PDB-6v6n: The crystal structure of a class D beta-lactamase from Agrobacter...

ID or keywords:

Entry

Database: PDB / ID: 6v6n

Title

The crystal structure of a class D beta-lactamase from Agrobacterium tumefaciens

Components

Beta-lactamase

Keywords

HYDROLASE / Class D beta-lactamase / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID

Function / homology

Function and homology information

penicillin binding / antibiotic catabolic process / cell wall organization / beta-lactamase activity / beta-lactamase / response to antibiotic
Similarity search - Function

Biological species

Rhizobium radiobacter (Agrobacterium genomosp. 4)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 1.85 Å

Authors

Tan, K. / Wu, R. / Endres, M. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)

Funding support

United States, 1items

Citation

Journal: To Be Published
Title: The crystal structure of a class D beta-lactamase from Agrobacterium tumefaciens
Authors: Tan, K. / Wu, R. / Endres, M. / Joachimiak, A.

History

Deposition	Dec 5, 2019	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 18, 2019	Provider: repository / Type: Initial release
Revision 1.1	Apr 2, 2025	Group: Data collection / Database references / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6v6n.cif.gz	489 KB	Display	PDBx/mmCIF format
PDB format	pdb6v6n.ent.gz	335.5 KB	Display	PDB format
PDBx/mmJSON format	6v6n.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	6v6n_validation.pdf.gz	487.6 KB	Display	wwPDB validaton report
Full document	6v6n_full_validation.pdf.gz	493.3 KB	Display
Data in XML	6v6n_validation.xml.gz	40.1 KB	Display
Data in CIF	6v6n_validation.cif.gz	56 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/v6/6v6n ftp://data.pdbj.org/pub/pdb/validation_reports/v6/6v6n	HTTPS FTP

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Related structure data

Similar structure data	3sc0-d 4atf-2 6tv5-d 1q74-1 6bdr-d 2ovh-d 1k4o-d 3t7r-1 6bcd-d 3nro-2 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetTrack: CSGID-IDP97214

Similar structure data

Other databases

TargetTrack: CSGID-IDP97214

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Beta-lactamase

B: Beta-lactamase

C: Beta-lactamase

D: Beta-lactamase

hetero molecules

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

1

A: Beta-lactamase

hetero molecules

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

2

B: Beta-lactamase

hetero molecules

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

3

C: Beta-lactamase

hetero molecules

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

4

D: Beta-lactamase

hetero molecules

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

Unit cell

Length a, b, c (Å)	58.119, 101.655, 108.142
Angle α, β, γ (deg.)	90.000, 97.841, 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	Beta-lactamase Mass: 27798.094 Da / Num. of mol.: 4 / Mutation: D195Y Source method: isolated from a genetically manipulated source Source: (gene. exp.) Rhizobium radiobacter (Agrobacterium genomosp. 4) Gene: oxa, AtA6_05530, BV900_07365 / Plasmid: pMCSG53 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21-Gold(DE3) / References: UniProt: A0A1V2APZ1, beta-lactamase
#2: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₃H₈O₃
#3: Chemical	ChemComp-FMT / FORMIC ACID Mass: 46.025 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: CH₂O₂
#4: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO₄
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 391 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N
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: 2.85 Å³/Da / Density % sol: 56.86 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 7 / Details: 0.15 M DL-Malic acid, 20% (w/v) PEG3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.97918 Å
Detector	Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Sep 25, 2018
Radiation	Monochromator: Si 111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97918 Å / Relative weight: 1
Reflection	Resolution: 1.85→46 Å / Num. obs: 102685 / % possible obs: 97.3 % / Observed criterion σ(I): -3 / Redundancy: 3.1 % / B_iso Wilson estimate: 27.72 Å² / R_merge(I) obs: 0.109 / R_pim(I) all: 0.075 / R_rim(I) all: 0.133 / Χ²: 1.895 / Net I/σ(I): 15.92
Reflection shell	Resolution: 1.85→1.87 Å / Redundancy: 2.7 % / R_merge(I) obs: 0.507 / Mean I/σ(I) obs: 1.34 / Num. unique obs: 3294 / CC_1/2: 0.642 / R_pim(I) all: 0.369 / R_rim(I) all: 0.632 / Χ²: 0.365 / % possible all: 93.9

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Processing

Software

Name	Version	Classification
SBC-Collect		data collection
PHENIX	1.16_3549	refinement
HKL-3000		data reduction
HKL-3000		data scaling
HKL-3000		phasing

Refinement

Method to determine structure:

