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

ID or keywords:

Entry

Database: PDB / ID: 9enk

Title

L-amino acid oxidase 4 (HcLAAO4) from the fungus Hebeloma cylindrosporum in complex with L-phenylalanine

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 /

FOURIER SYNTHESIS / Resolution: 2.2 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/9enk ftp://data.pdbj.org/pub/pdb/validation_reports/en/9enk	HTTPS FTP

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Related structure data

Related structure data	9enhC 9eniC 9enjC 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-1562905491 / Data set type: diffraction image data
Experimental dataset #2	Data reference: 10.15785/SBGRID/1092 / 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 (4) #253 - Jan 2021 Expressome similarity (1) #81 - Sep 2006 Elongation Factors similarity (1)

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

257 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
129 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
129 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	84.700, 131.730, 107.460
Angle α, β, γ (deg.)	90.000, 96.040, 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

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
d_1	ens_1	(chain "A" and (resid 65 through 83 or resid 85...
d_2	ens_1	(chain "B" and (resid 65 through 83 or resid 85...
d_3	ens_1	(chain "C" and (resid 65 through 83 or resid 85...
d_4	ens_1	(chain "D" and (resid 65 through 83 or resid 85...

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	GLU	GLU	LEU	LEU	A	A	65 - 83	12 - 30
d_1	2	SER	SER	GLY	GLY	A	A	85 - 144	32 - 91
d_1	3	LEU	LEU	VAL	VAL	A	A	146 - 205	93 - 152
d_1	4	ASP	ASP	LEU	LEU	A	A	207 - 216	154 - 163
d_1	5	ASP	ASP	PRO	PRO	A	A	218 - 249	165 - 196
d_1	6	PRO	PRO	SER	SER	A	A	251 - 257	198 - 204
d_1	7	HIS	HIS	LYS	LYS	A	A	259 - 322	206 - 269
d_1	8	ALA	ALA	ALA	ALA	A	A	327 - 332	274 - 279
d_1	9	VAL	VAL	GLY	GLY	A	A	334 - 418	281 - 365
d_1	10	LYS	LYS	ALA	ALA	A	A	420 - 475	367 - 422
d_1	11	TYR	TYR	TYR	TYR	A	A	477	424
d_1	12	GLN	GLN	VAL	VAL	A	A	480 - 505	427 - 452
d_1	13	VAL	VAL	ASN	ASN	A	A	507 - 513	454 - 460
d_1	14	ASN	ASN	PHE	PHE	A	A	515 - 530	462 - 477
d_1	15	ASP	ASP	TYR	TYR	A	A	532 - 572	479 - 519
d_1	16	TYR	TYR	GLU	GLU	A	A	574 - 598	521 - 545
d_1	18	PHE	PHE	PHE	PHE	A	F	702
d_2	1	GLU	GLU	LEU	LEU	B	B	65 - 83	12 - 30
d_2	2	SER	SER	GLY	GLY	B	B	85 - 144	32 - 91
d_2	3	LEU	LEU	VAL	VAL	B	B	146 - 205	93 - 152
d_2	4	ASP	ASP	LEU	LEU	B	B	207 - 216	154 - 163
d_2	5	ASP	ASP	PRO	PRO	B	B	218 - 249	165 - 196
d_2	6	PRO	PRO	SER	SER	B	B	251 - 257	198 - 204
d_2	7	HIS	HIS	LYS	LYS	B	B	259 - 322	206 - 269
d_2	8	ALA	ALA	ALA	ALA	B	B	327 - 332	274 - 279
d_2	9	VAL	VAL	GLY	GLY	B	B	334 - 418	281 - 365
d_2	10	LYS	LYS	ALA	ALA	B	B	420 - 475	367 - 422
d_2	11	TYR	TYR	TYR	TYR	B	B	477	424
d_2	12	GLN	GLN	VAL	VAL	B	B	480 - 505	427 - 452
d_2	13	VAL	VAL	ASN	ASN	B	B	507 - 513	454 - 460
d_2	14	ASN	ASN	PHE	PHE	B	B	515 - 530	462 - 477
d_2	15	ASP	ASP	TYR	TYR	B	B	532 - 572	479 - 519
d_2	16	TYR	TYR	GLU	GLU	B	B	574 - 598	521 - 545
d_2	18	PHE	PHE	PHE	PHE	B	R	702
d_3	1	GLU	GLU	LEU	LEU	C	C	65 - 83	12 - 30
d_3	2	SER	SER	GLY	GLY	C	C	85 - 144	32 - 91
d_3	3	LEU	LEU	VAL	VAL	C	C	146 - 205	93 - 152
d_3	4	ASP	ASP	LEU	LEU	C	C	207 - 216	154 - 163
d_3	5	ASP	ASP	PRO	PRO	C	C	218 - 249	165 - 196
d_3	6	PRO	PRO	SER	SER	C	C	251 - 257	198 - 204
d_3	7	HIS	HIS	LYS	LYS	C	C	259 - 322	206 - 269
d_3	8	ALA	ALA	ALA	ALA	C	C	327 - 332	274 - 279
d_3	9	VAL	VAL	GLY	GLY	C	C	334 - 418	281 - 365
d_3	10	LYS	LYS	ALA	ALA	C	C	420 - 475	367 - 422
d_3	11	TYR	TYR	TYR	TYR	C	C	477	424
d_3	12	GLN	GLN	VAL	VAL	C	C	480 - 505	427 - 452
d_3	13	VAL	VAL	ASN	ASN	C	C	507 - 513	454 - 460
d_3	14	ASN	ASN	PHE	PHE	C	C	515 - 530	462 - 477
d_3	15	ASP	ASP	TYR	TYR	C	C	532 - 572	479 - 519
d_3	16	TYR	TYR	GLU	GLU	C	C	574 - 598	521 - 545
d_3	18	PHE	PHE	PHE	PHE	C	IA	702
d_4	1	GLU	GLU	LEU	LEU	D	D	65 - 83	12 - 30
d_4	2	SER	SER	GLY	GLY	D	D	85 - 144	32 - 91
d_4	3	LEU	LEU	VAL	VAL	D	D	146 - 205	93 - 152
d_4	4	ASP	ASP	LEU	LEU	D	D	207 - 216	154 - 163
d_4	5	ASP	ASP	PRO	PRO	D	D	218 - 249	165 - 196
d_4	6	PRO	PRO	SER	SER	D	D	251 - 257	198 - 204
d_4	7	HIS	HIS	VAL	VAL	D	D	259 - 295	206 - 242
d_4	8	GLU	GLU	LYS	LYS	D	D	299 - 322	246 - 269
d_4	9	ALA	ALA	ALA	ALA	D	D	327 - 332	274 - 279
d_4	10	VAL	VAL	GLY	GLY	D	D	334 - 418	281 - 365
d_4	11	LYS	LYS	ALA	ALA	D	D	420 - 475	367 - 422
d_4	12	TYR	TYR	TYR	TYR	D	D	477	424
d_4	13	GLN	GLN	VAL	VAL	D	D	480 - 505	427 - 452
d_4	14	VAL	VAL	ASN	ASN	D	D	507 - 513	454 - 460
d_4	15	ASN	ASN	PHE	PHE	D	D	515 - 530	462 - 477
d_4	16	ASP	ASP	TYR	TYR	D	D	532 - 572	479 - 519
d_4	17	TYR	TYR	GLU	GLU	D	D	574 - 598	521 - 545
d_4	19	PHE	PHE	PHE	PHE	D	VA	702

