PDB-6xrf: EagT6 Tse6 NT complex

ID or keywords:

Entry

Database: PDB / ID: 6xrf

Title

EagT6 Tse6 NT complex

Components

Effector EagT6
PAAR motif family protein

Keywords

CHAPERONE / EagT6 / Tse6 / Type VI secretion / T6SS

Function / homology

Function and homology information

protein secretion by the type VI secretion system / NAD+ glycohydrolase / toxin sequestering activity / NADP+ nucleosidase activity / NAD+ nucleosidase activity / membrane
Similarity search - Function

Biological species

Pseudomonas aeruginosa (bacteria)

Method

X-RAY DIFFRACTION /

MOLECULAR REPLACEMENT / Resolution: 2.56 Å

Authors

Sachar, K. / Ahmad, S. / Whitney, J.C. / Prehna, G.

Funding support

Canada, 1items

Citation

Journal: Elife / Year: 2020
Title: Structural basis for effector transmembrane domain recognition by type VI secretion system chaperones.
Authors: Ahmad, S. / Tsang, K.K. / Sachar, K. / Quentin, D. / Tashin, T.M. / Bullen, N.P. / Raunser, S. / McArthur, A.G. / Prehna, G. / Whitney, J.C.

History

Deposition	Jul 12, 2020	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 30, 2020	Provider: repository / Type: Initial release
Revision 1.1	Mar 6, 2024	Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2 Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6xrf.cif.gz	700.2 KB	Display	PDBx/mmCIF format
PDB format	pdb6xrf.ent.gz	492.5 KB	Display	PDB format
PDBx/mmJSON format	6xrf.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/xr/6xrf ftp://data.pdbj.org/pub/pdb/validation_reports/xr/6xrf	HTTPS FTP

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Related structure data

Related structure data	6xrbC 6xrrC C: citing same article (ref.)
Similar structure data	6v4c-d 4mld-1 6vdt-d 3k6x-2 1acd-1 4ml3-2 4bie-2 2j0t-3 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

6xrbC

6xrrC

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	#32 - Aug 2002 Chaperones similarity (1) #244 - Apr 2020 Photosynthetic Supercomplexes similarity (1)

Deposited unit

A: Effector EagT6

B: Effector EagT6

C: PAAR motif family protein

D: Effector EagT6

E: Effector EagT6

F: PAAR motif family protein

G: Effector EagT6

H: Effector EagT6

I: PAAR motif family protein

119 kDa, 9 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Effector EagT6

B: Effector EagT6

C: PAAR motif family protein

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

2

D: Effector EagT6

E: Effector EagT6

F: PAAR motif family protein

defined by author&software
39.5 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

G: Effector EagT6

H: Effector EagT6

I: PAAR motif family protein

defined by author&software
39.5 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	68.951, 68.951, 173.054
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	145
Space group name H-M	P3₂
Space group name Hall	P3₂
Symmetry operation	#1: x,y,z #2: -y,x-y,z+2/3 #3: -x+y,-x,z+1/3

#1: Protein	Effector EagT6 Mass: 16653.855 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) (bacteria) Strain: ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1 Gene: eagT6, PA0094 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q9I738
#2: Protein	PAAR motif family protein Mass: 6220.067 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Gene: CSB93_1337, DY940_01595 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A2R3IMB8, UniProt: Q9I739*PLUS
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 246 / 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 Å³/Da / Density % sol: 38.59 %
Crystal grow	Temperature: 278 K / Method: vapor diffusion, sitting drop Details: 20 mg/mL EagT6:Tse6(NT) with a 1:1 mixture of 0.2M Magnesium chloride, 0.1M Bis-TRIS pH 5.5, and 25% (w/v) PEG 3350