SAD / Resolution: 1.85→45.92 Å / SU ML: 0.2533 / Cross valid method: FREE R-VALUE / σ(F): 1.38 / Phase error: 28.0628

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2479	5113	4.98 %	random
R_work	0.2114	-	-	-
obs	0.2132	102587	96.92 %	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Displacement parameters

B_iso mean: 37.76 Å²

Refinement step

Cycle: LAST / Resolution: 1.85→45.92 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7634	0	32	391	8057

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0044	7985
X-RAY DIFFRACTION	f_angle_d	0.7108	10882
X-RAY DIFFRACTION	f_chiral_restr	0.048	1163
X-RAY DIFFRACTION	f_plane_restr	0.0055	1435
X-RAY DIFFRACTION	f_dihedral_angle_d	17.1355	4749

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
1.85-1.87	0.3265	160	0.2838	2835	X-RAY DIFFRACTION	84.72
1.87-1.89	0.3609	156	0.276	3257	X-RAY DIFFRACTION	97.63
1.89-1.92	0.3099	167	0.2563	3311	X-RAY DIFFRACTION	98.81
1.92-1.94	0.2808	180	0.2569	3301	X-RAY DIFFRACTION	98.7
1.94-1.97	0.298	172	0.2501	3258	X-RAY DIFFRACTION	98.71
1.97-1.99	0.2913	168	0.2532	3349	X-RAY DIFFRACTION	98.57
1.99-2.02	0.2938	170	0.2429	3239	X-RAY DIFFRACTION	98.38
2.02-2.05	0.3395	158	0.2386	3312	X-RAY DIFFRACTION	98.16
2.05-2.09	0.2731	184	0.2322	3291	X-RAY DIFFRACTION	98.22
2.09-2.12	0.2811	167	0.232	3214	X-RAY DIFFRACTION	97.46
2.12-2.16	0.2982	165	0.2248	3270	X-RAY DIFFRACTION	96.98
2.16-2.2	0.2684	170	0.2245	3180	X-RAY DIFFRACTION	95.91
2.2-2.24	0.2852	179	0.2204	3314	X-RAY DIFFRACTION	98.2
2.24-2.28	0.2855	171	0.2233	3262	X-RAY DIFFRACTION	98.82
2.28-2.33	0.269	193	0.2188	3308	X-RAY DIFFRACTION	98.81
2.33-2.39	0.2808	189	0.2236	3262	X-RAY DIFFRACTION	97.98
2.39-2.45	0.2429	159	0.2198	3284	X-RAY DIFFRACTION	98.12
2.45-2.51	0.2779	184	0.2316	3277	X-RAY DIFFRACTION	97.77
2.51-2.59	0.2878	175	0.2266	3223	X-RAY DIFFRACTION	97.06
2.59-2.67	0.2848	159	0.2314	3242	X-RAY DIFFRACTION	95.99
2.67-2.77	0.275	172	0.2299	3307	X-RAY DIFFRACTION	98.39
2.77-2.88	0.2684	163	0.2273	3275	X-RAY DIFFRACTION	98.12
2.88-3.01	0.2384	161	0.22	3294	X-RAY DIFFRACTION	97.57
3.01-3.17	0.2623	162	0.2198	3279	X-RAY DIFFRACTION	97.01
3.17-3.36	0.2458	174	0.2234	3216	X-RAY DIFFRACTION	95.95
3.36-3.62	0.2288	157	0.2012	3242	X-RAY DIFFRACTION	95.83
3.62-3.99	0.231	194	0.1891	3233	X-RAY DIFFRACTION	97.14
3.99-4.56	0.2098	165	0.1707	3231	X-RAY DIFFRACTION	95.61
4.56-5.75	0.1878	157	0.1747	3197	X-RAY DIFFRACTION	93.84
5.75-45.9	0.2034	182	0.198	3211	X-RAY DIFFRACTION	93.57

