PDB-6m0q: Hydroxylamine oxidoreductase from Nitrosomonas europaea

ID or keywords:

Entry

Database: PDB / ID: 6m0q

Title

Hydroxylamine oxidoreductase from Nitrosomonas europaea

Components

Aerobic hydroxylamine oxidoreductase
Uncharacterized protein

Keywords

OXIDOREDUCTASE / apo-form

Function / homology

Function and homology information

membrane => GO:0016020 / metal ion binding
Similarity search - Function

Biological species

Nitrosomonas europaea (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.99 Å

Authors

Fujiwara, T. / Fujimoto, Z. / Nishigaya, Y. / Yamazaki, T.

Citation

Journal: Appl.Environ.Microbiol. / Year: 2023
Title: Juglone, a plant-derived 1,4-naphthoquinone, binds to hydroxylamine oxidoreductase and inhibits the electron transfer to cytochrome c 554.
Authors: Akutsu, Y. / Fujiwara, T. / Suzuki, R. / Nishigaya, Y. / Yamazaki, T.

History

Deposition	Feb 22, 2020	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Mar 10, 2021	Provider: repository / Type: Initial release
Revision 1.1	Nov 29, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2	May 8, 2024	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.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6m0q.cif.gz	1.7 MB	Display	PDBx/mmCIF format
PDB format	pdb6m0q.ent.gz	1.2 MB	Display	PDB format
PDBx/mmJSON format	6m0q.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	6m0q_validation.pdf.gz	17 MB	Display	wwPDB validaton report
Full document	6m0q_full_validation.pdf.gz	16.9 MB	Display
Data in XML	6m0q_validation.xml.gz	160.7 KB	Display
Data in CIF	6m0q_validation.cif.gz	223.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/m0/6m0q ftp://data.pdbj.org/pub/pdb/validation_reports/m0/6m0q	HTTPS FTP

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Related structure data

Related structure data	6m0pC 4n4nS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	4n4n-d 6m0p-d 4n4o-d 5l6v-3 5w5r-3 5l6v-4 5w6j-3 6shj-d 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

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#22 - Oct 2001 Photosystem I similarity (3) #36 - Dec 2002 Cytochrome c similarity (1) #111 - Mar 2009 Hydrogenase similarity (1) #137 - May 2011 Cytochrome bc1 similarity (1) #232 - Apr 2019 Proteins and Biominerals similarity (1) #59 - Nov 2004 Photosystem II similarity (1) #89 - May 2007 Aconitase and Iron Regulatory Protein 1 similarity (1)

Deposited unit

A: Aerobic hydroxylamine oxidoreductase

B: Uncharacterized protein

C: Aerobic hydroxylamine oxidoreductase

D: Uncharacterized protein

E: Aerobic hydroxylamine oxidoreductase

F: Uncharacterized protein

G: Aerobic hydroxylamine oxidoreductase

H: Uncharacterized protein

I: Aerobic hydroxylamine oxidoreductase

J: Uncharacterized protein

K: Aerobic hydroxylamine oxidoreductase

L: Uncharacterized protein

hetero molecules

477 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Aerobic hydroxylamine oxidoreductase

B: Uncharacterized protein

C: Aerobic hydroxylamine oxidoreductase

D: Uncharacterized protein

E: Aerobic hydroxylamine oxidoreductase

F: Uncharacterized protein

hetero molecules

defined by author&software
Evidence: gel filtration
238 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

G: Aerobic hydroxylamine oxidoreductase

H: Uncharacterized protein

I: Aerobic hydroxylamine oxidoreductase

J: Uncharacterized protein

K: Aerobic hydroxylamine oxidoreductase

L: Uncharacterized protein

hetero molecules

defined by author&software
238 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	141.230, 141.910, 213.110
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

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Protein , 2 types, 12 molecules ACEGIKBDFHJL

#1: Protein	Aerobic hydroxylamine oxidoreductase / hydroxylamine oxidoreductase Mass: 64353.805 Da / Num. of mol.: 6 / Source method: isolated from a natural source / Source: (natural) Nitrosomonas europaea (bacteria) / References: UniProt: A0A1I0F3S0
#2: Protein	Uncharacterized protein Mass: 9688.102 Da / Num. of mol.: 6 / Source method: isolated from a natural source / Source: (natural) Nitrosomonas europaea (bacteria) / References: UniProt: A0A1H9ZKV8

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Non-polymers , 6 types, 2567 molecules

