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Yorodumi

- PDB-9f7m: Blastococcus Orn bound to pGG -

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Open data

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Basic information

Entry

Database: PDB / ID: 9f7m

Title

Blastococcus Orn bound to pGG

Components

Oligoribonuclease
RNA (5'-R(P*GP*G)-3')

Keywords

HYDROLASE / DEDD family / Dinuclease

Function / homology

Function and homology information

3'-5'-RNA exonuclease activity / nucleic acid binding / Hydrolases; Acting on ester bonds / cytoplasm
Similarity search - Function

Biological species

Blastococcus aggregatus (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.65 Å

Authors

Mortensen, S. / Sondermann, H.

Funding support

United States, 1items

Citation

Journal: Nucleic Acids Res. / Year: 2025
Title: Structural and bioinformatics analyses identify deoxydinucleotide-specific nucleases and their association with genomic islands in gram-positive bacteria.
Authors: Mortensen, S. / Kuncova, S. / Lormand, J.D. / Myers, T.M. / Kim, S.K. / Lee, V.T. / Winkler, W.C. / Sondermann, H.

History

Deposition	May 4, 2024	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Dec 4, 2024	Provider: repository / Type: Initial release
Revision 1.1	Apr 9, 2025	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	9f7m.cif.gz	668.5 KB	Display	PDBx/mmCIF format
PDB format	pdb9f7m.ent.gz	446.7 KB	Display	PDB format
PDBx/mmJSON format	9f7m.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9f7m_validation.pdf.gz	522.5 KB	Display	wwPDB validaton report
Full document	9f7m_full_validation.pdf.gz	537 KB	Display
Data in XML	9f7m_validation.xml.gz	92.4 KB	Display
Data in CIF	9f7m_validation.cif.gz	128 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/f7/9f7m ftp://data.pdbj.org/pub/pdb/validation_reports/f7/9f7m	HTTPS FTP

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Related structure data

Related structure data	9f7dC 9f7gC 9f7jC 9f7lC 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

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Assembly

Deposited unit

A: Oligoribonuclease

I: RNA (5'-R(P*GP*G)-3')

B: Oligoribonuclease

J: RNA (5'-R(P*GP*G)-3')

C: Oligoribonuclease

K: RNA (5'-R(P*GP*G)-3')

D: Oligoribonuclease

L: RNA (5'-R(P*GP*G)-3')

E: Oligoribonuclease

M: RNA (5'-R(P*GP*G)-3')

F: Oligoribonuclease

N: RNA (5'-R(P*GP*G)-3')

G: Oligoribonuclease

O: RNA (5'-R(P*GP*G)-3')

H: Oligoribonuclease

P: RNA (5'-R(P*GP*G)-3')

hetero molecules

197 kDa, 16 polymers
Search similar-shape structures of this assembly by Omokage search (details)

A: Oligoribonuclease

I: RNA (5'-R(P*GP*G)-3')

G: Oligoribonuclease

O: RNA (5'-R(P*GP*G)-3')

hetero molecules

defined by author&software
Evidence: light scattering
49.2 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

B: Oligoribonuclease

J: RNA (5'-R(P*GP*G)-3')

E: Oligoribonuclease

M: RNA (5'-R(P*GP*G)-3')

hetero molecules

defined by author&software
49.2 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

C: Oligoribonuclease

K: RNA (5'-R(P*GP*G)-3')

H: Oligoribonuclease

P: RNA (5'-R(P*GP*G)-3')

hetero molecules

defined by author&software
49.2 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

D: Oligoribonuclease

L: RNA (5'-R(P*GP*G)-3')

F: Oligoribonuclease

N: RNA (5'-R(P*GP*G)-3')

hetero molecules

defined by author&software
49.2 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	79.570, 117.701, 99.466
Angle α, β, γ (deg.)	90.000, 93.617, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb

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Components

#1: Protein	Oligoribonuclease Mass: 23933.125 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Blastococcus aggregatus (bacteria) / Gene: orn, SAMN05660748_0160 / Production host: Escherichia coli (E. coli) References: UniProt: A0A285UWY4, Hydrolases; Acting on ester bonds
#2: RNA chain	RNA (5'-R(PGPG)-3') Mass: 645.454 Da / Num. of mol.: 8 / Source method: obtained synthetically / Source: (synth.) Blastococcus aggregatus (bacteria)
#3: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: Na
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1875 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N
Has protein modification	N