NCS oper:

ID	Code	Matrix	Vector
1	given	(-0.999953773498, 0.00486332801301, -0.00829451066741), (-0.00547132482879, -0.997173966011, 0.0749276058291), (-0.00790667257396, 0.0749695241502, 0.997154478994)	40.2221716614, -10.0382189623, 0.560314451143
2	given	(0.41765708623, -0.908529150142, -0.011719285959), (0.908558219819, 0.417731471318, -0.00473065207127), (0.00919344987239, -0.00867186322843, 0.999920136445)	-1.15650034516, -20.9827898866, 51.794593634
3	given	(-0.415115472393, 0.90551237194, -0.0879004484853), (-0.909654946041, -0.41464973141, 0.0243614323159), (-0.0143883189951, 0.0900718852079, 0.995831326968)	24.9579350489, 11.0458423998, 52.7726720615

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Protein , 1 types, 4 molecules ABCD

#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

#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

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Non-polymers , 5 types, 1038 molecules

#2: Chemical	ChemComp-FDA / DIHYDROFLAVINE-ADENINE DINUCLEOTIDE Mass: 787.566 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂₇H₃₅N₉O₁₅P₂ / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-PHE / PHENYLALANINE Type: L-peptide linking / Mass: 165.189 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₉H₁₁NO₂ / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	... ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 41 / Source method: obtained synthetically / Formula: SO₄
#5: Chemical	ChemComp-PGR / R-1,2-PROPANEDIOL Mass: 76.094 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: C₃H₈O₂
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 980 / Source method: isolated from a natural source / Formula: H₂O

