PDB-9bkq: Structure of penguinpox cGAMP PDE in apo and post reaction states

ID or keywords:

Entry

Database: PDB / ID: 9bkq

Title

Structure of penguinpox cGAMP PDE in apo and post reaction states

Components

Penguinpox cGAMP PDE

Keywords

VIRAL PROTEIN / Immune evasion / phosphodiesterase / poxvirus

Function / homology

Cyclic phosphodiesterase / : / GUANINE / Uncharacterized protein

Function and homology information

Biological species

Penguinpox virus

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.1 Å

Authors

Hobbs, S.J. / Nomburg, J. / Doudna, J.A. / Kranzusch, P.J.

Funding support

United States, 1items

Citation

Journal: Cell / Year: 2024
Title: Animal and bacterial viruses share conserved mechanisms of immune evasion.
Authors: Hobbs, S.J. / Nomburg, J. / Doudna, J.A. / Kranzusch, P.J.

History

Deposition	Apr 29, 2024	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 4, 2024	Provider: repository / Type: Initial release
Revision 1.1	Sep 11, 2024	Group: Database references / Category: citation Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2	Oct 16, 2024	Group: Database references / Structure summary / Category: citation / pdbx_entry_details Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9bkq.cif.gz	396.1 KB	Display	PDBx/mmCIF format
PDB format	pdb9bkq.ent.gz		Display	PDB format
PDBx/mmJSON format	9bkq.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	9bkq_validation.pdf.gz	1.6 MB	Display	wwPDB validaton report
Full document	9bkq_full_validation.pdf.gz	1.7 MB	Display
Data in XML	9bkq_validation.xml.gz	46.8 KB	Display
Data in CIF	9bkq_validation.cif.gz	62.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/bk/9bkq ftp://data.pdbj.org/pub/pdb/validation_reports/bk/9bkq	HTTPS FTP

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Related structure data

Related structure data	9ciwC C: citing same article (ref.)
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#130 - Oct 2010 Riboswitches similarity (1) #145 - Jan 2012 Messenger RNA Capping similarity (1)

Deposited unit

A: Penguinpox cGAMP PDE

B: Penguinpox cGAMP PDE

C: Penguinpox cGAMP PDE

D: Penguinpox cGAMP PDE

hetero molecules

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

1

A: Penguinpox cGAMP PDE

hetero molecules

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

2

B: Penguinpox cGAMP PDE

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

3

C: Penguinpox cGAMP PDE

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

4

D: Penguinpox cGAMP PDE

hetero molecules

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

Unit cell

Length a, b, c (Å)	64.848, 66.799, 196.911
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁
Space group name Hall	P2ac2ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x,y+1/2,-z+1/2 #4: -x+1/2,-y,z+1/2

#1: Protein	Penguinpox cGAMP PDE Mass: 22933.277 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Penguinpox virus / Gene: pepv_029 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A068EGP0
#2: Chemical	ChemComp-A1AQN / 9-{3-O-[(S)-thiophosphono]-alpha-L-lyxofuranosyl}-9H-purin-6-amine Mass: 363.287 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₁₀H₁₄N₅O₆PS / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-GUN / GUANINE Mass: 151.126 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Formula: C₅H₅N₅O / Feature type: SUBJECT OF INVESTIGATION
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 675 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y
Has protein modification	N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.33 Å³/Da / Density % sol: 47.29 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / Details: 200 mM sodium formate 24% (w/v) PEG 3350

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Data collection

Diffraction	Mean temperature: 80 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: VMXi / Wavelength: 0.9763 Å
Detector	Type: DECTRIS EIGER2 X 4M / Detector: PIXEL / Date: Mar 10, 2024
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9763 Å / Relative weight: 1
Reflection	Resolution: 2.1→98.53 Å / Num. obs: 51047 / % possible obs: 99.96 % / Redundancy: 13.25 % / B_iso Wilson estimate: 30.01 Å² / R_pim(I) all: 0.075 / Net I/σ(I): 8.886
Reflection shell	Resolution: 2.1→2.14 Å / Num. unique obs: 2492 / R_pim(I) all: 0.849