#3: Chemical	... ChemComp-HEC / HEME C Mass: 618.503 Da / Num. of mol.: 42 / Source method: obtained synthetically / Formula: C₃₄H₃₄FeN₄O₄
#4: Chemical	ChemComp-ISW / {3,3'-[(9S)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron / Isoporphyrin containing Fe Mass: 618.503 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₃₄H₃₄FeN₄O₄
#5: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER Mass: 106.120 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#6: Chemical	ChemComp-PGE / TRIETHYLENE GLYCOL Mass: 150.173 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₆H₁₄O₄
#7: Chemical	ChemComp-PG4 / TETRAETHYLENE GLYCOL Mass: 194.226 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₈H₁₈O₅ / Comment: precipitant*YM
#8: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 2501 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	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: 2.4 Å³/Da / Density % sol: 48.83 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.3 / Details: MES-NaOH, PEG 400, potassium nitrate

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: Photon Factory / Beamline: AR-NE3A / Wavelength: 1 Å
Detector	Type: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: Jun 6, 2018
Radiation	Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.99→48.73 Å / Num. obs: 567408 / % possible obs: 99.8 % / Redundancy: 7 % / B_iso Wilson estimate: 27.15 Å² / CC_1/2: 0.995 / R_rim(I) all: 0.214 / Net I/σ(I): 8.38
Reflection shell	Resolution: 1.99→2.11 Å / Num. unique obs: 91130 / CC_1/2: 0.544 / R_rim(I) all: 1.49

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Processing

Software

Name	Version	Classification
PHENIX	1.17.1_3660	refinement
PHENIX	1.17.1_3660	phasing
XDS		data reduction
XDS		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4N4N

4n4n

Resolution: 1.99→46.18 Å / SU ML: 0.2303 / Cross valid method: FREE R-VALUE / σ(F): 1.05 / Phase error: 20.6059

	R_factor	Num. reflection	% reflection
R_free	0.1999	28397	5.01 %
R_work	0.1625	-	-
obs	0.1644	567176	99.82 %

Solvent computation

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

Displacement parameters

B_iso mean: 33.46 Å²

Refinement step

Cycle: LAST / Resolution: 1.99→46.18 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	27024	0	2238	2501	31763

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0112	30234
X-RAY DIFFRACTION	f_angle_d	1.4445	41544
X-RAY DIFFRACTION	f_chiral_restr	0.0512	3918
X-RAY DIFFRACTION	f_plane_restr	0.0077	5196
X-RAY DIFFRACTION	f_dihedral_angle_d	19.0619	10916

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 (%)
1.99-2.01	0.3595	897	0.3458	17218	X-RAY DIFFRACTION	96.02
2.01-2.04	0.3286	939	0.2921	17952	X-RAY DIFFRACTION	99.96
2.04-2.06	0.3068	953	0.2805	18047	X-RAY DIFFRACTION	99.99
2.06-2.09	0.3025	966	0.2714	17991	X-RAY DIFFRACTION	99.96
2.09-2.11	0.2903	934	0.2502	17992	X-RAY DIFFRACTION	99.97
2.11-2.14	0.2725	944	0.2341	17896	X-RAY DIFFRACTION	99.89
2.14-2.17	0.263	960	0.2236	18021	X-RAY DIFFRACTION	99.95
2.17-2.21	0.2721	935	0.2242	18036	X-RAY DIFFRACTION	99.96
2.21-2.24	0.2508	937	0.2157	18000	X-RAY DIFFRACTION	99.99
2.24-2.28	0.2456	953	0.2123	17937	X-RAY DIFFRACTION	99.97
2.28-2.32	0.2488	938	0.2045	18004	X-RAY DIFFRACTION	99.94
2.32-2.36	0.2273	942	0.1927	18009	X-RAY DIFFRACTION	99.92
2.36-2.4	0.2368	954	0.188	17958	X-RAY DIFFRACTION	99.94
2.4-2.45	0.2198	947	0.1812	17994	X-RAY DIFFRACTION	99.97
2.45-2.51	0.2109	948	0.1695	18012	X-RAY DIFFRACTION	99.96
2.51-2.56	0.2032	952	0.1585	18003	X-RAY DIFFRACTION	99.98
2.56-2.63	0.2194	946	0.1638	17981	X-RAY DIFFRACTION	99.98
2.63-2.7	0.2075	950	0.1617	17960	X-RAY DIFFRACTION	99.97
2.7-2.78	0.2099	959	0.1642	18001	X-RAY DIFFRACTION	99.99
2.78-2.87	0.2132	950	0.1652	17966	X-RAY DIFFRACTION	99.98
2.87-2.97	0.2035	945	0.1612	17963	X-RAY DIFFRACTION	100
2.97-3.09	0.2063	928	0.1605	18027	X-RAY DIFFRACTION	99.99
3.09-3.23	0.2145	958	0.1645	18025	X-RAY DIFFRACTION	99.99
3.23-3.4	0.1887	956	0.1536	17984	X-RAY DIFFRACTION	100
3.4-3.61	0.1813	944	0.143	17977	X-RAY DIFFRACTION	100
3.61-3.89	0.169	944	0.1327	17986	X-RAY DIFFRACTION	99.99
3.89-4.28	0.1494	959	0.1142	18034	X-RAY DIFFRACTION	99.99
4.28-4.9	0.1405	950	0.1119	17947	X-RAY DIFFRACTION	99.96
4.9-6.18	0.1549	943	0.1217	17983	X-RAY DIFFRACTION	99.98
6.18-46.18	0.1473	966	0.1252	17875	X-RAY DIFFRACTION	99.42