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Details

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: 2.4 Å³/Da / Density % sol: 48.67 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.4 Details: protein: 10 mg/ml; reservoir solution: 2.2 M (NH4)2SO4, 0.1 M sodium citrate, pH 6.4; drop with 500 nl protein + 500 nl reservoir

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: MASSIF-3 / Wavelength: 0.9677 Å
Detector	Type: DECTRIS EIGER X 4M / Detector: PIXEL / Date: Feb 22, 2022
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9677 Å / Relative weight: 1
Reflection	Resolution: 2.2→50 Å / Num. obs: 117122 / % possible obs: 98.6 % / Redundancy: 7.15 % / B_iso Wilson estimate: 42.56 Å² / CC_1/2: 0.999 / R_rim(I) all: 0.069 / Net I/σ(I): 19.43
Reflection shell	Resolution: 2.2→2.26 Å / Redundancy: 7.34 % / Mean I/σ(I) obs: 2.27 / Num. unique obs: 8699 / CC_1/2: 0.725 / R_rim(I) all: 1.216 / % possible all: 99.5

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Processing

Software

Name	Version	Classification
PHENIX	1.21_5207	refinement
XDS	VERSION Jun 30, 2023 BUILT=20230630	data reduction
XSCALE	VERSION Jun 30, 2023 BUILT=20230630	data scaling
PHENIX		phasing

Refinement

Method to determine structure:

FOURIER SYNTHESIS / Resolution: 2.2→40.67 Å / SU ML: 0.2883 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 21.2451
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2016	5857	5 %
R_work	0.1702	111241	-
obs	0.1718	117098	98.64 %

Solvent computation

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

Displacement parameters

B_iso mean: 47.59 Å²

Refinement step

Cycle: LAST / Resolution: 2.2→40.67 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16765	0	510	980	18255

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0046	17943
X-RAY DIFFRACTION	f_angle_d	0.5951	24494
X-RAY DIFFRACTION	f_chiral_restr	0.0438	2566
X-RAY DIFFRACTION	f_plane_restr	0.005	3118
X-RAY DIFFRACTION	f_dihedral_angle_d	11.6407	6451

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	0.462005735163
ens_1	d_3	A	A	X-RAY DIFFRACTION	Torsion NCS	0.435228082849
ens_1	d_4	A	A	X-RAY DIFFRACTION	Torsion NCS	0.505728348115

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 (%)
2.2-2.23	0.3998	198	0.3546	3761	X-RAY DIFFRACTION	99.85
2.23-2.25	0.3668	194	0.3013	3689	X-RAY DIFFRACTION	99.16
2.25-2.28	0.2982	197	0.2625	3737	X-RAY DIFFRACTION	99.57
2.28-2.31	0.2498	197	0.2362	3752	X-RAY DIFFRACTION	99.37
2.31-2.34	0.2769	194	0.2319	3680	X-RAY DIFFRACTION	99.26
2.34-2.37	0.2941	197	0.2362	3735	X-RAY DIFFRACTION	99.67
2.37-2.4	0.2871	197	0.2472	3738	X-RAY DIFFRACTION	99.32
2.4-2.44	0.3178	197	0.2534	3742	X-RAY DIFFRACTION	99.55
2.44-2.48	0.2499	196	0.2329	3707	X-RAY DIFFRACTION	99.44
2.48-2.52	0.2681	194	0.2068	3699	X-RAY DIFFRACTION	99.31
2.52-2.56	0.2447	199	0.1855	3767	X-RAY DIFFRACTION	99.37
2.56-2.61	0.2213	195	0.179	3718	X-RAY DIFFRACTION	99.69
2.61-2.66	0.2427	196	0.1739	3730	X-RAY DIFFRACTION	99.44
2.66-2.71	0.2096	196	0.1718	3729	X-RAY DIFFRACTION	99.39
2.71-2.77	0.2184	195	0.1782	3694	X-RAY DIFFRACTION	99.21
2.77-2.84	0.243	194	0.1945	3724	X-RAY DIFFRACTION	98.84
2.84-2.91	0.2362	196	0.2078	3723	X-RAY DIFFRACTION	98.59
2.91-2.99	0.2261	195	0.1947	3663	X-RAY DIFFRACTION	98.42
2.99-3.07	0.2216	193	0.1873	3680	X-RAY DIFFRACTION	97.38
3.07-3.17	0.1968	168	0.1813	3209	X-RAY DIFFRACTION	85.95
3.17-3.29	0.2127	176	0.1809	3359	X-RAY DIFFRACTION	88.93
3.29-3.42	0.1951	200	0.1713	3764	X-RAY DIFFRACTION	99.9
3.42-3.57	0.1781	197	0.1606	3745	X-RAY DIFFRACTION	100
3.57-3.76	0.1754	198	0.1569	3760	X-RAY DIFFRACTION	100
3.76-4	0.1654	199	0.1331	3781	X-RAY DIFFRACTION	100
4-4.3	0.1577	198	0.1243	3756	X-RAY DIFFRACTION	100
4.31-4.74	0.1403	199	0.1208	3785	X-RAY DIFFRACTION	100
4.74-5.42	0.1698	199	0.1289	3792	X-RAY DIFFRACTION	100
5.42-6.83	0.1817	201	0.1558	3804	X-RAY DIFFRACTION	100
6.83-40.67	0.1863	202	0.1742	3818	X-RAY DIFFRACTION	99.43