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Experimental details

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.36 Å³/Da / Density % sol: 47.97 %
Crystal grow	Temperature: 292 K / Method: vapor diffusion, hanging drop / pH: 5.5 Details: 0.2 M Sodium chloride, 0.1 M BIS-TRIS (pH 5.5), 25%(w/v) PEG3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: PETRA III, DESY / Beamline: P11 / Wavelength: 1.0329 Å
Detector	Type: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Sep 1, 2022
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.0329 Å / Relative weight: 1
Reflection	Resolution: 1.65→47.28 Å / Num. obs: 216829 / % possible obs: 98.98 % / Redundancy: 6.8 % / B_iso Wilson estimate: 26.07 Å² / CC_1/2: 0.997 / Net I/σ(I): 11.42
Reflection shell	Resolution: 1.65→1.709 Å / Num. unique obs: 21705 / CC_1/2: 0.795

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Processing

Software

Name	Version	Classification
PHENIX	1.19.2_4158	refinement
PHENIX	1.19.2_4158	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.65→47.28 Å / SU ML: 0.1723 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 21.3011
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.191	3571	1.65 %
R_work	0.1706	421899	-
obs	0.1708	216796	98.15 %

Solvent computation

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

Displacement parameters

B_iso mean: 34.44 Å²

Refinement step

Cycle: LAST / Resolution: 1.65→47.28 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12770	376	10	1875	15031

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0061	13408
X-RAY DIFFRACTION	f_angle_d	0.9035	18275
X-RAY DIFFRACTION	f_chiral_restr	0.0535	2113
X-RAY DIFFRACTION	f_plane_restr	0.0083	2308
X-RAY DIFFRACTION	f_dihedral_angle_d	5.9014	1970

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 (%)
1.65-1.67	0.3382	147	0.3015	16376	X-RAY DIFFRACTION	98.86
1.67-1.69	0.2703	127	0.284	16375	X-RAY DIFFRACTION	99.08
1.69-1.72	0.2908	150	0.2634	16369	X-RAY DIFFRACTION	99.18
1.72-1.74	0.2735	129	0.2532	16340	X-RAY DIFFRACTION	98.97
1.74-1.77	0.2572	158	0.2415	16368	X-RAY DIFFRACTION	98.82
1.77-1.8	0.2512	141	0.2313	16280	X-RAY DIFFRACTION	98.71
1.8-1.83	0.2573	139	0.2311	16270	X-RAY DIFFRACTION	98.48
1.83-1.87	0.2624	122	0.2227	16184	X-RAY DIFFRACTION	97.93
1.87-1.9	0.2513	134	0.2297	15977	X-RAY DIFFRACTION	95.99
1.9-1.94	0.2417	144	0.2264	16339	X-RAY DIFFRACTION	98.65
1.94-1.98	0.2792	135	0.2171	16343	X-RAY DIFFRACTION	99.03
1.98-2.03	0.2369	132	0.1919	16375	X-RAY DIFFRACTION	98.89
2.03-2.08	0.2184	144	0.1833	16232	X-RAY DIFFRACTION	98.78
2.08-2.14	0.1988	144	0.179	16280	X-RAY DIFFRACTION	98.7
2.14-2.2	0.1874	137	0.1844	16314	X-RAY DIFFRACTION	98.41
2.2-2.27	0.1805	144	0.1795	16238	X-RAY DIFFRACTION	98.3
2.27-2.35	0.208	122	0.1848	16191	X-RAY DIFFRACTION	98.25
2.35-2.44	0.1966	152	0.176	16256	X-RAY DIFFRACTION	97.98
2.44-2.56	0.2199	122	0.1861	15914	X-RAY DIFFRACTION	96.34
2.56-2.69	0.2522	126	0.1858	15097	X-RAY DIFFRACTION	91.28
2.69-2.86	0.2135	144	0.1816	16355	X-RAY DIFFRACTION	98.79
2.86-3.08	0.182	130	0.1611	16382	X-RAY DIFFRACTION	98.96
3.08-3.39	0.1622	147	0.1533	16290	X-RAY DIFFRACTION	98.94
3.39-3.88	0.1681	136	0.1331	16341	X-RAY DIFFRACTION	98.74
3.88-4.89	0.1226	136	0.1234	16172	X-RAY DIFFRACTION	97.85
4.89-47.28	0.1686	129	0.1574	16241	X-RAY DIFFRACTION	98.18

