PDB-9enh: L-amino acid oxidase 4 (HcLAAO4) from the fungus Hebeloma cylindr...

ID or keywords:

Entry

Database: PDB / ID: 9enh

Title

L-amino acid oxidase 4 (HcLAAO4) from the fungus Hebeloma cylindrosporum

Components

L-amino acid oxidase 4

Keywords

OXIDOREDUCTASE / L-AMINO ACID OXIDASE / FAD / FLAVOPROTEIN

Function / homology

Function and homology information

L-arginine oxidase / L-glutamate oxidase / Oxidoreductases; Acting on the CH-NH2 group of donors; With oxygen as acceptor / L-lysine oxidase / L-amino-acid oxidase / L-amino-acid oxidase activity / amino acid catabolic process / extracellular region
Similarity search - Function

Biological species

Hebeloma cylindrosporum (fungus)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.3 Å

Authors

Gilzer, D. / Koopmeiners, S. / Fischer von Mollard, G. / Niemann, H.H.

Funding support

1items

Citation

Journal: Febs Lett. / Year: 2024
Title: Crystal structure and enzyme engineering of the broad substrate spectrum l-amino acid oxidase 4 from the fungus Hebeloma cylindrosporum.
Authors: Koopmeiners, S. / Gilzer, D. / Widmann, C. / Berelsmann, N. / Spross, J. / Niemann, H.H. / Fischer von Mollard, G.

History

Deposition	Mar 13, 2024	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Aug 14, 2024	Provider: repository / Type: Initial release
Revision 1.1	Aug 28, 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.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.identifier_ORCID
Revision 1.2	Oct 9, 2024	Group: Database references / Structure summary / Category: citation / citation_author / pdbx_entry_details Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID / _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/en/9enh ftp://data.pdbj.org/pub/pdb/validation_reports/en/9enh	HTTPS FTP

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Related structure data

Related structure data	9eniC 9enjC 9enkC 9ennC 9enl PDB Unreleased entry 9enm PDB Unreleased entry C: citing same article (ref.)
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Experimental dataset #1	Data reference: 10.15151/ESRF-DC-1562905467 / Data set type: diffraction image data
Experimental dataset #2	Data reference: 10.15785/SBGRID/1089 / Data set type: diffraction image data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#231 - Mar 2019 Measles Virus Proteins similarity (3)

Deposited unit

A: L-amino acid oxidase 4

B: L-amino acid oxidase 4

C: L-amino acid oxidase 4

D: L-amino acid oxidase 4

hetero molecules

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

1

A: L-amino acid oxidase 4

B: L-amino acid oxidase 4

hetero molecules

defined by author
Evidence: gel filtration
128 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: L-amino acid oxidase 4

D: L-amino acid oxidase 4

hetero molecules

defined by author
Evidence: gel filtration
127 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	156.636, 158.283, 217.592
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	20
Space group name H-M	C222₁
Space group name Hall	C2c2
Symmetry operation	#1: x,y,z #2: x,-y,-z #3: -x,y,-z+1/2 #4: -x,-y,z+1/2 #5: x+1/2,y+1/2,z #6: x+1/2,-y+1/2,-z #7: -x+1/2,y+1/2,-z+1/2 #8: -x+1/2,-y+1/2,z+1/2

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
d_1	ens_1	(chain "A" and (resid 66 through 90 or resid 92...
d_2	ens_1	(chain "B" and (resid 66 through 90 or resid 92...
d_3	ens_1	(chain "C" and (resid 66 through 90 or resid 92...
d_4	ens_1	(chain "D" and (resid 66 through 90 or resid 92...