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Data collection

Diffraction	Mean temperature: 95 K / Serial crystal experiment: N
Diffraction source	Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.5418 Å
Detector	Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Sep 12, 2019
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.5418 Å / Relative weight: 1
Reflection	Resolution: 2.55→28.84 Å / Num. obs: 29267 / % possible obs: 99.2 % / Redundancy: 4.9 % / B_iso Wilson estimate: 55.48 Å² / CC_1/2: 0.996 / R_rim(I) all: 0.183 / Net I/σ(I): 6.89
Reflection shell	Resolution: 2.55→2.66 Å / Redundancy: 4.26 % / Num. unique obs: 2832 / CC_1/2: 0.502 / R_rim(I) all: 1.98 / % possible all: 96.4

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Processing

Software

Name	Version	Classification
PHENIX	1.17.1_3660	refinement
XDS		data reduction
XDS		data scaling
PHENIX		phasing
PHENIX		model building
Coot		model building
REFMAC	7.0.078	refinement

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.56→28.84 Å / SU ML: 0.3853 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 31.9456
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2682	1532	5.25 %
R_work	0.2295	27650	-
obs	0.2316	29182	98.96 %

Solvent computation

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

Displacement parameters

B_iso mean: 71.66 Å²

Refinement step

Cycle: LAST / Resolution: 2.56→28.84 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7827	0	0	248	8075

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0038	8018
X-RAY DIFFRACTION	f_angle_d	0.7243	10918
X-RAY DIFFRACTION	f_chiral_restr	0.0456	1207
X-RAY DIFFRACTION	f_plane_restr	0.0037	1436
X-RAY DIFFRACTION	f_dihedral_angle_d	18.77	2916

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 (%)
2.56-2.65	0.3882	124	0.3507	2394	X-RAY DIFFRACTION	92.85
2.65-2.74	0.3669	98	0.3238	2529	X-RAY DIFFRACTION	99.43
2.74-2.85	0.3096	138	0.2977	2531	X-RAY DIFFRACTION	99.59
2.85-2.98	0.3228	172	0.2883	2486	X-RAY DIFFRACTION	99.48
2.98-3.14	0.338	175	0.2809	2542	X-RAY DIFFRACTION	99.63
3.14-3.33	0.2758	130	0.2366	2519	X-RAY DIFFRACTION	99.77
3.33-3.59	0.2613	168	0.2101	2508	X-RAY DIFFRACTION	99.89
3.59-3.95	0.2377	126	0.2232	2553	X-RAY DIFFRACTION	99.81
3.95-4.52	0.2463	126	0.1996	2530	X-RAY DIFFRACTION	99.44
4.52-5.68	0.2152	140	0.192	2536	X-RAY DIFFRACTION	99.33
5.69-28.84	0.2741	135	0.2179	2522	X-RAY DIFFRACTION	99.51