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	2.65139982913	2.23213699128	1.46630133909	5.06000311058	2.51964945809	4.61881095889	-0.00726992336128	0.098464642479	-0.118737562618	-0.176074316312	0.0311961665567	0.00370840935246	-0.0313104504697	-0.0303493010316	-0.0286573165837	0.19665059302	0.00422439515467	-0.00276298143664	0.207998950321	0.00868200238344	0.179394509905	25.7923111311	-7.50286797085	-63.5170697131
2	3.75020322573	-1.24938242145	1.17650222837	4.15522006759	0.175052945453	7.41023260074	-0.20891946075	0.00777807267269	0.205517432159	-0.0810559943794	0.283897693373	0.498886350531	0.0241310287686	-1.22491825367	-0.0828058579104	0.271413407014	-0.0330513663085	-0.0750608688239	0.403969115148	-0.0156918232099	0.241150913434	14.5202711246	-11.4438052957	-69.4853884067
3	2.71006345849	0.631608217997	-1.88969320214	3.04731759363	-0.434456811291	5.41233371588	0.0569746522534	0.153438421901	-0.0550103379584	-0.249478297201	-0.0677078761803	-0.294000004158	-0.146089599889	0.329404824274	0.0155835438868	0.197427265148	0.00177624700265	-0.00860983742663	0.243543666974	0.0118425223775	0.206663882274	35.160539122	-6.81532441928	-63.1382781575
4	1.27213356782	-0.76022136175	-1.4206432032	1.1325399758	1.01877410602	4.0805180859	-0.000363816111261	0.157584035732	-0.00407074764377	-0.121731693432	-0.0820269793965	0.0828786492294	-0.115254847126	-0.233471695685	0.0726989448865	0.189399906254	-0.0278770796263	-0.0312001246794	0.178423737712	0.000295260844521	0.222460142003	25.2368625626	-2.4706016957	-50.5065649952
5	5.37470005295	3.8862066378	4.69366875793	5.50671917887	4.05416195008	4.23646746633	-0.481582266428	0.723148013031	0.851505183808	-0.304878024321	0.151600523171	0.0168905376658	-0.654419921475	0.342358841817	0.427774192507	0.313436588475	-0.0444830487406	-0.0291966650502	0.261100326847	0.0330308975206	0.281573699488	32.4034289556	8.87135389104	-39.3202829521
6	4.99853013975	3.1133957141	1.4637010779	2.91042616575	-1.44055511974	6.20542451009	0.149867025591	-0.334908430965	-0.0275505964111	0.558860275435	-0.249593098255	-0.36824900742	-0.015914823337	0.186233150397	0.0907481453414	0.277727256712	0.0537234619278	-0.0155553739249	0.373401952519	-0.0373079916001	0.211351184688	42.4800382801	-5.20202569984	-27.6332679237
7	1.18667811292	-0.202436503729	-0.937318969909	2.44774799222	1.51275020446	4.20909264728	0.0769774299488	0.0715835647568	-0.217901280428	0.107654167405	-0.110887079924	-0.00305136381274	0.280812950414	-0.194534474759	0.0494187684221	0.240153121387	-0.039510295031	-0.0462053386937	0.226656482072	0.000905300235694	0.268136646193	-3.56136895651	-27.8891103702	-34.7626929754
8	8.03980146506	3.7673568527	-2.56029566144	6.43226118254	-2.48447244374	3.30037638291	-0.177735787679	0.188973833995	-0.855863364579	-0.38662064923	-0.0844341852552	-0.705760074875	0.534523558299	0.283206212969	0.280180812734	0.366980304957	0.0107720084337	-0.0112976897114	0.260902574379	-0.103223763596	0.378959957583	3.70982299336	-36.9062789302	-41.8134790066
9	4.5911942399	-0.991838251666	-0.604514974158	1.79311624141	2.11067568567	9.08640048218	0.189178981931	-0.130133587884	-0.425956516369	0.382318474056	-0.0345629246805	-0.0739172857497	0.543829251718	-0.350221581649	-0.152534609202	0.315993413694	-0.0950869867316	-0.0100640580176	0.225278269079	0.0359693208046	0.303844313879	-13.8135164835	-31.4106014837	-28.8534219963
10	4.04350781342	0.635215841472	-1.26720998584	1.71950326428	-0.408355834991	3.27003590798	0.0690100130026	0.06349264161	0.00911967918169	0.0372658786492	-0.0987068389102	0.216070410917	-0.0696948914451	-0.0506654028805	0.0308614216582	0.247103166561	-0.0249968551779	-0.0228407401641	0.186754380635	-0.00622989121598	0.240923542045	-10.6656963204	-20.7329565754	-32.9213957692