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	5.36839473512	-5.77297830241	0.378345191472	6.32862421863	-0.631778122736	1.59598571831	0.0226030804955	0.0666251456335	0.29215533973	-0.074932975995	0.120975411334	0.0868193640031	-0.637099274417	-0.208351640688	-0.190894786967	0.5344315089	0.0767708911054	-0.082314183228	0.357634342665	0.0287429648522	0.513437647366	-12.9710966181	-45.6478557484	17.9223201265
2	3.06635134566	0.368769345723	1.0767229582	2.59491542758	-0.0339762425107	2.0824708068	0.224601146658	0.343006318492	-0.115592262323	-0.285128213546	0.0802221477187	-0.103977309861	0.00146784185454	0.160577222177	-0.278750522286	0.296953040344	0.0213209599458	-0.0347481455622	0.293610134284	-0.067489622859	0.271644644621	2.20476953324	-52.7949771186	19.344929689
3	1.55641177083	-1.37310368481	-1.38695934739	4.30554810648	0.833663449619	1.38991325675	-0.929743287166	0.00480259969468	0.49828055272	0.662178157386	-0.0417000814711	0.0861692612662	-0.32185144927	0.316567357499	0.403935431378	0.347052394572	-0.225296512486	-0.279699828505	0.588714725697	-0.434009695697	0.848477968278	17.1735041663	-41.9582110927	34.1511465421
4	2.38303740586	-0.384360113273	0.108391789584	2.97658103681	-0.763222255803	3.72282022534	0.0727220266442	-0.0367537196953	0.678969100031	-0.0805880984616	0.152095175841	-0.801072778293	-0.45595622407	0.505074006583	-0.187764561149	0.260457622734	-0.0879839920919	0.0734758667131	0.348865952207	-0.0849533885149	0.552174860028	12.4448800431	-41.4654290955	24.0133443729
5	2.21982644702	0.800665862559	-0.903489437145	2.48835188235	-0.348853603735	2.43910536253	-0.0993740221999	-0.00678571771424	0.0891451943993	-0.089528382447	0.0984133878882	-0.305654527372	0.0775236264933	0.168399106939	0.0179954027678	0.18941333348	-0.00872951023731	0.0124809984682	0.27165415601	-0.0478697853851	0.235770566449	5.89972332351	-53.7565366889	23.0857952718
6	3.60144884866	-3.32990228882	0.725668832971	3.19862312278	-1.58124830299	3.24017904052	0.107865898651	0.0354940748083	0.331492862668	0.0282874004925	-0.176263699232	0.000891972132679	-0.302198586235	-0.0532792179119	0.0863284194641	0.200355186861	0.0165998017351	-0.0353828483554	0.27166277214	-0.0237942796234	0.262669484342	-5.52075689197	-46.958904483	24.5305135695
7	5.32786092425	1.38097266442	-0.10211617275	4.47221821519	4.50316298357	6.28595518811	0.0639937492814	-0.254589339167	0.306855784628	-0.34149487861	-0.800599267266	1.86151491927	0.124594885914	-1.03233826199	0.547316237243	0.257552110555	0.0183755158401	-0.110017183256	0.340931523559	0.00547531542241	0.328860645767	-9.20951844973	-56.9739581626	29.570757238
8	6.32318464385	-0.603491749826	-1.1119551401	6.03972627007	-2.2988421445	4.15787774479	-0.0871985953564	-0.184988690315	0.108582428231	-0.473795620121	0.144995656891	0.613826640884	-0.0963746294579	-0.246632471467	-0.0222688925069	0.235651718685	0.052144834516	-0.103061861725	0.313933276628	-0.0685434189139	0.269096048935	16.2525383296	-14.1946269743	-11.3756504859
9	4.05332455784	-0.0894534813497	0.542733757792	2.03805354633	-0.153644252787	3.0711949826	0.0652924916138	0.15009813944	-0.253689472389	-0.188431741886	-0.0981696732973	-0.175244293199	0.589818296812	0.382979085365	0.0482524645539	0.350433889525	0.195843483435	-0.0200457381204	0.34662800025	-0.0315691744431	0.245644208013	32.4513610115	-25.8435692212	4.81995692487
10	1.3730691767	0.128672963139	0.0823554851544	0.819089162102	0.149779577234	2.32078282554	-0.0570104717178	0.0134109909197	-0.0591630042694	0.0151826777355	0.0676718690162	-0.188390316043	0.159383523395	0.129462949542	0.0225768974026	0.149121311799	0.0783215045041	0.00273943639608	0.243150123821	-0.0279509561265	0.231962680556	26.590878382	-15.125025728	-1.44582505986
11	3.47077912918	-0.105765331831	0.605827627004	2.32982067044	1.12052790313	3.29879507137	0.0898426332955	0.303103082455	-0.135944909163	-0.318708461326	-0.21944232282	-0.123585015055	0.308984116559	0.0174694777722	0.0992889073522	0.216819368116	0.0339177908855	0.00459379213291	0.328163629334	-0.0517972798256	0.232304753264	25.0456785937	-18.4459970062	-13.8959405897
12	3.7354345344	-1.97513353975	0.312690530633	5.30653641637	-1.97149729377	1.99147078736	0.180844301023	0.0175149267704	0.147978455419	-0.385322068025	-0.302218699846	0.307873140473	0.0825729159276	-0.248118233281	0.165808834872	0.231175318723	0.0573024509551	-0.107801033211	0.276248774126	-0.0502854359377	0.319170787269	-22.9330288916	-15.6190564822	43.2104933985