Refinement TLS params.

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

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	0.355122328737	-0.0542231537356	-0.162380133997	0.360700498033	-0.287887626924	0.417293545842	0.00821164811177	-0.0714556937019	-0.0653958571002	0.0243010957386	-0.0533490789923	-0.149960056768	-0.0471049225625	0.108929100997	-7.28486363023E-6	0.155563587636	-0.0161319427837	-0.0275791693695	0.204092626279	0.0375034480213	0.218736320699	24.9873407366	-53.553189754	32.5683625883
2	0.530443042244	-0.159658141999	0.0249943574605	0.40626007742	0.0413865711569	0.112155559352	0.00126184889495	-0.0519998562186	-0.102808486222	0.0567997032905	-0.032105189443	-0.144928738992	0.00604589350316	0.0783901448071	0.00157620146369	0.190554491707	-0.0265091312224	-0.0373820778034	0.222860588221	0.0674604341257	0.208240847677	21.5629388791	-57.2531655485	40.4597960651
3	-0.00801856397052	-0.0392481169861	-0.0127355239045	0.139919910259	-0.0621218277073	-0.0131985420327	-0.00990662347429	-0.00751696935682	0.00140953600451	-0.00498733104824	0.0038907716253	0.0231497992841	-0.0469664338791	0.0193346645051	5.58667138721E-6	0.19429804895	-0.0183945497381	-0.00569454181194	0.21246180769	0.0196921382961	0.1792393309	6.41367208301	-49.0469807603	29.3809339077
4	0.288817140682	-0.0936263391161	-0.00356313823817	0.0230052633306	-0.0760335484124	0.123210061906	-0.00256921189904	0.0569902501436	-0.0988268511394	0.00304672671716	-0.00108093035574	0.00748480504021	-0.00554067862431	-0.00855992917696	-0.000134023405156	0.178547106053	-0.00016559175683	-0.00301624393912	0.181696270788	-0.0115541732859	0.185923110188	-5.44325768812	-57.5231196444	18.1554666554
5	0.0471338862633	0.0391446889939	-0.0770134975713	0.146626770819	0.0560602444192	0.22951258979	-0.0616875439629	0.155204561208	-0.552764224387	-0.06322285204	0.0310876675446	0.0752085509234	0.0883149062956	0.0274140712655	3.47595759216E-5	0.246906969364	0.00295340789771	0.00256572469378	0.258076407656	-0.0673573122629	0.456898624286	-15.207533186	-75.8472305758	14.032674455
6	0.16768045949	-0.0984666418657	0.148363159933	0.230756745429	0.202328469978	0.639388167592	-0.058343903871	-0.0350845530437	0.155358845994	0.0153783249583	0.0159908383214	0.0318390175787	-0.185442848934	-0.00270492379147	3.64643066025E-6	0.275683002475	-0.0153448017933	-0.0249297654328	0.164751632586	-0.000512750673981	0.264608405511	-9.24813042284	-8.13572102051	38.6714555245
7	0.0496073416823	0.0814321659076	-0.141154064236	0.218598199937	0.156475886286	0.209586825508	-0.0461690677544	-0.0367970578997	0.188848742903	0.0015461446134	-0.00397757517545	-0.0347789013919	-0.0846199273633	0.0403244942712	-7.26247636788E-5	0.263576531818	-0.0065174397545	-0.0277881583283	0.195624474442	-0.0390219879279	0.294272239281	-2.11549902139	-10.4153557488	44.364297274
8	0.113973212254	0.143044553887	0.0148683872925	0.0464613953085	0.120948020486	-0.0733740157247	-0.0157242961375	-0.0201082828552	0.0682945223226	-0.00308706448361	-0.000933494833628	0.00221576989479	-0.0448481246003	0.0500127178798	9.70763195348E-6	0.236598852802	-0.00684992484304	-0.00973723380695	0.170495473345	-0.0035307134616	0.212180887481	-6.03391202056	-25.7702527287	31.4731092978
9	0.282729745922	-0.0839736293638	0.0401537655273	0.169416916859	0.111550832684	0.0870423665205	0.0266818082378	0.0893621015646	0.0845560112829	-0.020319058024	-0.0225527685513	-0.0588643498965	-0.0681882524766	0.0695666050444	0.000834027810495	0.186074931058	-0.0172757847464	0.00400260504298	0.195293336018	0.0442991222024	0.177962838006	2.62728175849	-29.9874727432	15.8284460353
10	0.31530095755	-0.0665143462894	-0.170555821098	0.0816918568703	-0.0946747993344	0.147096649114	0.0360928991961	0.0617203551938	0.180374114432	0.00544200822961	0.0216559051741	0.0097638181638	-0.149296412694	0.154192961933	-2.96815907307E-5	0.275829320682	-0.0297673261079	0.0460242563722	0.318764174277	0.050867749897	0.283920305829	21.0841604783	-28.6589106701	5.40989091343