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	8.36699804917	0.809264521262	-2.59555111591	1.84961438114	-0.869439114286	4.80764474853	-0.119378296868	1.18367227596	-0.567354693775	-0.29503041832	-0.329729515688	0.667396704631	2.45707289349	-0.274760830135	0.315520549894	1.18344539031	-0.0226666752623	0.0526762415514	0.324433445338	0.0153239697627	0.532636360123	-4.55473426701	-50.419446667	19.9034498974
2	8.35890440282	-0.698239902601	-1.2308300912	4.40701197279	0.954857062886	4.4408401788	0.832215634349	1.51803540283	-0.470052971896	0.03242510894	-0.723293219074	-0.285625212129	-0.562705313292	-0.362592185342	-0.126000580341	0.410670412701	0.10646617105	-0.122265768949	0.297933779275	0.0645941299317	0.334531515868	0.73643986675	-40.6342963275	12.7203256084
3	1.13659048956	-1.49466706473	0.437088985455	4.25344983177	0.0412832321334	4.60105480064	-0.347133085329	0.0710148622943	0.206421129078	-0.614548268655	0.315055078742	0.309116074771	0.322043670348	-0.477389855395	-0.117468875706	0.40613126811	-0.0781910920187	-0.0208599695202	0.323515705947	0.0256376277495	0.462128017494	-3.86130420124	-37.6821255637	0.240514641921
4	3.6037761435	1.27566396563	-0.861647386154	7.86363644572	-3.67991030811	4.65666534947	-0.203907267145	0.912630338976	0.229811780257	-1.14802016013	0.434503405961	0.307893015141	0.701950033697	-0.334076609646	-0.300576464807	0.5686351657	-0.199746813516	-0.0161039690345	0.474290475477	0.00900478231948	0.407549264203	0.228740953102	-35.7203502362	-5.67297954092
5	3.15342317957	0.458212553717	-0.0929564806144	4.69924279813	-1.53285040688	5.80058537693	-0.197486041565	0.0585318694232	-0.249613083397	-0.786484270581	0.0989070825971	-0.302944635296	1.09805560399	0.638271581155	0.0845884615865	0.700678278772	-0.00447739902715	0.0626331458701	0.397465327863	-0.0497552201251	0.282223070611	4.26761513954	-42.7216847356	-0.240617831881
6	0.614186707139	-0.630661500651	0.689191895736	3.51670361676	0.369695317322	3.60459452391	-0.0193251727971	-0.136892491847	-0.19603971577	0.591494031192	-0.0512433233523	-0.0632051409809	1.60522004863	0.644985151085	0.163213667297	1.0081232637	0.0973241089843	-0.0271854035788	0.368356189859	0.0605190091677	0.484748629335	6.52095432868	-48.3050334021	10.8599417748
7	0.62270667758	0.152944178766	-0.0706775082059	2.86820352403	-0.0267352473851	4.79614742292	-0.220944781411	-0.885029287762	-0.188540061153	0.437986858793	0.406576449063	-0.192360911545	0.30863133189	0.669656896537	-0.304890583684	0.419406418755	0.146117158687	-0.0986296619164	0.536661662304	-0.0751681089758	0.264531219397	2.11124070835	-37.9078452698	27.7247829716
8	3.91521334359	0.124870481187	-0.842221133909	2.76060728943	2.28964504057	4.84701442424	0.164631531851	-0.684510276404	-0.244749766775	-0.233271811531	-0.631549874258	0.630388779798	0.230458236687	0.000324789529622	-0.280902594338	0.86399179775	0.24836733992	-0.123547686258	0.700835422384	-0.0599856390412	0.245876364816	3.09475222486	-37.8030252026	36.543648898
9	7.75563009062	4.08455577934	-1.14572228978	2.50561458749	-0.503464334352	5.11532257921	1.13596745673	-0.122331556452	2.05212026019	-0.884147914877	-0.611144037706	1.590746407	0.185445941359	0.787554956016	0.352575794941	0.852667591832	0.195744496436	-0.111611580802	0.442214648271	-0.0634385963015	-0.297056555783	0.618062732806	-34.4806086434	31.2479284058
10	3.07156123947	-0.902504121316	0.653102059817	2.66933240758	-0.170834852016	2.83681332243	-0.243597615396	-0.492122112097	-0.308280827956	0.296497704182	0.209308248852	0.0421170686831	0.82928945604	-0.665613119529	0.256645307938	0.720423660782	0.00669993884754	0.023063955688	0.403945740554	-0.0187842505579	0.319619802934	-6.48695818102	-42.3652808233	29.7797513231