NCS domain segments:

Ens-ID: ens_1

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
d_1	1	ARG	ARG	PHE	PHE	A	A	66 - 90	13 - 37
d_1	2	ILE	ILE	ALA	ALA	A	A	92 - 121	39 - 68
d_1	3	ARG	ARG	SER	SER	A	A	123 - 129	70 - 76
d_1	4	ASN	ASN	ILE	ILE	A	A	134 - 192	81 - 139
d_1	5	SER	SER	VAL	VAL	A	A	194 - 295	141 - 242
d_1	6	GLU	GLU	PHE	PHE	A	A	299 - 319	246 - 266
d_1	7	PHE	PHE	CYS	CYS	A	A	328 - 458	275 - 405
d_1	8	THR	THR	THR	THR	A	A	460 - 495	407 - 442
d_1	9	TYR	TYR	ASN	ASN	A	A	497 - 513	444 - 460
d_1	10	ASN	ASN	PHE	PHE	A	A	515 - 597	462 - 544
d_1	11	FAD	FAD	FAD	FAD	A	E	701
d_2	1	ARG	ARG	PHE	PHE	B	B	66 - 90	13 - 37
d_2	2	ILE	ILE	ALA	ALA	B	B	92 - 121	39 - 68
d_2	3	ARG	ARG	SER	SER	B	B	123 - 129	70 - 76
d_2	4	ASN	ASN	ILE	ILE	B	B	134 - 192	81 - 139
d_2	5	SER	SER	PHE	PHE	B	B	194 - 319	141 - 266
d_2	6	PHE	PHE	CYS	CYS	B	B	328 - 458	275 - 405
d_2	7	THR	THR	THR	THR	B	B	460 - 495	407 - 442
d_2	8	TYR	TYR	ASN	ASN	B	B	497 - 513	444 - 460
d_2	9	ASN	ASN	PHE	PHE	B	B	515 - 597	462 - 544
d_2	10	FAD	FAD	FAD	FAD	B	O	701
d_3	1	ARG	ARG	PHE	PHE	C	C	66 - 90	13 - 37
d_3	2	ILE	ILE	ALA	ALA	C	C	92 - 121	39 - 68
d_3	3	ARG	ARG	SER	SER	C	C	123 - 129	70 - 76
d_3	4	ASN	ASN	ILE	ILE	C	C	134 - 192	81 - 139
d_3	5	SER	SER	VAL	VAL	C	C	194 - 295	141 - 242
d_3	6	GLU	GLU	PHE	PHE	C	C	299 - 319	246 - 266
d_3	7	PHE	PHE	CYS	CYS	C	C	328 - 458	275 - 405
d_3	8	THR	THR	THR	THR	C	C	460 - 495	407 - 442
d_3	9	TYR	TYR	ASN	ASN	C	C	497 - 513	444 - 460
d_3	10	ASN	ASN	PHE	PHE	C	C	515 - 597	462 - 544
d_3	11	FAD	FAD	FAD	FAD	C	X	701
d_4	1	ARG	ARG	PHE	PHE	D	D	66 - 90	13 - 37
d_4	2	ILE	ILE	ALA	ALA	D	D	92 - 121	39 - 68
d_4	3	ARG	ARG	ILE	ILE	D	D	123 - 192	70 - 139
d_4	4	SER	SER	VAL	VAL	D	D	194 - 295	141 - 242
d_4	5	GLU	GLU	CYS	CYS	D	D	299 - 458	246 - 405
d_4	6	THR	THR	THR	THR	D	D	460 - 495	407 - 442
d_4	7	TYR	TYR	ASN	ASN	D	D	497 - 513	444 - 460
d_4	8	ASN	ASN	PHE	PHE	D	D	515 - 597	462 - 544
d_4	9	FAD	FAD	FAD	FAD	D	CA	701

NCS oper:

ID	Code	Matrix	Vector
1	given	(-0.957283646532, -0.00245981826045, 0.289140051492), (0.00473120017439, -0.999963195933, 0.00715699127672), (0.289111805064, 0.00821925016962, 0.957260052493)	92.31501108, 68.7320118265, -13.8300231849
2	given	(0.129631622903, -0.991533580281, -0.00753667825135), (0.99025998794, 0.129068216877, 0.0522163928029), (-0.0508015612821, -0.0142321666555, 0.99860735367)	61.7127440963, -0.125223917135, -53.1149151386
3	given	(-0.136215882641, 0.99001933743, 0.0361516919542), (-0.931141835567, -0.140404251439, 0.336543501251), (0.338260425372, 0.0121802172649, 0.940973712138)	6.39215641574, 99.635866148, -72.298594651