13	1.37576296249	0.256053697882	0.871062637	1.45353368934	1.7397984535	8.04619318368	0.0718153136823	-0.137147333788	0.12766315896	0.0828424750017	0.100583844242	-0.13447742353	-0.112358124305	0.367842764879	-0.228143450059	0.110023189735	-0.0312237264963	-0.0141954911934	0.155784016465	0.000886942942596	0.200645719552	-8.86645676924	-21.2418123037	58.3591254916
14	2.07426097746	-2.05943416648	-0.310605415891	7.72247880523	2.74701848891	5.97881772715	0.055047411014	-0.172465064957	-0.494928962162	0.0583846174691	0.0342347132431	-0.692560338715	0.584522438745	0.496770968011	-0.0978409213477	0.236752553411	0.0359852109721	-0.0552709192502	0.363945749217	0.0995256985449	0.491448508915	2.75563764327	-28.373482665	58.2894663205
15	5.49554928895	-1.31646608712	-1.57693411776	4.1444707482	0.577249058463	4.15892046631	0.105116054661	-0.118045310816	-0.114434390142	0.0291754772898	-0.212805771878	-0.341868623638	0.327666045613	0.384009848494	0.0761412053771	0.12528690801	-0.0115860861089	-0.0589951067029	0.202372301472	0.0342892769669	0.245473554594	-4.91995180367	-27.0159634527	58.5282098755
16	4.42956638079	0.0420707740598	-0.0814596644331	2.10630764581	-0.435942457353	3.61086117572	-0.0946466131457	-0.057987953459	-0.234295678039	0.199328966628	-0.0525116101952	0.160970259366	0.510193983562	-0.323021004046	0.132250551946	0.221499122772	-0.0774760660995	-0.00718157215984	0.186786267506	-0.0144946331478	0.248184855664	-18.1206922628	-31.5327062988	57.4254165894
17	3.690389188	4.18938146264	5.27686199896	5.19630278083	7.01811458018	9.67232425038	0.00817147527686	-0.113864101514	-0.178531234943	-0.37035448994	-0.116559530104	-0.262267577084	-0.257782405405	-0.356915623355	0.192909268153	0.142534001165	0.00314967076728	-0.0141877320359	0.164541742085	-0.00493939530294	0.195239116369	-17.7525773829	-12.7284572195	53.4056059134
18	4.19303854025	-0.687572165828	-5.72197573697	4.71010321978	1.26636317309	8.05435098546	0.362230778296	0.0621576458956	0.477815110154	0.0813887832761	-0.122106147095	-0.508098250773	-0.622920136356	-0.0534147891584	-0.222100968916	0.19275412465	-0.0125565718634	-0.00205705693618	0.288087298466	0.0277566834014	0.21717876256	-8.38035115461	-11.0747833667	61.1037759839
19	1.85556116812	0.547676549341	-0.589354412912	5.56788242203	-2.12247173305	3.62692916418	0.526973049622	0.549563466287	0.353505657016	0.339620834389	-0.301904184653	-0.0990310811081	-0.23546632191	0.364324712076	-0.147066009714	0.128871436715	0.0392886548424	0.118684638804	0.286078718386	0.0997861521227	0.339156761456	-6.33458286395	-12.8518863572	42.4558819862
20	3.19329905369	-1.7700752557	-0.281995573163	4.67440370246	0.463388405992	4.15700210038	0.55888752114	-0.11021069756	-0.400389780771	0.195831572704	-0.848538546446	0.620489277409	1.00389566762	-0.468350555942	0.0689443759186	0.318081913074	-0.0419678180631	-0.0364141720223	0.276494862357	-0.0494249099717	0.322773651276	-16.8371781888	-28.0520779957	44.2398562169
21	4.03657383111	0.760212631182	-0.2787237976	2.07333723488	2.44243776721	3.3947065856	0.0715265753639	0.368936601382	-0.0988833159935	-0.856341803256	0.1054788034	-0.246715964154	-0.129295241036	0.151197996283	-0.256419764582	0.29974058067	0.0529417731561	0.0342239477865	0.302892773012	-0.00310275929779	0.228165912151	-14.8083470312	-18.7802632101	39.7566504814
22	7.80302096464	2.95189250963	0.674707820378	8.26074616659	-0.314452787731	2.36000039774	0.229772780735	0.963484015149	0.748214443213	-0.471669581927	-0.426939742994	-0.713378915454	-0.552865304307	0.0122936327153	0.0828733915021	0.338590425894	0.0677851187436	0.0708842863027	0.368693630445	0.0381503165863	0.306440182222	-12.2918138453	-14.0009766756	36.2432776443
23	3.22176292256	-0.948188885046	0.77769329303	3.4941902606	-0.000988553107656	2.41602815136	-0.0791568146823	-0.253043927688	0.176092881373	0.355499229591	0.0679263772046	-0.476015036354	0.0525094411522	0.131297265118	0.000318244881445	0.203403607949	0.00833027563021	-0.0268293137856	0.169139486634	0.0114781889253	0.22108564418	20.0877078378	-2.88671929427	34.7681994505
24	2.16971939006	-0.104804596256	-0.0506656908166	5.0710288001	0.403626671403	3.21773282987	-0.0156640770148	0.350569379259	0.292375317159	-0.806864892745	-0.000315707795226	0.0899197951373	-0.42716683546	-0.108494927926	-0.0479997488577	0.335738106485	0.0663649973909	-0.0391202139233	0.309984821173	0.0817548586476	0.245972222306	5.57505047569	6.42981429572	18.4011101063