11	2.14549488741	0.972105896223	-0.0137041805661	1.79374971822	-0.0612727181736	0.64700012389	0.0749222826111	0.016805649377	-0.130597089282	0.0500268281952	-0.00800673863216	-0.131279783919	0.100856476928	0.0295422737878	-0.0683385472844	0.233415950836	-0.012268747163	-0.0203515204525	0.218555953445	-0.00298904123832	0.168803303065	2.13697493821	-15.6100136069	-30.7254482973
12	5.17053684895	-4.94202545645	-3.71503506914	4.75106987233	3.78930330869	4.67731251562	-0.44794934499	-0.850211939609	-0.203373150102	0.962343796158	0.33061796275	0.213969192297	0.436538641591	0.0282527401639	0.102453308241	0.357589025783	-0.0298844269008	-0.00266838982561	0.312206589629	0.00388908209759	0.24497510787	2.02995930176	-3.69861037685	-17.896842409
13	0.870213330413	-0.532083098796	-0.21273988994	4.58244230777	-2.03560027618	2.04769142593	-0.104386820491	-0.0832823319153	0.259445810767	0.0819697651753	-0.0060961255651	0.0457828137746	-0.58732036477	-0.142965781027	0.106002318206	0.231841646642	-0.0374166500195	-0.0253041987267	0.244786138054	-0.0364578337399	0.338900407323	-7.49944664315	11.1239451167	-28.5706533332
14	1.15457199988	0.342212481173	-0.31171545548	5.37543937844	2.34363786256	3.19979078579	-0.00668317624358	-0.146803126325	0.0223958181485	0.235698851309	0.0544056537461	-0.0304544417759	0.151450549124	0.046310812205	-0.0547339558149	0.237358266827	0.0470500545974	-0.0191407957198	0.243881567824	0.016084033505	0.206406298989	25.7252607591	13.3373334257	13.2291528632
15	6.31405211707	-1.46041391321	0.421445483833	4.86559850091	-0.732218044381	7.25276613329	0.0753903903189	0.363928345689	0.163573296638	-0.0198595845653	0.0328790534127	0.513224251154	-0.75094135444	-0.533207296935	-0.139952955671	0.332165090501	0.101084922905	0.0166018043415	0.268951191738	-0.0470580347154	0.262804427067	19.1929377504	24.2827527676	16.7253892595
16	1.88694982341	1.31184871707	0.92610661902	7.3085623184	3.09024928826	2.63453821976	-0.112625991278	-0.402844090072	0.0748782295264	1.07637803126	0.08895888941	0.0425300151672	0.408788304326	0.25869395734	-0.000265738966885	0.495341579881	0.151279503653	0.00742756759506	0.396574610035	0.0371576541847	0.205405694912	29.5813794615	5.50186816574	21.8015076871
17	2.67200718119	-0.966452793424	-0.1397506037	1.46466676488	0.161285889895	1.73865368541	-0.179371304329	-0.248077232133	-0.0797432406447	0.350831452405	0.264585930861	-0.102642179146	0.416762713759	0.323614654813	-0.0697901745382	0.327195222582	0.104650093448	-0.0559459884949	0.269446366247	-0.0236169466092	0.198335338456	35.0879396323	6.42174821335	11.3812632461
18	1.83021377451	0.0669784134842	0.437514456198	0.977007490015	-0.260301402806	7.77167540762	-0.0100626607033	-0.0534101687708	0.0232732419272	0.0589791486575	0.0498482628045	0.075835171066	-0.0336170067161	-0.418615127519	-0.0448577749587	0.19910440703	0.0144365808927	-0.0151583790568	0.16572818621	-0.0055790840982	0.20018917481	21.4084780321	8.46079322999	-4.2491599768
19	5.64874825149	-6.84695890937	-5.22499018028	8.36748622797	6.04077574778	5.85680781074	-0.385297892193	-0.2045938181	-1.08957361431	0.413600186743	-0.00288819095816	0.764820851027	0.583174436557	-0.206205992855	0.453680045708	0.325097685489	-0.0445722352015	-0.0178357257957	0.237936674107	0.0122213504426	0.363458346229	23.5481138916	-6.10919818422	-10.0996198018
20	6.44337848101	4.53162293206	-3.28667588364	3.79567635182	-0.878315133437	5.17767660076	-0.391521629367	0.334919204313	-0.277221565549	-0.629168313711	0.356441015155	-0.286577213921	0.137627543728	0.164435688636	-0.000919515162556	0.284459439229	0.0714434426114	-0.04085587234	0.335522058786	-0.0396502772138	0.244845078693	42.0943006033	-4.04021889966	-18.7802499449
21	4.1890698976	-3.24642359462	1.32860167959	4.05040511088	-0.982434943661	1.48611962122	-0.139353337323	-0.0942163995283	-0.0139207403762	0.171606255843	0.0753750247138	-0.0441486608879	-0.00414390728451	-0.0805413803972	0.0759321456583	0.27207579628	-0.0122405354261	-0.0217826959722	0.2397948638	0.0128726923689	0.197014567232	8.69187645643	25.6264296605	-9.74871827084