#1: Protein	L-amino acid oxidase 4 Mass: 62197.676 Da / Num. of mol.: 4 / Mutation: K474A, K475A Source method: isolated from a genetically manipulated source Details: residues 54 - 615 obtained by limited proteolysis; surface entropy reduction mutations K474A and K475A Source: (gene. exp.) Hebeloma cylindrosporum (fungus) / Plasmid: pET28b / Production host: Escherichia coli (E. coli) / Strain (production host): Arctic Express / References: UniProt: S4S6Z0, L-amino-acid oxidase
#2: Chemical	ChemComp-FAD / FLAVIN-ADENINE DINUCLEOTIDE Mass: 785.550 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂₇H₃₃N₉O₁₅P₂ / Feature type: SUBJECT OF INVESTIGATION / Comment: FAD*YM
#3: Chemical	... ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 24 / Source method: obtained synthetically / Formula: SO₄
#4: Chemical	ChemComp-PGO / S-1,2-PROPANEDIOL Mass: 76.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₃H₈O₂
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 120 / 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: 2.71 Å³/Da / Density % sol: 54.62 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: protein: 10 mg/ml; reservoir solution: 2.25 M (NH4)2SO4, 0.1 M sodium citrate, pH 6.5; drop with 200 nl protein + 100 nl reservoir

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 0.8856 Å
Detector	Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Jan 23, 2022
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.8856 Å / Relative weight: 1
Reflection	Resolution: 2.3→49.6 Å / Num. obs: 84158 / % possible obs: 70.5 % / Redundancy: 11.2 % / B_iso Wilson estimate: 42.72 Å² / CC_1/2: 0.997 / R_merge(I) obs: 0.109 / R_pim(I) all: 0.033 / R_rim(I) all: 0.114 / Net I/σ(I): 13.2
Reflection shell	Resolution: 2.3→2.44 Å / Redundancy: 5.8 % / R_merge(I) obs: 0.934 / Mean I/σ(I) obs: 1.8 / Num. unique obs: 4209 / CC_1/2: 0.41 / R_pim(I) all: 0.432 / R_rim(I) all: 1.039 / % possible all: 21.8

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Processing

Software

Name	Version	Classification
PHENIX	1.21_5207	refinement
XDS	VERSION Jun 30, 2023 BUILT=20230630	data reduction
STARANISO	2.4.9 (25-Oct-2023)	data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.3→49.56 Å / SU ML: 0.3069 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 30.6938
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2458	4216	5.01 %
R_work	0.2112	79931	-
obs	0.213	84147	70.53 %

Solvent computation

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

Displacement parameters

B_iso mean: 54.12 Å²

Refinement step

Cycle: LAST / Resolution: 2.3→49.56 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16740	0	337	120	17197

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0018	17642
X-RAY DIFFRACTION	f_angle_d	0.4731	24067
X-RAY DIFFRACTION	f_chiral_restr	0.0397	2519
X-RAY DIFFRACTION	f_plane_restr	0.0036	3056
X-RAY DIFFRACTION	f_dihedral_angle_d	10.0247	6341

Refine LS restraints NCS

Ens-ID	Dom-ID	Asym-ID	Auth asym-ID	Refine-ID	Type	Rms dev position (Å)
ens_1	d_2	A	A	X-RAY DIFFRACTION	Torsion NCS	0.410704516046
ens_1	d_3	A	A	X-RAY DIFFRACTION	Torsion NCS	0.472073881209
ens_1	d_4	A	A	X-RAY DIFFRACTION	Torsion NCS	0.572471652257

