19	X-RAY DIFFRACTION	19	chain 'K' and (resid 247 through 372 )
20	X-RAY DIFFRACTION	20	chain 'B' and (resid 4 through 35 )
21	X-RAY DIFFRACTION	21	chain 'B' and (resid 36 through 57 )
22	X-RAY DIFFRACTION	22	chain 'B' and (resid 58 through 102 )
23	X-RAY DIFFRACTION	23	chain 'B' and (resid 103 through 128 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 4 through 43 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 44 through 61 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 62 through 68 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 69 through 77 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 78 through 86 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 87 through 91 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 92 through 96 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 97 through 117 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 118 through 128 )
33	X-RAY DIFFRACTION	33	chain 'G' and (resid 5 through 43 )
34	X-RAY DIFFRACTION	34	chain 'G' and (resid 44 through 128 )
35	X-RAY DIFFRACTION	35	chain 'J' and (resid 5 through 57 )
36	X-RAY DIFFRACTION	36	chain 'J' and (resid 58 through 100 )
37	X-RAY DIFFRACTION	37	chain 'J' and (resid 101 through 128 )

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