22	2.39868430545	-0.893727617301	0.122678558663	4.83913421455	0.477838011206	2.84510442729	-0.153730455743	-0.345646751872	0.141708463076	0.50892747029	0.0199825715823	0.190511277039	-0.324570618981	-0.293403318169	0.134997020106	0.253716894969	0.0261241736664	-0.0390514287368	0.292081393904	-0.0104014502068	0.160578314991	-2.09176448307	34.2237432264	-7.86781247976
23	4.04852850466	0.936681164178	-0.265464632836	4.79125549898	-1.77630062884	6.90497231241	-0.203059605472	-0.188562953906	0.21946673793	0.0478951375767	0.139446862567	0.756689348746	-0.26425515533	-0.743342745568	0.0570219806057	0.332859533994	0.15868570794	-0.0201827170081	0.415532263611	-0.0922209564047	0.287053235406	-11.7336645491	40.8975089641	-8.16762178267
24	2.70787759356	-1.49280475251	-0.361630706799	6.09413176473	2.23784800166	4.89925719618	-0.182430318205	-0.491331272213	-0.0867686735252	0.569696656247	0.139513289399	0.251452168722	0.00728111619786	-0.34231430383	0.0410364794024	0.367105236979	0.0219878296755	0.0248216699847	0.405846348955	0.0675018328332	0.244308622537	1.93501583341	26.0335269195	1.10325029273
25	0.967296827192	-0.155010853706	-0.206586235152	0.766612827412	-0.0713870311823	2.93174944787	-0.0549219566137	-0.215881412524	-0.0021987556188	0.160259279007	0.075380024602	-0.032703213904	-0.0441281233958	-0.0614166662561	-0.0215857477033	0.244850162983	0.00689534723412	-0.043531018343	0.22280454621	-0.00383665869828	0.215355398446	10.1183400866	30.4320338606	-12.1038165103
26	2.53240088228	-0.180445134502	-1.65082062621	0.927118763484	1.09189218827	5.890999949	0.0125750606888	0.083656064825	0.0354519801592	0.0242568520229	-0.0887777964111	0.00107384639281	-0.303169506196	-0.30351203508	0.0662410331764	0.233358435667	-0.0131525461618	-0.0385249880172	0.200140299141	0.00522756468307	0.233880759341	-0.278952829524	27.7898606401	-24.9527973211
27	8.0067933254	-5.32202427418	3.37138118254	4.80450773948	-0.531807401217	4.44135668966	0.111254441628	-0.0539325881657	-1.3804827586	0.34739901857	0.136754460574	0.283022483769	0.43769082765	-0.180265840817	-0.23674142594	0.29010174138	-0.0150438668834	-0.0136011006954	0.208866243604	0.00412248631991	0.418572497011	13.3278050451	16.3806116612	-29.3549609893
28	3.99567699222	0.313768013343	-0.572088020094	5.13997834714	-0.257331009676	3.66391613275	0.167365564146	0.171005513676	0.175480445793	-0.286686006273	-0.0464634413397	-0.795245695543	-0.272219471101	0.508675039243	-0.144430577599	0.221137524131	-0.0241164298461	0.0657721130738	0.339974176209	-0.00892844497989	0.344400793769	32.0040354869	27.2663425194	-30.1797139883
29	5.20590853701	1.03394201496	0.834951066651	2.30875791384	0.967888346002	1.60098940356	0.110191512879	0.127197026674	-0.110863653248	-0.0476414411394	-0.0626484608938	-0.0328230940279	0.0953287833964	0.0137590150551	-0.0564985140039	0.180722607533	-0.00223220365816	-0.0159552412753	0.201648081022	0.0260312862773	0.116173549451	-7.24907295051	-5.82320561885	-46.6916024446
30	6.43303199874	3.04767882589	0.231887490563	3.21415209495	-0.924079767739	3.56162253302	-0.231653129267	0.627259193287	0.156534064396	-0.297058481959	0.136730361341	0.12823185838	-0.0589860762181	-0.0395110525895	0.0989910287146	0.201116550374	0.107467313427	0.0321144344661	0.159564727606	-0.0559236414325	0.239020593091	-12.2902935677	-0.461491065996	-48.8264309456
31	4.45636641682	-1.21768420243	-3.14505971961	2.90983514571	-1.57987204728	8.03912721975	0.199787396501	0.397932826456	0.133316165065	-0.195563305341	0.00495720582092	0.396309104959	0.0946210393037	-0.903496232234	-0.200844128926	0.223591989352	-0.0165703377844	-0.0743944058227	0.392437671913	-0.0250177332081	0.300306998716	-24.5698849538	-0.96350045168	-50.3149672305
32	4.59581763669	-0.0200312781405	-0.50068163259	3.1893796202	0.262090452382	4.27935604513	0.255164369699	0.468713967932	0.0678547728016	-0.407766610684	-0.0735706920989	-0.306517560439	-0.0224212362572	0.317790412888	-0.164970664396	0.205022299324	0.0126163082741	0.0402840882514	0.226942858861	0.024007148258	0.221491428548	-0.425040059794	-3.32370950087	-51.3638858107