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 (%)
2.3-2.33	0.3557	9	0.271	303	X-RAY DIFFRACTION	7.9
2.33-2.35	0.3379	29	0.257	585	X-RAY DIFFRACTION	15.68
2.36-2.38	0.2444	47	0.2413	860	X-RAY DIFFRACTION	23.01
2.38-2.41	0.3383	61	0.2616	1093	X-RAY DIFFRACTION	29.3
2.41-2.45	0.285	81	0.2681	1292	X-RAY DIFFRACTION	34.92
2.45-2.48	0.3384	79	0.2492	1419	X-RAY DIFFRACTION	37.7
2.48-2.51	0.2952	78	0.263	1545	X-RAY DIFFRACTION	41.45
2.51-2.55	0.3196	95	0.2678	1589	X-RAY DIFFRACTION	42.7
2.55-2.59	0.3063	91	0.2714	1757	X-RAY DIFFRACTION	46.83
2.59-2.63	0.2901	100	0.2836	1941	X-RAY DIFFRACTION	51.8
2.63-2.68	0.3303	104	0.2763	2129	X-RAY DIFFRACTION	56.56
2.68-2.73	0.3182	122	0.2911	2311	X-RAY DIFFRACTION	61.33
2.73-2.78	0.3143	116	0.2935	2523	X-RAY DIFFRACTION	66.52
2.78-2.84	0.3608	142	0.3015	2655	X-RAY DIFFRACTION	71.26
2.84-2.9	0.3366	153	0.2993	2892	X-RAY DIFFRACTION	76.51
2.9-2.97	0.2838	160	0.2736	3001	X-RAY DIFFRACTION	80.82
2.97-3.04	0.2768	173	0.2726	3270	X-RAY DIFFRACTION	86.64
3.04-3.12	0.2893	188	0.2639	3402	X-RAY DIFFRACTION	90.29
3.12-3.22	0.3067	182	0.2521	3537	X-RAY DIFFRACTION	93.54
3.22-3.32	0.3105	196	0.255	3652	X-RAY DIFFRACTION	97.32
3.32-3.44	0.2962	198	0.2523	3758	X-RAY DIFFRACTION	98.83
3.44-3.58	0.2666	197	0.2381	3756	X-RAY DIFFRACTION	99.45
3.58-3.74	0.2515	199	0.2119	3770	X-RAY DIFFRACTION	99.77
3.74-3.93	0.2351	200	0.1951	3779	X-RAY DIFFRACTION	99.92
3.93-4.18	0.2356	198	0.178	3787	X-RAY DIFFRACTION	99.9
4.18-4.5	0.2037	201	0.163	3815	X-RAY DIFFRACTION	99.98
4.5-4.96	0.1965	201	0.1544	3807	X-RAY DIFFRACTION	99.9
4.96-5.67	0.1899	202	0.1727	3843	X-RAY DIFFRACTION	100
5.67-7.14	0.2071	203	0.1892	3864	X-RAY DIFFRACTION	100
7.14-49.56	0.198	211	0.1773	3996	X-RAY DIFFRACTION	99.81