11	0.231867589605	-0.0171083344527	0.0653050872993	0.292371337424	0.243225756805	0.795109807517	-0.0476584067348	-0.0654900300702	-0.10759881373	0.0815345573567	0.0186546594912	0.0580447374387	0.10514776398	-0.0723988915272	3.94453787262E-6	0.211641532523	-0.00706440753327	0.029833548928	0.211374255031	0.0237946859121	0.270590800461	-30.4295736236	-60.9374633174	44.5386846922
12	0.440973777653	-0.12590907895	-0.137749443086	0.365873173794	-0.138764710092	0.203516437862	-0.077907867225	-0.093417363452	-0.0813412189057	0.0545733503525	0.0395343940698	0.146875358319	0.0618587653102	-0.0839903599882	-0.0015050718718	0.235104948058	0.00335624001874	0.0420866533984	0.225917440558	0.0222069266841	0.214770181681	-29.8171394225	-54.5098986929	51.3727596733
13	0.252338016864	-0.245162236213	-0.254950265463	0.0519505206113	0.164390005723	0.0623509113666	-0.0176493296458	-0.0266466533619	-0.0228386507348	-0.0200173799592	0.00317067786925	0.0181380935167	0.00297463475182	0.00940944673083	-4.35686349268E-6	0.217089353046	-0.013848231485	-0.00853375215992	0.209941551319	0.0104066075558	0.210966674864	-19.490966009	-48.2376944257	34.8629780141
14	0.264333170045	-0.0262658631554	-0.0642359891225	0.0385714943714	0.01406714111	0.261849542084	0.00729960542621	0.0534302036659	0.0561889663545	-0.00325222979603	-0.022634033606	0.053007496263	-0.0386165645051	-0.0480080534673	3.45780830552E-5	0.208042680057	0.019570792527	-0.0233767782995	0.218351900753	-0.00505201343869	0.212119160062	-24.8380301471	-36.4872036995	21.8208902899
15	0.0967901163744	-0.0523853112012	-0.0111433677011	0.197093811915	-0.0284989887074	0.0758237553194	0.0597571748933	0.22356802829	0.268986977501	-0.0920710760122	0.0481727443914	0.499917694095	-0.0766466141121	-0.197934469962	-3.95072038885E-5	0.267021813921	0.0585412239609	-0.00862638918698	0.272874159175	0.0367821651264	0.398659765045	-37.4656770262	-19.9611726194	17.4597123052
16	0.351658002346	-0.124353660981	-0.0245596527615	0.180595479773	0.0912487671682	0.744437607171	-0.0271974039939	-0.0320493511623	0.0947307017208	-0.0483254009762	-0.0212579439764	0.117309041519	0.00505479826517	-0.270225604206	-0.00109983160228	0.159067136968	0.0140743065803	-0.00037711745097	0.302278844402	-0.0323625594743	0.261871072973	-95.8473761686	-92.069475885	34.3813292083
17	0.481784166602	-0.0368373932335	0.232435488257	0.40302014181	-0.039100579262	0.174996496663	-0.0549544729032	-0.076180387695	0.245516413545	0.0150054837699	-0.0164515467564	0.179520766984	-0.0560976332083	-0.245501740974	0.0012754402406	0.181425243427	0.00910269677204	0.0349125121852	0.309100662829	-0.0764493149042	0.255432260935	-92.226686295	-89.0547803664	42.605348169
18	0.0783118929002	-0.128400310171	0.0994008300458	0.0758413365123	0.204640877416	-0.0186405827749	-0.0168453035535	0.0209688926426	0.0821607255796	0.0415049884048	-0.0169204526506	0.0051771252907	0.017016135503	-0.0367689395197	1.32868616761E-5	0.201804096695	-0.0132498859127	-0.0128651941672	0.243494555648	0.0169581072732	0.219783435877	-77.1780109604	-95.9451232872	30.5392324079
19	0.311315676874	0.048468997094	0.0544697333185	0.0730326052072	0.0583145801194	0.154512589354	-0.0261327138032	0.0771602869857	0.143681984654	-0.000840376881391	-0.0162533079266	-0.00250699781056	-0.0599294982188	0.0115360025328	-0.00113687507201	0.209222684098	-0.00423206064565	-0.016064145672	0.197908272475	0.0426765159271	0.207685692207	-65.6687549867	-86.2531122244	19.9626829162
20	0.131786109295	0.0887400638471	0.0862083587118	0.156739347299	0.11715204076	0.158018276782	-0.0191162172508	0.10509998445	0.274212193454	-0.0953359447976	-0.0273798990886	-0.0394677560606	-0.274772979591	-0.0225435485048	-0.0019092179123	0.319282139254	-0.0225271801312	-0.0201387891638	0.247603373366	0.0875955287104	0.400619224169	-56.1903284094	-67.4642108646	17.4556196931