33	0.764361249714	-0.289237188307	-0.380075061486	1.1159710487	0.335972104675	1.49525775142	0.0532653751637	0.0555050436426	-0.0276767723685	-0.00776579919072	-0.079505376115	0.10559161444	0.0121160951412	-0.142967270476	0.0290046350835	0.18381291296	-0.0361453055436	-0.0073050945183	0.218239223058	-0.000810593843981	0.22369906203	-7.24279273901	-4.34385415375	-36.253485988
34	3.34089185112	-4.04718438611	-1.37103272409	4.97746111907	1.97423700791	2.28531785286	0.15956735506	0.0506284015116	0.579011791875	-0.0567953818611	-0.0945697733879	-0.425637877777	-0.134135779938	-0.0449372857468	-0.0665948975463	0.266892962372	-0.0534258037411	-0.0178605445923	0.256936559639	0.0050533834899	0.29210506642	6.75998104068	1.2285978576	-24.2062597432
35	7.80338615328	3.81654640272	1.25743422925	2.92330856114	-0.961504682936	4.20397673091	0.221391772122	-0.54116661407	-0.166799796276	0.793733289274	-0.205198757086	-0.665564081651	0.160745126535	-0.0535857186981	0.0286146503096	0.300277588505	0.0264253323828	-0.0965920407322	0.268528073923	-0.00115550860077	0.249211838012	12.4323050712	-17.772820122	-19.4700964319
36	2.78221341021	1.7610176897	1.52286402409	3.50072428986	1.12256559681	5.24982013638	0.0194246222346	-0.176203889059	0.131270563225	0.452216257516	-0.0908968635056	-0.130232249035	-0.219096139848	0.190522770062	0.0754401360438	0.291850708682	-0.0444823798526	-0.0596069428523	0.187246804562	0.01605493972	0.229883595104	23.8511702964	44.3623168179	-17.1844436067
37	1.46092808428	0.98031488868	0.134539495679	0.989495473066	0.881984032795	1.88147655815	0.383567477776	-0.294937755291	-0.534547390898	0.94797900419	-0.294323315861	-1.04347535447	0.142816370596	0.379052620451	-0.0925516734363	0.623846572052	-0.158648046257	-0.337334544562	0.384509756902	0.0691708641961	0.607175603569	34.0131487645	45.4437893983	-7.66342849359
38	2.92737347531	-0.239265498048	1.57231912529	5.96917278772	3.14760550099	2.78704192169	-0.334178723805	0.187723695768	0.661482398324	-0.291336703404	0.0912052425526	0.27949314692	-0.885010707546	0.45337261553	0.280804455704	0.397711186169	-0.0905727045511	-0.105746292789	0.252499197009	0.0758423089571	0.403690448657	20.8832767489	54.2602047818	-23.1941988224
39	2.42812509739	-0.057658715036	0.0811980883921	5.13194790957	-1.08595850327	3.97038779986	0.0189008066738	-0.094454736292	0.234035970064	0.0924308328805	-0.0444550601181	0.248033940249	-0.169942981025	-0.176081067691	0.0316913729823	0.221399833777	-0.0371015278325	-0.0313783614602	0.22213817794	-0.0156983493503	0.274641675503	14.686574478	44.5665209816	-20.7471809789
40	1.11559964693	-0.357388519566	0.0439796277788	2.85842337895	-0.0515952325591	0.906002649786	-0.0117958224876	-0.0597907068903	0.118535085402	0.178766345521	-0.00050824532455	-0.406576282811	-0.0717823506041	0.0885224728548	0.00884026951332	0.222681742178	-0.0121296178749	-0.0305470553886	0.233756807063	0.00453118957517	0.248443107056	18.9256382282	31.7969541006	-20.4767457301
41	6.83654382562	3.50010955105	1.60644760059	4.07098532095	1.38097366849	0.548014957032	0.00339485336286	0.258134222083	-0.0848093032716	-0.0720442056616	-0.0362963856309	-0.21725217633	-0.111336518739	0.101157084114	0.0393031498715	0.232038638809	0.00595390750938	0.00865433674862	0.240548737648	0.0286417575849	0.186413909526	21.2217953895	28.7080731256	-29.3878802202
42	7.66703471059	3.24674462827	-2.67057823508	4.82678209594	-0.901726790889	2.21620674307	-0.0377414506196	0.272309105668	-0.0941669667121	0.0394301681462	-0.0446488537675	0.0678476789219	0.100195920398	-0.254892405014	0.0695590964747	0.193769356408	0.0164723576484	-0.0433614456703	0.168579251229	-0.00637794478144	0.230558502903	-4.21817145025	19.5543290383	-28.3818737439