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Processing

Software

Name	Version	Classification
PHENIX	1.20.1_4487	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.1→63.26 Å / SU ML: 0.2036 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 22.0243
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2172	2497	4.89 %
R_work	0.1903	48550	-
obs	0.1916	51047	99.96 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 36.84 Å²

Refinement step

Cycle: LAST / Resolution: 2.1→63.26 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6408	0	68	675	7151

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0149	6606
X-RAY DIFFRACTION	f_angle_d	1.1398	8961
X-RAY DIFFRACTION	f_chiral_restr	0.103	1015
X-RAY DIFFRACTION	f_plane_restr	0.0058	1144
X-RAY DIFFRACTION	f_dihedral_angle_d	6.6229	876

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 (%)
2.1-2.14	0.294	131	0.2493	2615	X-RAY DIFFRACTION	99.67
2.14-2.18	0.2776	136	0.25	2679	X-RAY DIFFRACTION	100
2.18-2.23	0.2922	120	0.2417	2689	X-RAY DIFFRACTION	100
2.23-2.28	0.2684	130	0.2365	2641	X-RAY DIFFRACTION	100
2.28-2.34	0.2778	138	0.2309	2669	X-RAY DIFFRACTION	100
2.34-2.4	0.2436	170	0.231	2653	X-RAY DIFFRACTION	100
2.4-2.47	0.2784	138	0.2177	2655	X-RAY DIFFRACTION	100
2.47-2.55	0.2584	120	0.2139	2674	X-RAY DIFFRACTION	99.96
2.55-2.64	0.2169	113	0.2208	2696	X-RAY DIFFRACTION	100
2.64-2.75	0.267	139	0.2207	2683	X-RAY DIFFRACTION	99.93
2.75-2.87	0.2356	126	0.2264	2692	X-RAY DIFFRACTION	100
2.87-3.02	0.2579	153	0.2078	2698	X-RAY DIFFRACTION	100
3.02-3.21	0.2212	134	0.1889	2698	X-RAY DIFFRACTION	100
3.21-3.46	0.2066	176	0.1834	2668	X-RAY DIFFRACTION	100
3.46-3.81	0.2151	133	0.1679	2718	X-RAY DIFFRACTION	99.93
3.81-4.36	0.1786	140	0.1506	2739	X-RAY DIFFRACTION	100
4.36-5.49	0.1632	160	0.152	2768	X-RAY DIFFRACTION	100
5.5-63.26	0.1822	140	0.1687	2915	X-RAY DIFFRACTION	99.8