21	0.235935748794	-0.0854014243195	-0.131255495606	0.247156843688	-0.0603788790441	0.574952298267	0.0873329175989	-0.024377198068	-0.16191543349	0.0553034670721	-0.0235218018705	-0.0892309123198	0.380794906148	0.0135881563325	0.00890982052478	0.428233470352	-0.0439891672464	-0.0794535348915	0.238205311788	0.0340713109396	0.315625589041	-60.6407136012	-137.375725281	35.6604349779
22	0.453342523012	-0.115711829314	0.257788111369	0.585156452221	0.078158944758	0.271072754863	0.0948179315762	-0.0198014052655	-0.275957085908	0.0556055125588	-0.0499637104739	-0.0318010086376	0.275787773144	-0.0740648062867	0.0600687933536	0.376380502942	-0.0825798731565	-0.0441478328546	0.215603197377	0.0840480267718	0.264236534649	-67.8907416332	-135.604140151	41.6508804435
23	0.283591140536	0.211000082504	-0.028910617397	0.131171268724	-0.00616483592252	0.0424553544479	0.0731768470168	-0.0403291455982	-0.0147744084706	0.0382972966607	-0.0310338531324	-0.0309998465632	0.0321939679145	-0.0151390859017	-9.73333747572E-6	0.236434484117	-0.0125729523972	-0.0145886517967	0.206778301657	0.00296189915148	0.18504356642	-64.4019744567	-119.114255288	30.1692812336
24	0.23852625858	0.0481301280324	0.060239274431	0.0770953925788	-0.104288041988	0.145203970246	0.025746830279	0.0892855030751	-0.038482489405	-0.0129250711981	-0.010696074098	0.0202447741355	0.0846376348368	-0.0521368222741	-0.000159751403653	0.226092436205	-0.0219963649265	-0.0129957266823	0.257550472755	-0.00910998666588	0.182653502679	-73.4051988806	-113.565768458	15.1685586674
25	0.231221575727	-0.129383098763	0.111565987772	0.0368608684838	0.0928014246272	0.109081905857	0.00759492537654	0.0494767929478	-0.161351090664	-0.12594336068	0.021352737269	0.165096753414	0.127983576415	-0.115456313898	-3.82556321737E-5	0.285664873365	-0.0384546327975	-0.0510436744805	0.381774623884	-0.00485863675194	0.296120989289	-92.047224919	-114.189672123	5.0418744599
26	0.251394835051	0.356868586524	0.172707487849	0.703610515931	-0.0580980517527	0.452784574822	0.0637678198212	0.0339942952388	0.0849030506494	0.236868843276	-0.0444411282365	-0.142191322859	-0.0426838072339	0.0536383035256	0.0110780787802	0.27645570361	-0.027000423169	-0.070250846182	0.193251532192	0.0102324684633	0.299035557026	-40.0532924257	-85.1408635216	46.1875684742
27	0.516195501707	0.298900049815	0.133173343634	0.888596757554	0.173282940969	0.126846940407	0.140777586885	0.0210230526266	0.0897187604477	0.320980944163	-0.118566725913	-0.435427666154	-0.0129442259227	0.0168080085154	-0.00484074803813	0.35765719709	-0.0495097401476	-0.164851339266	0.179538482891	0.00571124817189	0.221689877711	-40.4577600081	-92.1490758397	52.2842831863
28	0.252427207108	0.00891899737918	0.259953097101	0.1228014182	0.0850653526244	0.069652783678	0.0076025316075	0.0470528148268	0.00188436632754	0.079530370684	-0.0220621047129	-0.0684915438914	0.0235961969818	0.0331805404486	-6.21961329856E-6	0.24411697217	-0.0177551186844	-0.0292905336402	0.230165163275	0.0359678874424	0.238535877176	-51.169967122	-96.8741224475	35.4963200703
29	0.219368308128	0.123372707948	0.0418839988086	0.127267413483	0.00554000159132	0.354671837564	0.0127327956514	0.0966922164152	-0.0489389522618	0.0256252495973	-0.017906636416	-0.11974934114	0.0425253274941	0.0731659883355	0.00221075560077	0.184792452739	0.017507046711	-0.00183314227788	0.228034227022	0.0190639306431	0.203631459093	-45.9238827402	-107.252834779	21.2809764251
30	0.102462283255	0.0313790726393	-0.137854986314	0.144576501885	-0.0922077637068	0.121468594151	0.0793115677985	0.247913534656	-0.11667190559	-0.0312643499082	0.0156462002379	-0.311897216099	0.18223235559	0.284560571501	-4.578370733E-6	0.354731252683	0.111690938782	-0.00765866403042	0.431549287798	-0.0537422221093	0.479744519517	-33.178148968	-123.085478585	15.0849009495