11	2.32634417698	2.2593531346	0.456636391218	2.48180315781	0.463451415422	0.185575733592	0.703254373464	-0.317782974397	0.264352735383	0.808288893599	-1.35205845849	-1.11306815525	-0.910854480815	0.322606917345	0.113257082216	0.755186789002	0.0100201427592	-0.111840788047	0.650253700072	0.0818082696281	0.582154862424	4.20921243123	-29.4334098573	24.6231172463
12	0.656939657315	-1.5125054511	0.0378057596856	4.06054339924	-2.03441238944	4.1490487462	-0.123156294253	0.547628202837	0.153296408517	0.133664025531	0.160784923372	0.507831893753	-0.127566647023	-0.0863380984178	-0.213771158871	0.486294866523	-0.0902194259242	0.0382617312613	0.299543418179	-0.0392105107673	0.417897875554	-4.150716104	-30.2602935333	12.0090174985
13	5.07797949638	-2.17398347744	0.894538001293	3.95100861209	0.893303675308	5.96021112817	0.782746858313	-1.13703712591	-0.364784523402	-0.669781955977	0.970233293021	-1.58447807532	0.160260332187	1.20014669822	-0.127492255912	0.504650166098	0.0430162730405	-0.0394680817179	0.691001396057	-0.381639849805	0.858656625265	10.4954192355	-31.8879922335	14.0229293543
14	2.52043494263	-0.998962896704	1.93909378476	0.846299254436	0.0952145541125	3.41592784873	-0.203760017627	0.113452222093	0.0528422531451	0.495027434176	0.328162158483	-0.063992062416	-0.181994013511	0.574313033419	-0.199497461373	0.431629036574	-0.137510857024	0.0140292453962	0.357846180794	-0.0790346379608	0.421787905387	0.746803375609	-26.1395625607	11.4504169045
15	4.08135390927	-0.0683236143136	1.06093604044	2.75102243623	-0.919156852297	3.79715669402	0.272421649013	0.605853837155	0.0776901031071	0.0407523475006	-0.442875109353	0.0268078573047	-0.36177740268	0.516323402124	0.0449781364284	0.583297904846	-0.0750924754759	0.0807817761554	0.315035891223	-0.0437607895408	0.41206455704	4.55978294804	3.59382610952	0.420832739041
16	1.20556618691	1.84328383017	1.08195227639	5.26599800401	-2.2585548709	6.49241174142	0.640189976132	0.0091746756059	-0.40469577515	0.7651850486	-0.264844737244	-0.601473182563	-0.538773250715	0.022635372187	-0.0401933572058	0.274842462357	0.0227399962868	0.0522061546041	0.214737929294	-0.0380597101468	0.383782478178	1.91202405408	-0.747150497219	-12.1475496577
17	8.09802105854	1.21615001919	0.0227564990455	8.30043411219	0.336256973507	9.08213214327	0.495213318653	1.18176830448	-0.673775334159	-0.122668717636	-0.385732549189	0.375609657689	1.74291519487	0.548100049033	0.177658090146	0.623452888476	0.198848883567	-0.0231697412633	0.513832869579	-0.145679345839	0.66423386441	3.59761677392	-9.10380950065	-20.8546463245
18	4.33817540696	1.13026305677	-0.00771318578344	3.85960882837	-1.05034644366	8.46499590037	0.199382759952	0.473465529406	0.0244325823832	-0.0417857290036	0.030240175015	0.181304364565	-0.608870330079	-0.509963135753	-0.125797955934	0.381539352689	0.0192767918712	-0.00296494410303	0.438520009757	0.00203753324521	0.365277284304	-2.03344124452	2.70480715088	-17.2392063637
19	3.66406576606	-2.44047923744	-0.961554301735	4.05497800491	-0.748661465656	1.84425414643	1.15273416545	-0.761150400303	-0.0371757351624	1.38689606293	0.432909193604	0.38623062796	-1.7653401484	0.124454446437	0.544859810307	0.309703200777	-1.1944729854	0.182346426834	-1.29071915179	-0.248195749983	0.526637435603	4.25297286599	12.2149370835	-4.47408009781
20	3.06749782558	-0.266905561194	-1.42822518525	2.61799745987	-1.27528433738	3.96841510106	0.103936024471	-0.280341192953	0.0336832152246	-0.304386934059	0.0625517150858	-0.134379197609	0.0268386509316	0.0842928725093	-0.295969419586	0.379386156245	-0.00335402402836	0.0364107645696	0.211185918254	-0.0586323412742	0.317869872792	2.05767312134	-2.18845339735	5.98721713383