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	5.25558380418	5.19934793398	0.390829390094	5.17595711658	0.155940702056	4.25147394175	0.545138000952	-0.60738045524	-0.0809752960598	0.841497120353	-0.242900237177	-0.0253864799845	-0.406195767463	0.144561233407	-0.243839247457	0.424349456301	0.0324787646353	0.0529348293346	0.287089149461	0.00549833228205	0.259445387109	-8.97167965868	32.2381060743	22.1157407995
2	1.6432292852	0.961104340339	0.213310248457	0.584925963401	0.118202522501	4.37157974111	0.0900063777932	0.0789564546714	-0.0711851010842	-0.421309938994	0.234862470002	-0.0609021155757	0.884579295853	-0.548888947898	-0.321755524863	0.286420056761	-0.0535422004799	-0.0479140398798	0.240676100903	0.0116639729311	0.22227215187	-9.96575685095	4.32923521229	23.2015861892
3	0.977907507006	-0.400754539169	0.573748406625	4.72886699052	-2.36850610966	4.05496305412	0.0540319447645	-0.168267472752	-0.183132465435	0.194120717884	0.381255465366	0.517495815701	-0.075735373995	-0.734832062415	-0.461777640794	0.190909280865	-0.0226439275715	-0.000208124305597	0.362872889182	0.0934995716425	0.302157648321	-17.0997370622	11.5695521653	30.9407805126
4	3.89211778289	-3.07472158943	0.587472651443	5.55206129956	-0.493950374127	2.37951360367	0.101280750849	0.235766776311	-0.220217618383	-0.924543544957	0.12589724332	0.423841719366	0.138520831218	-0.603367655956	-0.224190832503	0.308987983446	-0.146400555218	-0.0103866761274	0.310314373827	0.0204954545648	0.212414380203	-11.7329521733	10.9032039075	7.55842057828
5	2.05744109518	-0.737538294501	-0.320762107613	1.8812144652	-0.871007957806	4.65635940104	0.0021409770587	0.0969411062169	-0.0424941926298	-0.0938060580774	0.0526812120104	-0.200591323549	0.380894192113	0.254497149337	-0.0481762786217	0.146379010563	-0.0547902054308	-0.0145346639715	0.105858834328	-0.0297863047472	0.215342454791	-2.43431528871	10.4338784182	19.4074962812
6	0.959001764686	-1.85530471338	0.162498094752	3.06691691946	-0.244894536476	-0.038388704854	-0.222985728756	0.111250632331	0.26617419213	0.285228131153	0.294112915419	-0.488692993345	-0.466526000705	0.129656691148	-0.103147402634	0.291258234212	-0.0436926245754	-0.0201097552134	0.268073506008	0.00120879216009	0.312825973433	-1.81944595881	21.2489454455	16.8376416955
7	1.79135722311	-1.32179149237	-0.465863151505	4.56877378866	-0.2684962121	8.46754126667	0.105843389547	-0.213694551324	-0.0312971372781	0.329350834159	0.00441395655068	-0.183866170897	-0.186488255582	0.181626470871	-0.129725849219	0.229401312967	-0.0848272819174	-0.0431185345714	0.196680723901	0.0554016617269	0.259776644268	-4.04355634012	8.52093209365	36.858424403
8	7.2272387284	-3.88385712247	6.84110108523	3.23823504192	-3.8383533647	8.21297024875	0.178178655613	0.0336789028978	-0.5131908224	-0.403322194625	0.172937396901	-0.0459074380125	0.281633660275	0.258817540595	-0.408212754105	0.309905016878	-0.0478337345128	-0.0374769474403	0.228921678088	-0.0579899370083	0.37123098705	-3.2657369555	-0.0470884559076	18.2842290958
9	3.81012661136	-0.667206125432	2.91885540191	6.30615295992	0.0974100361608	6.65091586976	0.118035852287	1.19808501844	0.592932212341	-0.791965099861	0.286149443743	-0.0715568773389	-0.454393310769	0.400433309509	-0.35818015408	0.397484076689	0.0169656772714	0.135720246115	0.553762657094	0.139615907253	0.291786159512	41.164580246	18.8175712829	46.0005422798
10	1.56904044788	0.00720017633407	1.24709796529	2.88876357615	-0.150826506244	3.13758722039	0.355701235926	-0.177027185132	-0.343589051541	-0.349795290185	0.00140204075141	0.305022286693	0.272224265334	0.0445622048056	-0.0423871762509	0.322036435722	-0.0229571495925	-0.049181603236	0.238718990132	-0.0890648619529	0.16935888056	8.83548582444	16.331402386	45.9410703316
11	5.28104944384	0.468447219195	0.177722744417	2.00970000508	-0.350293504399	5.26926853806	-0.588151734821	0.486037263132	-0.395411535202	-0.471629408487	0.255065690656	-0.158119644977	0.455474972282	0.129729265321	0.184210702329	0.385565701653	-0.0716758993496	-0.00498732224606	0.315161622948	-0.0360855029885	0.327302363407	8.74571957614	17.9583582584	32.0057576181