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	0.998410847197	0.150222417991	-0.554371342654	0.0332348360216	0.000918638363165	0.978778525306	-0.0556374162303	-0.245172734256	-0.284938738931	0.0115203982588	-0.0166855371666	-0.408557248276	0.241578903909	0.316893948562	-0.123144590505	0.501488468922	0.0122415712618	-0.202289883436	0.249639035968	0.0741511865103	0.408775986537	36.1688159419	1.29458101845	-34.8486659946
2	0.0176103982576	-0.0107280555044	0.0539866271209	0.0150483805218	-0.0421283701881	0.130289654925	-0.0929115885077	0.126311547468	0.133823289764	-0.336159382598	-0.0230006948904	0.213811156413	-0.245305012049	-0.228090021937	-1.59403354257	0.68654626557	0.0841563856379	-0.435592011177	0.237360369876	0.0334188635281	0.280374129383	21.8186255391	26.786939925	-47.9438629401
3	0.0774268549475	0.0270408691535	-0.236093128398	0.0743163364081	-0.144839685354	0.78002146322	0.015954359827	0.172474998764	0.000837186850855	-0.0466865332685	-0.018170599555	0.022226949006	0.029152491023	-0.11750896574	-0.905491573123	0.627156508692	0.0393673547464	-0.304481176755	0.294458785775	0.00809273450577	0.33476764506	22.7714683442	25.3280066915	-48.4560369784
4	1.54881398322	8.22485603417E-5	-1.25867227075	0.129294748784	0.022124760221	1.12312882963	-0.0630586784881	-0.070338184807	-0.47675610554	-0.0664851427997	-0.150637898952	-0.0539515109056	0.291351660057	0.015326908611	-0.312217096516	0.507961521113	0.0173300052401	-0.172537288625	0.255468738558	0.0320962347021	0.375861543124	39.6537325763	5.21383468581	-32.288905991
5	0.1701435852	0.192505452128	0.139314583371	0.585695213847	-0.230640083288	0.548305765221	0.00178162130551	-0.0363333166282	-0.0260541948061	-0.199776662865	-0.0237894659577	0.138090884419	-0.0209988867355	-0.0615303503632	0.0145784827791	0.479456459677	0.0700952362776	-0.186602886798	0.220492870025	-0.0103051303417	0.287512460343	31.1954555684	23.9327957513	-38.7044036208
6	0.245122231354	-0.0713642869831	-0.0269558795388	0.48147013121	-0.0747496736163	0.261474227142	-0.0278958140645	0.0651629090264	0.0485107359417	-0.31907006776	-0.0122179038945	-0.0877679587083	-0.193105861927	0.207506598592	0.0356182067689	0.637824039268	-0.00848297864354	-0.0885445264387	0.26519763239	0.0544705852544	0.29327902378	56.630125344	43.9768807119	-51.8254218625
7	0.335224611088	-0.425724356106	0.490655856501	0.703591330924	-0.36303353895	1.1438514067	0.000233750765639	0.169215014884	0.137455300993	-0.417075920649	-0.119947577478	-0.165700407277	-0.169327457936	0.277716500323	0.0241929526354	0.786855603163	-0.0436794631375	-0.0712966167896	0.281451401491	0.0208431788237	0.290902605851	55.9764240584	42.7777391743	-52.8886930752
8	0.980860189991	-0.47519465098	0.188345502353	0.375875317559	-0.27989606186	0.283638048421	-0.0583047695154	-0.073373559478	0.502851799713	0.153606119146	-0.0697322961505	-0.135024804978	-0.211717706344	0.0542088832247	-0.0222178067915	0.628667004883	0.00984832910972	-0.141985913201	0.202084307868	-0.0476911391281	0.381970666414	45.2542091993	63.6033172228	-32.960220327
9	0.388720889036	0.234598801333	0.0259079064398	0.299987834237	-0.197497655934	0.292525915877	0.123672265607	0.100861958791	0.0441184154383	-0.176209674878	-0.150953750737	0.141697003928	-0.164253382997	-0.00410204791949	-0.0139707735978	0.507956028946	0.0526091857923	-0.141837945729	0.151658758773	-0.00248555216907	0.241938129817	47.9608963717	45.657356648	-38.9823455672
10	0.00839461050721	0.0205674967962	0.00119034688882	0.0528242052642	0.0074628310328	0.112095938739	-0.00817697222431	0.0375129580613	0.0717014344419	-0.133101052213	0.053606867053	0.00136800323322	-0.246811999745	0.0547210983486	0.927539244527	0.609344344522	0.104823478397	-0.346831417602	0.0169944947003	0.176369052748	0.027469876262	52.4872112381	44.2186962333	-42.7588813977
11	0.579894290037	0.10551703293	0.956691182111	0.0809298057918	0.33941038576	2.04263180908	0.118482361142	-0.020195885925	-0.15170717794	0.214815827778	0.0437156579643	-0.114009843268	1.0640285784	0.0963395947631	0.366000633997	0.452206872892	0.0463809308067	-0.00788979037276	0.399911485745	-0.0462060568328	0.332987036568	40.5240699536	23.3807783599	-101.559890303
12	0.327167044024	-0.0585929807775	0.508888068634	0.463289526705	0.195860803239	2.92600003499	0.120461303075	0.0159389629456	-0.135300832267	0.394429389275	0.0196609625195	-0.220721896161	0.985732703558	0.134590145082	0.0944077119268	0.461047758583	-0.0144892925242	-0.0418008135572	0.272905828264	-0.0049106715418	0.317924306645	39.9349560229	22.9847153833	-103.05378502
13	0.124475338576	0.00790524485238	0.0600216106721	0.653354890178	0.245103795448	0.116497535447	-0.0829135585596	0.19518615979	0.180670967112	-0.00138639705281	0.190230620787	-0.374142229177	0.10065397236	0.376386071793	0.420183895763	0.205535294774	0.0461419896313	-0.0974189945085	0.637954018865	-0.104170946538	0.443374924934	61.838577163	38.2786692569	-87.5331290977
14	0.288717802279	-0.0192577310754	0.367654194686	0.274463549471	0.354364787782	0.96789663965	0.170683951995	0.0159075399338	0.143242261963	0.194058611746	-0.00833064114938	-0.0396386639828	0.535761844186	-0.0966449449046	2.04307079658	-0.0581328487147	-0.171371498112	0.127364437337	0.507395314481	-0.0219015846898	0.222080208571	42.1028239369	32.0755884435	-93.5160039836
15	0.602565576737	-0.160386603767	-0.15098650896	0.646875330074	0.351951335363	0.222676106856	-0.288833640901	-0.136893909516	0.272336390397	-0.402943835929	-0.201568819964	0.0934518943515	-0.821752535171	-0.650835504677	-2.50844702914	0.593242995002	0.262035645888	-0.239799318527	0.790927534697	-0.187236888578	0.531327221916	26.4126270526	58.6478128219	-108.482853484
16	0.843800824274	-0.158769139301	0.460024647609	0.0754605003009	0.104654912859	0.968379759574	-0.133693158307	-0.211715308576	0.25222082894	-0.0632534397494	-0.288722593459	0.20728883226	-0.524843761458	-0.869803805718	-1.9332968055	0.323988223587	0.0982344784051	-0.0820862638182	0.743008156061	-0.246666532197	0.453900520533	26.2997750581	53.8460695699	-96.6813516892
17	0.137257083579	-0.139118075604	0.0507579680051	0.157757791704	-0.0136821069692	0.104286624911	0.000437755308467	-0.0395927111615	-0.01024636497	-0.0396492724714	-0.0694025207083	0.119082989006	-0.0136656193281	-0.134747343683	-0.308323593918	0.356237862962	0.358748346964	-0.220374410767	0.970734040612	-0.415544219252	0.560910411336	5.63570466363	54.6891356868	-106.455958128