21	1.83216333537	0.0271429350139	-1.40632566461	3.57290111109	0.637817184781	2.9700685424	-0.0565528247256	0.0287149374384	-0.0737491543944	0.0746639064494	0.0473806048107	0.261708207738	0.0595844808942	-0.0374985115746	-0.00150506918096	0.308808535142	-0.0404501233331	-0.0727540204801	0.246006079761	-0.00548810937338	0.313354992709	-0.990900413755	-2.08885267449	18.2975906255
22	6.31336629592	0.466921724157	-3.31046877957	6.72268667339	-0.637576007303	4.86728427648	0.103754148481	0.22816858942	0.538555852986	0.359674789456	-0.0911972784694	-1.06064696167	-0.0346299113255	0.908432825256	0.139860599918	0.654407963289	-0.318584903375	-0.100675508573	0.476744758581	0.0266202610468	0.458081488796	11.2871148864	7.47376086218	11.9857578756
23	4.11891737689	0.172597955888	0.681873026668	1.89410802119	1.83759438039	6.01628178534	-0.373062785531	0.743076075297	0.0694199025287	-0.0919425473466	-0.854124868117	0.60021892393	1.06887748107	-1.41664037076	-0.0564997358696	0.870546300529	-0.149879380006	-0.177750333976	0.29969354663	0.0692194990464	0.59866433874	-3.48915569958	-9.89432780019	5.80246424241
24	2.07829083317	1.03394321488	-2.13186608536	2.76287193002	1.37713161153	5.4837011202	-0.0370069028772	-0.526601728244	-0.872601410858	-0.102423041428	0.11544390207	-0.301832077474	1.24251136172	0.154521731201	-0.371147381145	0.572518476679	0.0127593809785	0.00270793560077	0.328602787075	0.0566583598525	0.514673139731	-4.40454314311	-6.2619970919	-8.83222552992
25	6.1170166065	4.00886993023	1.27604561212	7.10403972385	4.64611420845	3.63212694082	0.667015485204	0.245248467456	-0.315554305378	-0.41949785283	-0.106971185905	0.830883019233	-1.60976312877	-1.28386673831	0.0119013454568	0.552136206102	0.00794572975849	-0.0107454504318	0.821308315331	0.033803746138	0.687167076974	-12.8946855026	-0.823430053861	1.16692592714
26	5.14925205475	1.95605809648	-0.610771125265	3.57276190664	-0.256570117787	1.81715804127	-0.553140673016	-0.855735861098	-0.0260593405775	0.247963079009	-1.12685631993	1.00905096907	0.0617715341343	0.553701614835	0.841425145974	0.511361527938	-0.14722799687	-0.0491838992225	0.406604493895	0.0348245853191	0.630747596502	-7.91203054316	-9.96668502194	-3.27184762967
27	3.09151560918	-1.38746104541	0.218115746007	1.80794063103	-0.185194952781	3.54785112058	-0.5266056677	-0.744902735067	-0.000216346068929	1.25162400399	0.135455254235	0.322063985027	-0.510776248161	-0.777100752209	0.360962305911	0.771361648893	0.202568884177	0.0310674089385	0.390078504846	-0.046285359387	0.417192437313	25.2719970589	-19.6485831828	30.6615941236
28	0.863951793733	1.44273258342	-0.554085745715	3.22193221486	-1.04492063448	0.376849787533	-0.574778219094	-0.0808464577913	1.80121334933	0.127333539569	-0.72579712622	-0.76583320679	-0.20491495914	0.210985823802	-0.400880158952	0.875160527499	-0.148309034929	-0.228727895327	0.617392382704	-0.105078830612	1.71511478038	45.4549941843	-4.45110992151	42.5304483953
29	2.98268032274	1.35944859773	0.802091774865	2.84366762046	1.26472326165	7.56414531892	0.530050845469	-0.527032813411	-0.435058219422	0.291139003823	-0.279744954379	-0.203939878422	1.25617016358	0.190348584144	-0.0289098518182	0.676793071336	0.0792120150721	-0.055160734597	0.458014236282	-0.0178949062372	0.466787813079	35.5674105136	-27.0965112693	50.18231664
30	5.87843873613	-0.719923889114	-0.428814019522	4.52003845346	-0.641851538604	6.69861680845	0.404667083887	-0.226103194254	0.629911442394	0.325562628593	-0.382612135394	0.168685242767	-0.331031376992	0.0171129297769	-0.00255390907692	0.451499857966	0.0286316040454	-0.0144573741555	0.470389184774	-0.065337514572	0.383067794858	36.3652165491	-17.3244931647	50.2815453217