43	4.15547390168	-1.19663090672	-1.41029290409	3.04926498643	1.4084924721	3.07533152117	-0.163200689951	0.128564484263	-0.662230190826	0.0440039595154	0.0145242905993	0.00924145954833	0.294841305002	0.0401466750488	0.124808606767	0.212957561831	-0.0161215015438	-0.012108524698	0.146494079189	-0.0022411605214	0.284431116326	34.7053512186	-22.5263461131	-41.5955502941
44	0.277605597329	-0.153701422511	0.952484177703	5.2441862023	0.31784818058	3.54992448562	-0.169611247076	0.0610396729859	-0.835168164674	0.100190274398	0.200833948551	-0.775516368607	0.381268912974	0.819580754107	0.00397134651939	0.330580487499	0.132952777206	-0.00498007703899	0.356307749855	-0.119557064388	0.726261959428	48.3835236095	-29.7302720114	-43.5879178319
45	3.02877094997	0.188390685452	-0.166672308772	3.70093025151	-0.102898874496	2.69616795614	-0.0515028705933	0.0323132317912	-0.743946191249	0.160474456576	0.014512531902	0.179557684487	0.427020379216	-0.234388516323	0.038665704007	0.256933749043	-0.0398206399611	0.0116717208204	0.216742498393	-0.00110378654045	0.345124374062	26.1387350983	-22.7059267239	-42.6976835804
46	1.48028627736	0.173292286531	0.530052342219	6.07111180582	-1.28298479852	3.21619388725	-0.0148351457062	0.0263433531723	-0.0617031560099	0.0448686136646	-0.017921000928	-0.366271901652	0.0201955422998	0.216817740842	0.040105726499	0.135219689764	0.00889212347643	0.00540918115776	0.238859103056	-0.0182706784546	0.185554094235	39.6633173104	-6.02571277244	-39.514249606
47	3.80959975965	-5.00267037771	0.425900082911	7.1333107748	1.10431288835	4.69674231237	-0.156337820728	-1.30101814962	-0.794145871665	0.20165895115	0.215573418972	0.35213311879	-0.245760813554	-0.296382588702	-0.0714951768348	0.263033231046	0.0166568040875	-0.0119154205141	0.360401144371	0.012185391143	0.246180943159	27.8110151058	4.09649472647	-32.940401036
48	3.19431069081	-1.37905510304	-1.17973720727	3.06820548598	0.399151081107	8.45641233802	-0.034865804882	-0.0224488476821	0.242432036273	-0.211104421678	0.0795890960536	0.168631916048	-1.54476779804	-0.713247515056	-0.0481020024133	0.428370871339	0.100193763904	-0.105272749784	0.219038111331	-0.0186031862177	0.352321763558	18.1514189667	11.0196086437	-49.9854883888
49	2.56197388434	-1.01203912527	0.191757859639	2.12225889143	-0.70974710681	2.1407612792	-0.133801030083	-0.363656476313	0.513710357561	0.233003764438	0.0692786225218	-0.461046017406	-0.284235889275	0.549523111985	0.0976721894417	0.228168764653	-0.0413213256564	-0.0511350082276	0.422582709676	-0.0545969261348	0.295743267678	46.8108324884	15.5054718455	-5.77721401895
50	3.64473938838	0.0912496139696	0.424033390251	1.48391421004	-0.0784105841361	2.73269202916	-0.0596256559509	-0.165099711929	0.617030051836	0.178343326887	-0.0439100944378	-0.48236608698	-0.360571597365	0.677867197836	0.144472306284	0.272559433431	-0.081617083897	-0.0584103341052	0.379777063774	-0.016342906856	0.38826993837	49.9284692272	17.591180236	-6.41262077731
51	1.83705857705	-0.736320688114	-0.190533884654	2.3022681304	0.0639600415841	1.66472565357	-0.0533769433004	-0.169449379633	0.145609274108	0.163499578312	0.101731442903	-0.372276344839	-0.0286138999779	0.291743277358	-0.054619006153	0.263231677277	0.0337072821715	-0.0570735347169	0.290859839436	-0.0296629490517	0.232537856558	38.6857071442	7.83145941684	-3.71001834897
52	6.64597148378	0.53110580394	-0.903618459982	1.12606148004	0.552069250421	0.754267612473	-0.0140721723979	0.274491434701	0.010164314474	-0.0405733249152	-0.00266517841787	-0.00702207324419	0.114281390686	0.165516196038	0.00472348861701	0.269775639386	0.0379978028084	-0.0369139679733	0.247475484495	-0.0125467491322	0.164786081948	35.1098389694	2.1890889328	-14.0028523269
53	7.10713446976	0.0454890316316	-0.971563395287	3.07105818719	-1.07447606987	6.85396787709	0.0324447739826	-0.377980353987	-0.273391702104	0.306678280064	-0.0953560249026	0.276225773029	0.223997081206	-0.887914248064	0.059971288943	0.234079366973	-0.0671930844469	-0.0153512946783	0.282763947757	-0.0135255437521	0.29553345383	10.413040974	2.92886212226	-2.45594194363