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 57 through 86 )	A	A	57 - 86	1 - 30
2	2	chain 'A' and (resid 87 through 272 )	A	A	87 - 272	31 - 216
3	3	chain 'A' and (resid 273 through 308 )	A	A	273 - 308	217 - 252
4	4	chain 'A' and (resid 309 through 348 )	A	A	309 - 348	253 - 292
5	5	chain 'A' and (resid 349 through 600 )	A	A	349 - 600	293 - 544
6	6	chain 'B' and (resid 65 through 272 )	B	C	65 - 272	1 - 208
7	7	chain 'B' and (resid 273 through 308 )	B	C	273 - 308	209 - 241
8	8	chain 'B' and (resid 309 through 348 )	B	C	309 - 348	242 - 281
9	9	chain 'B' and (resid 349 through 426 )	B	C	349 - 426	282 - 359
10	10	chain 'B' and (resid 427 through 599 )	B	C	427 - 599	360 - 532
11	11	chain 'C' and (resid 65 through 272 )	C	E	65 - 272	1 - 208
12	12	chain 'C' and (resid 273 through 308 )	C	E	273 - 308	209 - 244
13	13	chain 'C' and (resid 309 through 348 )	C	E	309 - 348	245 - 282
14	14	chain 'C' and (resid 349 through 597 )	C	E	349 - 597	283 - 531
15	15	chain 'D' and (resid 66 through 272 )	D	G	66 - 272	1 - 203
16	16	chain 'D' and (resid 273 through 548 )	D	G	273 - 548	204 - 471
17	17	chain 'D' and (resid 549 through 597 )	D	G	549 - 597	472 - 520

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