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 25 through 120 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 121 through 236 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 237 through 309 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 310 through 528 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 28 through 91 )
6	X-RAY DIFFRACTION	6	chain 'C' and (resid 25 through 120 )
7	X-RAY DIFFRACTION	7	chain 'C' and (resid 121 through 236 )
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 237 through 309 )
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 310 through 528 )
10	X-RAY DIFFRACTION	10	chain 'D' and (resid 28 through 91 )
11	X-RAY DIFFRACTION	11	chain 'E' and (resid 25 through 120 )
12	X-RAY DIFFRACTION	12	chain 'E' and (resid 121 through 236 )
13	X-RAY DIFFRACTION	13	chain 'E' and (resid 237 through 309 )
14	X-RAY DIFFRACTION	14	chain 'E' and (resid 310 through 528 )
15	X-RAY DIFFRACTION	15	chain 'F' and (resid 28 through 91 )
16	X-RAY DIFFRACTION	16	chain 'G' and (resid 25 through 120 )
17	X-RAY DIFFRACTION	17	chain 'G' and (resid 121 through 236 )
18	X-RAY DIFFRACTION	18	chain 'G' and (resid 237 through 309 )
19	X-RAY DIFFRACTION	19	chain 'G' and (resid 310 through 528 )
20	X-RAY DIFFRACTION	20	chain 'H' and (resid 28 through 91 )
21	X-RAY DIFFRACTION	21	chain 'I' and (resid 25 through 120 )
22	X-RAY DIFFRACTION	22	chain 'I' and (resid 121 through 236 )
23	X-RAY DIFFRACTION	23	chain 'I' and (resid 237 through 309 )
24	X-RAY DIFFRACTION	24	chain 'I' and (resid 310 through 528 )
25	X-RAY DIFFRACTION	25	chain 'J' and (resid 28 through 91 )
26	X-RAY DIFFRACTION	26	chain 'K' and (resid 25 through 120 )
27	X-RAY DIFFRACTION	27	chain 'K' and (resid 121 through 236 )
28	X-RAY DIFFRACTION	28	chain 'K' and (resid 237 through 309 )
29	X-RAY DIFFRACTION	29	chain 'K' and (resid 310 through 528 )
30	X-RAY DIFFRACTION	30	chain 'L' and (resid 28 through 91 )

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