12	3.54652329608	-2.10482951484	0.076028451973	4.93501688676	-0.395589758017	6.59640535677	0.185601057875	0.378333098522	-0.79214729081	-0.382015198534	-0.082979137312	0.139041010657	0.729294044597	-0.140707792433	-0.145378470929	0.269007351425	-0.0335500486348	-0.0536789985914	0.234150746009	-0.0860250108399	0.306392539628	17.917584676	5.86566192945	54.3467072349
13	1.89108160338	0.581985699563	-0.0584197814402	3.44541429959	-1.01403178262	5.74098352954	-0.190109848773	0.0983196159535	-0.0749843595177	-0.150430295223	-0.075425351667	-0.251302091871	-0.469479925103	0.404616487141	0.292521713895	0.0691159815245	-0.011873379385	-0.0307751146506	0.218905527817	-0.0202047596893	0.244974580878	12.2263805419	22.3639847665	46.853623153
14	7.38971574148	-0.358303990113	0.463479318026	0.095484182608	-0.206611191384	0.106884335207	-0.0646424802467	0.418536419088	0.467550071959	0.0229039331041	0.043880855377	-0.0303816452757	-0.0695624887437	-0.0295742472763	0.0210739893981	0.27158221725	0.00332974531365	-0.00884711471807	0.233545200551	0.00142986102755	0.211690401384	23.3547326389	18.1512494238	56.8707269894
15	3.16783975837	1.07360604445	-0.140394180079	3.23906920861	-1.11028290849	2.35405127596	-0.472883611986	0.315726869276	0.375222407585	-0.763329218179	0.310358419371	0.139290066058	-0.844532463883	-0.19694629101	0.128149929824	0.581686957499	-0.0537432557034	-0.138018085596	0.217893687821	0.00116462477819	0.319732155539	6.05886820554	30.5132824287	38.3284122314
16	4.00846519389	0.523945324625	0.018572661485	8.60282786198	-3.71277944107	3.28704993332	0.0116236310087	-0.138633177975	-0.486330231542	-0.113748642121	0.0280362545477	1.29727264967	0.0734818622759	-0.439094904511	0.0461179099201	0.195158653031	-0.0210286969946	-0.0942936133746	0.269231247838	-0.10111343686	0.26762819638	5.1736725373	17.5709997458	54.221878061
17	5.18213800674	1.93376369971	-2.8913869768	5.69619091874	-3.1851343966	5.62722037924	0.374226443502	-1.16378267071	0.214531616282	1.14591352272	-0.360383066753	-0.658193657542	-0.951721819289	0.709608147961	-0.0534103492097	0.6156553057	0.0145301236937	-0.167590390292	0.573242612826	-0.0909076518863	0.322100659686	33.9755476841	24.8343908351	2.58409672149
18	4.11414238421	-2.18126161527	1.64138174397	2.65576992941	-2.05170432145	3.39882936718	0.0615368525047	-0.300077635054	-0.148815379128	-0.193154060346	0.217094399392	0.157041959895	0.257950597413	-0.406771708589	-0.273588712447	0.200020363027	-0.0765220554239	0.0271532934183	0.278434147107	0.0321273245016	0.152580789868	30.5827451572	-7.14344609147	3.35855767278
19	4.89528951236	1.81485858693	-0.178094668293	3.50314351685	-1.16543090031	7.86734843543	0.485058953701	-0.475756494274	0.303032727944	0.365812820139	-0.437348270244	0.160961013906	0.231771725969	-0.437960184035	-0.0777986460599	0.303378907407	-0.136396173213	-0.00255849430874	0.300472474457	0.0119875357134	0.208121902429	35.6184536069	-9.29164211085	20.5457624674
20	4.60728082683	2.38160466625	2.89466766032	3.91580022206	3.68798313701	3.7214492067	0.411610098055	-0.620535918766	0.681986568076	-0.153344862676	-0.482005346971	0.644591309934	-0.337745371196	-0.840527348069	0.210770185178	0.383312132478	-0.00517945209439	0.0605320408532	0.410441274754	0.009854515088	0.450127607841	29.6202555621	-4.66817620531	14.2688971663
21	4.29686912772	-1.78964333825	0.23847402442	5.0040510042	-0.490042400447	0.626221640482	-0.266555614414	-0.42897307057	-0.251037193401	0.0846256566027	0.56511271608	0.896999337954	0.276907542013	-0.749574112842	-0.218914363671	0.232697885596	-0.065447642128	0.0166613468185	0.397276462486	0.0969275034729	0.278058826909	20.2222956305	2.14765678739	-5.07815493831