31	3.78258487968	1.03726343178	0.0716284232709	4.97371401455	0.992158472719	5.18654330661	-0.121343164256	-0.587577671219	1.09776338593	1.33719106645	0.178333295978	1.13528442832	-1.88757275736	-1.049547273	0.257100293379	0.436634481918	0.663237600335	0.154617764298	-0.325539973332	-0.450734961548	0.645483267425	28.0199191937	-9.85437934868	46.6700206483
32	0.892586651027	-0.307660802107	1.09363045443	2.03489435782	0.721281636179	1.98827702923	-0.342577826001	0.76275784106	0.44625095496	-0.844248657697	-0.194260084767	0.213821654801	-1.88452810754	-0.17433143687	0.401565257062	1.3035322722	0.171624506467	-0.13705158835	0.528368570766	-0.0385734145377	0.680309356697	28.459294273	-8.79459383546	37.2765872767
33	3.62150181535	-1.17927788913	-0.478383106839	3.21283773477	-0.795397716204	4.06373791562	-0.0390926312241	-0.0967981949475	0.0283423092694	0.39179702673	0.219849775145	-0.0104658789047	0.327128982853	0.352596332883	-0.281452747977	0.558521119702	0.178392030323	-0.00380349132379	0.371618979795	0.0265710067052	0.317888984688	32.7305613419	-21.3476481267	23.4997084056
34	5.16143861257	-1.54840393905	-0.630779726854	3.7358111779	0.747782603901	2.41803765842	0.363630528313	0.633333547941	0.492881500324	-0.427404609656	-0.378515910013	-0.350995816396	-0.430442825807	0.14923867611	-0.0306223599766	0.655971718888	-0.0457775962824	-0.00501142326053	0.411521163863	0.0187391385237	0.437743256674	37.5083680804	-18.7835633906	12.0796486881
35	0.752873466309	0.391594615944	0.241666779356	0.306199317982	0.00720970031355	0.219010718698	0.0678827032129	0.0109175703818	-1.18167788398	0.124830378604	0.164550796089	-0.391151918233	0.529837968207	-0.593520747967	-0.174262018743	0.992731986448	0.115205441351	-0.105631639157	0.472581036048	-0.052863852149	0.830080270588	41.284080127	-33.8606104585	18.0377478118
36	3.36635218004	-1.03403817827	-0.584043177365	5.6341710545	0.134405935511	2.33617759227	-0.197317514589	-0.136253294621	-0.207405503677	0.23679716344	0.0902991565154	0.736896290765	-0.283671570374	-0.250132140114	0.112360976714	0.692746071103	0.147142392899	-0.0534847172242	0.277865194866	-0.0143916973679	0.407603819989	27.597328962	-20.1705209401	19.093738919
37	2.04609036985	4.52653561856	-3.24627351341	2.61575714065	-0.256450952599	4.97685376221	-0.978662425167	0.290931399398	-2.30703030678	-0.433662885409	0.585952270273	-2.59972414282	1.55221494918	1.13538679124	0.289809639795	1.12734706413	-0.0553705823875	-0.140830936485	0.847175847719	-0.247071885572	0.777684569939	40.1784959613	-26.1183662818	24.8254542646
38	2.27442408179	-0.26038217164	1.16020701308	2.11891306373	2.1381606533	3.04508017352	0.544470959149	0.283042691512	-0.903520118733	0.88113959861	0.577904753317	0.332741713174	0.418249552023	2.00688042363	-0.833025901826	1.41399286482	-0.135256552358	-0.264821789677	0.586812920123	-0.161758689009	0.671161918484	38.5021373395	-30.8156086352	39.0230948912
39	3.482025251	-1.42797077243	1.45856270684	3.59521140404	0.812178424973	7.30817855635	0.0736494138905	0.291620827522	-0.75547495613	-0.0330976230106	0.359038492926	-0.883087878636	-0.3594706147	0.0644167729953	-0.373722778795	0.676048270879	-0.119360570438	0.0632237530143	0.543828179831	-0.0365561588008	0.413945562857	43.1422098572	-19.9639725805	40.3516467124
40	1.7577755706	0.628308635755	-1.63999323898	4.35608571204	1.86801628296	2.98923620687	-0.381454545288	-0.102199843647	-0.544852717025	0.472234374004	-0.225169370914	-0.0632601486832	0.206919043083	-0.612451914234	0.44293677436	2.60719589187	0.952057833681	0.0647406063161	1.47170991496	-0.173914900367	0.841865424083	45.5241547421	-24.8266216587	34.9847263506