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 5 through 59 )	A	A	5 - 59	1 - 55
2	2	chain 'A' and (resid 60 through 81 )	A	A	60 - 81	56 - 77
3	3	chain 'A' and (resid 82 through 120 )	A	A	82 - 120	78 - 116
4	4	chain 'A' and (resid 121 through 177 )	A	A	121 - 177	117 - 173
5	5	chain 'A' and (resid 178 through 188 )	A	A	178 - 188	174 - 184
6	6	chain 'A' and (resid 189 through 209 )	A	A	189 - 209	185 - 205
7	7	chain 'B' and (resid 5 through 59 )	B	M	5 - 59	1 - 55
8	8	chain 'B' and (resid 60 through 81 )	B	M	60 - 81	56 - 77
9	9	chain 'B' and (resid 82 through 95 )	B	M	82 - 95	78 - 91
10	10	chain 'B' and (resid 96 through 120 )	B	M	96 - 120	92 - 116
11	11	chain 'B' and (resid 121 through 177 )	B	M	121 - 177	117 - 173
12	12	chain 'B' and (resid 178 through 188 )	B	M	178 - 188	174 - 184
13	13	chain 'B' and (resid 189 through 208 )	B	M	189 - 208	185 - 204
14	14	chain 'C' and (resid 6 through 59 )	C	O	6 - 59	1 - 54
15	15	chain 'C' and (resid 60 through 81 )	C	O	60 - 81	55 - 76
16	16	chain 'C' and (resid 82 through 95 )	C	O	82 - 95	77 - 90
17	17	chain 'C' and (resid 96 through 131 )	C	O	96 - 131	91 - 126
18	18	chain 'C' and (resid 132 through 177 )	C	O	132 - 177	127 - 169
19	19	chain 'C' and (resid 178 through 188 )	C	O	178 - 188	170 - 180
20	20	chain 'C' and (resid 189 through 208 )	C	O	189 - 208	181 - 200
21	21	chain 'D' and (resid 0 through 15 )	D	Q	0 - 15	1 - 16
22	22	chain 'D' and (resid 16 through 59 )	D	Q	16 - 59	17 - 60
23	23	chain 'D' and (resid 60 through 81 )	D	Q	60 - 81	61 - 82
24	24	chain 'D' and (resid 82 through 95 )	D	Q	82 - 95	83 - 96
25	25	chain 'D' and (resid 96 through 145 )	D	Q	96 - 145	97 - 146
26	26	chain 'D' and (resid 146 through 177 )	D	Q	146 - 177	147 - 178
27	27	chain 'D' and (resid 178 through 188 )	D	Q	178 - 188	179 - 189
28	28	chain 'D' and (resid 189 through 210 )	D	Q	189 - 210	190 - 211
29	29	chain 'E' and (resid 0 through 33 )	E	S	0 - 33	1 - 34
30	30	chain 'E' and (resid 34 through 59 )	E	S	34 - 59	35 - 60
31	31	chain 'E' and (resid 60 through 81 )	E	S	60 - 81	61 - 82
32	32	chain 'E' and (resid 82 through 109 )	E	S	82 - 109	83 - 110
33	33	chain 'E' and (resid 110 through 177 )	E	S	110 - 177	111 - 178
34	34	chain 'E' and (resid 178 through 188 )	E	S	178 - 188	179 - 189
35	35	chain 'E' and (resid 189 through 208 )	E	S	189 - 208	190 - 209
36	36	chain 'F' and (resid 4 through 59 )	F	U	4 - 59	1 - 56
37	37	chain 'F' and (resid 60 through 81 )	F	U	60 - 81	57 - 78
38	38	chain 'F' and (resid 82 through 95 )	F	U	82 - 95	79 - 92
39	39	chain 'F' and (resid 96 through 120 )	F	U	96 - 120	93 - 117
40	40	chain 'F' and (resid 121 through 161 )	F	U	121 - 161	118 - 158
41	41	chain 'F' and (resid 162 through 188 )	F	U	162 - 188	159 - 185
42	42	chain 'F' and (resid 189 through 208 )	F	U	189 - 208	186 - 205
43	43	chain 'G' and (resid 0 through 59 )	G	W	0 - 59	1 - 60
44	44	chain 'G' and (resid 60 through 81 )	G	W	60 - 81	61 - 82
45	45	chain 'G' and (resid 82 through 131 )	G	W	82 - 131	83 - 132
46	46	chain 'G' and (resid 132 through 177 )	G	W	132 - 177	133 - 178
47	47	chain 'G' and (resid 178 through 188 )	G	W	178 - 188	179 - 189
48	48	chain 'G' and (resid 189 through 208 )	G	W	189 - 208	190 - 209
49	49	chain 'H' and (resid 0 through 59 )	H	Y	0 - 59	1 - 60
50	50	chain 'H' and (resid 60 through 109 )	H	Y	60 - 109	61 - 110
51	51	chain 'H' and (resid 110 through 161 )	H	Y	110 - 161	111 - 162
52	52	chain 'H' and (resid 162 through 188 )	H	Y	162 - 188	163 - 189
53	53	chain 'H' and (resid 189 through 208 )	H	Y	189 - 208	190 - 209

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