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	0.647782755604	0.0576192419767	-0.0485224055822	0.597694977991	0.0292862572038	0.706806519527	0.045709860976	-0.0183558303639	-0.0272797189442	-0.0617731039876	-0.068978787887	-0.0845466499101	0.0117845469384	0.163704763382	-5.91799499458E-5	0.405801965707	0.0289414463771	0.0176804474916	0.500151709774	0.0275771432078	0.4228450433	39.3485109777	-5.10241677902	32.3780637284
2	0.112604522497	0.0500204065276	0.160863967026	0.26769124266	0.0928685726926	0.274517299324	0.119282321511	-0.0980256802923	-0.146828338952	0.0520829484471	-0.0850407305752	-0.169690271081	0.18335856203	0.112333660033	-0.000154354859561	0.436835243589	-0.00571487527192	-0.0222766871104	0.507710038755	0.0133158484064	0.492674739742	37.9555725793	-6.51223265777	31.4845896369
3	0.53499585399	0.0179279116657	-0.104484112092	0.35962832778	0.427770180639	0.537649981206	0.0087175073775	-0.132685222502	0.41895312978	0.183720343216	-0.132069235075	-0.20048923131	-0.17590021625	0.133470718589	-0.00101905623174	0.464931102299	-0.0948402684895	0.000144895164321	0.538820726727	-0.0222494876177	0.52799122428	38.7783807113	18.8039546845	48.4739749415
4	0.683513621334	0.0442061352832	-0.0524321173904	1.07138776932	-0.104815880441	0.607179447448	0.0504606780056	-0.0968408843676	0.000987081255601	0.0203958776343	-0.0512203440809	-0.0350880772576	-0.0438497342848	0.0926923500349	-2.09101969302E-5	0.383358104628	-0.0136004730062	-0.00851810904854	0.477833879886	0.00119445720465	0.403559756098	33.8870089587	-0.846558945982	41.7409459258
5	1.23026541188	-0.0342008178436	0.0186483944395	0.998275097151	0.0494335828181	0.835614220847	-0.0157377453048	0.003354207227	-0.0195774030194	0.0425707068597	-0.00417314140382	0.134768425915	-0.0178950076564	-0.185275629976	-1.57524481225E-5	0.385721913791	-0.0371031443635	-0.0170045349822	0.492869254598	-0.0164933245638	0.432231173407	-6.5217416077	-11.5590257545	44.9897926822
6	0.289375145109	-0.0771262658871	-0.177631480101	0.788282143726	-0.259193240552	0.64311006618	0.0704993880679	0.159566765777	0.0826610710698	-0.160721335571	-0.0651066380935	0.120141546805	-0.0989028001985	-0.138918224893	-0.000114418623928	0.467542711261	0.0502999677939	-0.0472539102334	0.520528539672	0.00570102173929	0.470447140189	6.78400809908	4.36557702503	22.419098765
7	1.37485595256	-0.415794820129	-0.119127242952	0.808289040352	0.50854900333	0.399919530189	0.0743439247659	0.0233195955223	0.0140348101692	-0.0295070383783	-0.00645221819716	0.169127169139	0.185892606289	-0.247952258975	0.0091843092379	0.356593835402	-0.0287242944535	-0.00590315505129	0.481269575238	-0.0369000659247	0.425041918652	-7.95109156394	-7.30078377945	43.7505657443
8	0.490520717347	0.292309268175	0.260771268596	0.549099538845	-0.2444781586	0.562855077779	0.055188464207	-0.248717342075	-0.355096512991	0.186588514579	-0.0435185451741	-0.0153699954179	0.400700313991	-0.0258505636524	-1.10452331234E-5	0.479265316298	-0.0323334325813	-0.0314269356008	0.414698605769	0.0381751291807	0.541629753188	8.44749657309	-31.9829119109	49.8977873207
9	0.288797755113	0.0982527246741	-0.07229579079	0.102864400977	0.106007395244	0.261563494042	0.0762313943904	-0.152789583589	-0.202343078871	0.0637656204749	-0.0919551289018	-0.0867921656258	0.102998977037	0.0583594009839	1.443218972E-5	0.478491820269	-0.00664276593489	-0.0216384279049	0.434063396036	0.0161618892567	0.490671729	14.422047634	-24.6824485231	39.1813818578