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(chain A and resid 2:14)
2	X-RAY DIFFRACTION	2	(chain A and resid 15:30)
3	X-RAY DIFFRACTION	3	(chain A and resid 31:62)
4	X-RAY DIFFRACTION	4	(chain A and resid 63:95)
5	X-RAY DIFFRACTION	5	(chain A and resid 96:141)
6	X-RAY DIFFRACTION	6	(chain B and resid 2:22)
7	X-RAY DIFFRACTION	7	(chain B and resid 23:61)
8	X-RAY DIFFRACTION	8	(chain B and resid 62:84)
9	X-RAY DIFFRACTION	9	(chain B and resid 85:110)
10	X-RAY DIFFRACTION	10	(chain B and resid 111:141)
11	X-RAY DIFFRACTION	11	(chain C and resid 1:8)
12	X-RAY DIFFRACTION	12	(chain C and resid 9:35)
13	X-RAY DIFFRACTION	13	(chain C and resid 36:46)
14	X-RAY DIFFRACTION	14	(chain C and resid 47:59)
15	X-RAY DIFFRACTION	15	(chain D and resid 2:32)
16	X-RAY DIFFRACTION	16	(chain D and resid 33:51)
17	X-RAY DIFFRACTION	17	(chain D and resid 52:63)
18	X-RAY DIFFRACTION	18	(chain D and resid 64:141)
19	X-RAY DIFFRACTION	19	(chain E and resid 2:15)
20	X-RAY DIFFRACTION	20	(chain E and resid 16:46)
21	X-RAY DIFFRACTION	21	(chain E and resid 47:131)
22	X-RAY DIFFRACTION	22	(chain E and resid 132:141)
23	X-RAY DIFFRACTION	23	(chain F and resid 1:20)
24	X-RAY DIFFRACTION	24	(chain F and resid 21:37)
25	X-RAY DIFFRACTION	25	(chain F and resid 38:47)
26	X-RAY DIFFRACTION	26	(chain F and resid 48:57)
27	X-RAY DIFFRACTION	27	(chain G and resid 2:26)
28	X-RAY DIFFRACTION	28	(chain G and resid 27:37)
29	X-RAY DIFFRACTION	29	(chain G and resid 38:72)
30	X-RAY DIFFRACTION	30	(chain G and resid 73:125)
31	X-RAY DIFFRACTION	31	(chain G and resid 126:142)
32	X-RAY DIFFRACTION	32	(chain H and resid 2:19)
33	X-RAY DIFFRACTION	33	(chain H and resid 20:52)
34	X-RAY DIFFRACTION	34	(chain H and resid 53:91)
35	X-RAY DIFFRACTION	35	(chain H and resid 92:100)
36	X-RAY DIFFRACTION	36	(chain H and resid 101:143)
37	X-RAY DIFFRACTION	37	(chain I and resid 2:15)
38	X-RAY DIFFRACTION	38	(chain I and resid 16:25)
39	X-RAY DIFFRACTION	39	(chain I and resid 26:47)
40	X-RAY DIFFRACTION	40	(chain I and resid 48:56)

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