22	2.94742054883	0.0644394605344	1.53022365673	3.29591759533	0.113001726519	5.45737346825	0.0488090757964	-0.158941016878	0.289921264889	0.049065720291	-0.198351545452	0.150141187426	-0.187582773534	0.0439919081288	0.118599707946	0.173722822688	-0.0449160537375	0.0266493445644	0.115061699198	0.0204860373997	0.21933819776	36.4742903749	-3.95127937683	2.04909115158
23	0.0141861043692	-0.602291887247	-0.0723371748988	5.42222964401	-0.0692272189289	0.0646666620392	0.0963758974159	0.0217708223943	-0.0192096051522	0.274566264808	0.0246092214832	-0.425222047252	0.107763378275	-0.0107035526177	-0.0963145431798	0.245635466308	-0.0150764131807	-0.028934549543	0.258685030998	0.0432895915207	0.227873827403	32.5341164831	7.01115609834	-8.07470828298
24	6.37472371005	-1.17691455054	1.88339283126	5.55044419856	0.745264286068	7.48696270962	0.0872299817463	-0.529551059634	0.150513468409	0.490576889725	-0.187490945156	-0.369503798942	-0.134531485455	0.654977498744	0.119135673149	0.25499061469	-0.0675663936184	0.00744544817373	0.235193982051	0.0774695754386	0.193072648872	44.7071150761	-10.1030502213	10.5190775245
25	6.64686174885	-1.47269113924	2.74884867077	4.66320421244	-1.85459325825	1.82438002701	-0.187333885933	-0.817928303294	-0.830231530364	-0.0159770110291	0.337385719988	0.507137184751	0.463592227197	-0.0142582715994	-0.0706851918931	0.369252358821	-0.0141966099534	0.0618309356702	0.263872308702	0.0868218038959	0.200117186357	31.6261552878	-10.7176759456	-4.99915195138
26	5.89381552031	4.94115236841	-0.920248627389	4.05070447893	-0.967894238245	3.83451479312	-0.151597922849	0.759640253968	-0.0749783311612	-0.407675788535	0.359850352016	0.208336220879	-0.263598968897	0.221879577469	-0.213025248912	0.285041315784	0.0373839451227	-0.019211371438	0.332408595871	-0.0112104753804	0.23491852683	47.8139201626	-23.0188425967	27.1558753334
27	1.0527877795	0.0437921518687	0.937101633751	1.80902669908	0.449953046113	3.37534005747	0.0822414806822	-0.00652658560813	-0.126406887582	-0.0969647593647	0.0183202109378	0.0107686304855	0.398056120967	-0.00929124553143	-0.112983155976	0.257262246105	-0.0455723802852	-0.0261736326038	0.175602368739	0.0151108129882	0.275226852653	24.1724977699	-30.2118071859	22.2269258382
28	2.7141412732	0.0894337894343	0.379448273561	1.59842966151	-0.23477371436	4.63521796491	0.0365636547887	-0.513765511291	-0.151117019299	0.156634874542	0.0355518038647	0.124823992953	0.0746985320815	-0.482804584651	-0.0906394415625	0.204454974536	-0.0487564821576	0.0213869908658	0.236668781978	-0.0180145634265	0.207479657938	22.339580658	-22.4251131229	38.6553305314
29	5.63899280823	-3.36562353467	-1.87596615764	9.73564914047	2.98750441498	6.30395780523	0.0657514322041	0.230105365619	-0.312083116937	-0.453753153553	-0.278794237413	-0.437142043296	-0.0976939365902	0.505630876	0.181753028824	0.245585236775	0.00566055119352	-0.0132834217166	0.284632974959	0.0525486851004	0.172661342939	36.8735531987	-26.5776440171	18.438072635
30	0.705070825411	-0.286670509708	0.0711709106984	1.56330429683	2.17716459971	8.41547711231	-0.0838508089841	-0.221514508272	0.182828320415	-0.0597936714062	0.0511491686937	0.106754217302	-0.458362561629	0.0280066223411	0.0450931727634	0.148617975746	-0.0522197760643	0.0141872360628	0.177018219361	-0.0168116432281	0.228768446444	25.2969238134	-15.7571821002	34.0016199308
31	3.0431852514	-1.38097024573	0.0894730825182	0.492572010969	-0.0043747096848	-0.05767452673	-0.010402019233	0.162583371166	0.455016447779	-0.058665767316	-0.139523575964	0.146162316193	0.127365317764	-0.220088265129	0.144896082807	0.278506987118	-0.0591390799411	-0.0145189101615	0.324291408446	-0.0222630703849	0.288849236838	36.2428804524	-17.1647116825	32.8221448062
32	2.73817199852	0.638802406997	-1.16372316178	1.47914970585	0.0395232521933	8.33803305494	-0.0437451909313	0.108474193204	-0.00918916993879	-0.278462974719	0.131276634742	0.192808913223	0.0936987254798	-0.241292755852	-0.103004159711	0.219465193513	-0.0398792084916	-0.0313711304572	0.100971024396	0.0334697599882	0.238446279229	20.4623493992	-19.8864817869	19.1639709779