25	2.76060338973	0.583329515886	0.11752385907	1.75193600447	0.626047853864	3.84258569037	0.101234964781	-0.115718806481	0.386875408115	0.0122519931308	-0.0911445173407	0.271127345186	-0.281418428988	-0.23190761655	0.028673207667	0.20592293299	0.0533403972955	0.0252555353506	0.17818676889	-0.0172385199729	0.230662294967	6.81419512902	8.6758686522	35.2898619274
26	4.68623897524	4.91106915779	3.64901413866	5.1178043273	3.82715554834	2.87789388061	0.247878577672	-0.492086820393	-0.0277571000482	0.919844560608	-0.273009189645	0.0333583249497	0.455395139363	-0.0378899815662	-0.0130638311153	0.299398143807	0.0540035373635	0.035917455812	0.262438767532	0.0206438153122	0.257717583012	14.7376130909	-7.98682137212	36.6572774027
27	5.54599438962	-0.407259212333	-3.74426351532	4.47055368277	-0.369846730486	7.56537336596	-0.223335477155	0.0884426564591	-0.293662226568	-0.0731148458095	0.0099219905606	0.19154426818	0.804611218056	-0.24436021824	0.195518852327	0.150272347967	0.0105707335326	0.0176659540703	0.157036162378	-0.00903665916152	0.226973246745	5.36761528893	-9.32037823754	29.9674276442
28	4.07187940725	-0.0103585897412	-0.715149867387	5.07268022184	1.53575999576	4.3584860403	0.125479279655	-0.0268527411603	0.541532052417	0.250923879397	-0.233701242698	-0.0637226569755	-0.237651685931	0.22504186383	0.112106648973	0.192949496264	0.00762734515277	-0.0226061751908	0.177600352883	0.0257749616497	0.177632007428	22.405637378	1.04563795494	27.6006526274
29	3.42338783977	0.795787761245	-0.645341292937	5.14606734764	0.26510662971	4.21142183539	-0.267670256295	0.387327957125	0.101415114004	-0.231604495917	0.438871117695	-0.591114211363	-0.137423158624	0.489866489511	-0.149043245214	0.155053779706	-0.0186494507132	-0.0249518306545	0.302001057197	-0.0107567237648	0.23163944066	26.6358886684	-1.01721020095	27.974950364
30	5.67261404097	1.24213860872	-0.883450064431	4.99980541823	-1.31825235734	7.21630046862	-0.110873832605	-0.0504271291749	0.172624198533	-0.259624222565	-0.246376410007	-0.946957385934	0.293211437178	0.700791627123	0.311748674798	0.234015364876	0.0165097683159	0.0115436104941	0.229934264174	-0.013044619391	0.260386876537	28.752860016	-5.40468132632	23.7205623863

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 23 through 38 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 39 through 72 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 73 through 92 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 93 through 147 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 148 through 209 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 210 through 253 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 254 through 272 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 28 through 57 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 58 through 147 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 148 through 209 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 210 through 273 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 28 through 57 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 58 through 72 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 73 through 92 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 93 through 132 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 133 through 161 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 162 through 174 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 175 through 190 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 191 through 209 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 210 through 233 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 234 through 253 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 254 through 273 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 28 through 72 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 73 through 109 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 110 through 161 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 162 through 174 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 175 through 192 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 193 through 233 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 234 through 253 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 254 through 271 )

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