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 1 through 19 )	A	A	1 - 19	1 - 19
2	2	chain 'A' and (resid 20 through 39 )	A	A	20 - 39	20 - 39
3	3	chain 'A' and (resid 40 through 71 )	A	A	40 - 71	40 - 71
4	4	chain 'A' and (resid 72 through 92 )	A	A	72 - 92	72 - 92
5	5	chain 'A' and (resid 93 through 147 )	A	A	93 - 147	93 - 147
6	6	chain 'A' and (resid 148 through 166 )	A	A	148 - 166	148 - 166
7	7	chain 'A' and (resid 167 through 191 )	A	A	167 - 191	167 - 191
8	8	chain 'A' and (resid 192 through 203 )	A	A	192 - 203	192 - 203
9	9	chain 'B' and (resid 3 through 18 )	B	D	3 - 18	1 - 16
10	10	chain 'B' and (resid 19 through 39 )	B	D	19 - 39	17 - 37
11	11	chain 'B' and (resid 40 through 71 )	B	D	40 - 71	38 - 69
12	12	chain 'B' and (resid 72 through 92 )	B	D	72 - 92	70 - 90
13	13	chain 'B' and (resid 93 through 134 )	B	D	93 - 134	91 - 132
14	14	chain 'B' and (resid 135 through 166 )	B	D	135 - 166	133 - 164
15	15	chain 'B' and (resid 167 through 191 )	B	D	167 - 191	165 - 189
16	16	chain 'B' and (resid 192 through 203 )	B	D	192 - 203	190 - 201
17	17	chain 'C' and (resid 3 through 18 )	C	E	3 - 18	1 - 16
18	18	chain 'C' and (resid 19 through 39 )	C	E	19 - 39	17 - 37
19	19	chain 'C' and (resid 40 through 54 )	C	E	40 - 54	38 - 52
20	20	chain 'C' and (resid 55 through 71 )	C	E	55 - 71	53 - 69
21	21	chain 'C' and (resid 72 through 92 )	C	E	72 - 92	70 - 90
22	22	chain 'C' and (resid 93 through 134 )	C	E	93 - 134	91 - 132
23	23	chain 'C' and (resid 135 through 166 )	C	E	135 - 166	133 - 164
24	24	chain 'C' and (resid 167 through 191 )	C	E	167 - 191	165 - 189
25	25	chain 'C' and (resid 192 through 203 )	C	E	192 - 203	190 - 201
26	26	chain 'D' and (resid 1 through 18 )	D	F	1 - 18	1 - 18
27	27	chain 'D' and (resid 19 through 71 )	D	F	19 - 71	19 - 71
28	28	chain 'D' and (resid 72 through 110 )	D	F	72 - 110	72 - 110
29	29	chain 'D' and (resid 111 through 123 )	D	F	111 - 123	111 - 123
30	30	chain 'D' and (resid 124 through 147 )	D	F	124 - 147	124 - 147
31	31	chain 'D' and (resid 148 through 166 )	D	F	148 - 166	148 - 166
32	32	chain 'D' and (resid 167 through 203 )	D	F	167 - 203	167 - 203

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