10	0.661758912141	0.224300677827	-0.148378203866	0.734635855953	0.110055840537	0.857006858504	0.0578156412383	-0.0360462829644	0.0553287300113	0.00323518403778	-0.0289457565539	0.0700759747656	-0.0619131955362	-0.0640899313296	1.00376538334E-6	0.390497807026	-0.000999029353322	-0.0223228989093	0.458168301484	-0.00139162238648	0.431774063745	4.63423750562	-2.01919110333	41.6177017274
11	0.73813144763	-0.397134368423	0.162736732032	1.57719624808	-0.168055109679	1.0530097967	-0.101613723554	0.164094240575	0.129791532867	-0.0421970078789	-0.0189900214132	-0.28625214348	-0.227962887169	0.224709655705	0.000165841193326	0.479179455305	-0.0504118923873	0.00467438828338	0.528079761692	0.0724978404589	0.495411569409	19.97711835	12.1344478702	84.6281804071
12	0.0191220240819	0.00798880004044	0.0369417757308	0.126221178285	0.055682100773	0.165279938642	-0.024139344934	0.115297068055	0.0258755906296	0.188796098854	0.0431186622655	-0.303551826459	-0.148746355007	0.459398215425	0.000173045532966	0.508483060653	-0.0315434075384	-0.0205707421715	0.504613114458	0.0393257575333	0.473269516582	20.2474066185	10.8236742895	83.676889455
13	0.471802998631	-0.165514734311	-0.463167222736	0.269261959291	0.0235341873245	0.544341368021	-0.155452796084	-0.160360270037	0.317934194716	0.492135779101	0.00629490062702	0.274765117427	-0.396700220489	-0.232047255612	-0.0058810485756	0.671998992014	0.108076565526	0.0219434579692	0.451720127256	0.0404289519266	0.551461595206	-3.00006012044	21.0847703668	100.148934678
14	0.187501329231	-0.0809669158349	0.116811537194	0.288627850186	-0.175906159037	0.236050856901	-0.0663303592792	0.0635047068652	-0.0599913696308	0.0886088828311	-0.0553733991502	0.421720571161	-0.183998333536	-0.293514122887	2.90736365385E-5	0.533649874842	0.102476675675	0.0476183681831	0.529913652678	0.0167673521978	0.538457820985	-8.17039974322	11.4019981781	92.882157913
15	0.741415335533	-0.161326778924	-0.105065397424	1.21879574507	-0.0408952053247	0.867104594566	-0.0795905365977	0.047782730154	0.0745950377483	0.218500619342	-0.0165705020663	-0.24378423763	-0.135746425925	0.170721062219	-0.000191194506504	0.492395168634	0.00221714062582	-0.0313150190152	0.47590750073	0.0219238433066	0.438736299009	21.2782148469	3.92610741872	96.5933955988
16	0.183871992258	-0.130488002321	0.190509598719	0.353634305203	0.040204663771	0.315651756027	-0.0749646542463	0.0664648552623	0.18763979006	0.104683187817	-3.1530170549E-5	-0.0415558762588	-0.16877027999	-0.0419791663924	-0.00162200122657	0.62189658465	0.0493199306043	-0.0476367367784	0.517936654047	0.0560006999832	0.566796897401	2.97409410947	28.6240963265	83.6544247203
17	0.524199749373	-0.307220028124	0.10338593062	1.14377215122	-0.125097546148	1.08711823561	-0.0359033099817	0.0795991894588	-0.152999187229	0.0126442921064	0.0259012579001	0.279258496199	0.231396095142	-0.113939141684	4.58173724288E-5	0.487113322141	-0.0261022274117	0.0496537991115	0.480872200419	-0.0549415009929	0.52680688409	0.689274744892	-21.5887095099	83.961781049
18	0.407428456916	-0.230695541204	-0.0964887964524	0.168328831266	-0.0368897467333	0.24009881791	-0.0196169923439	0.0549109283621	-0.164779566794	-0.0499195946527	2.43736153537E-6	0.408695119811	0.217660475485	-0.283127117532	0.000672906874279	0.553521145293	-0.0282343200071	-0.00414800009782	0.536471399291	-0.0522449394607	0.548550349818	0.524660207061	-20.2413116679	82.8450974919
19	0.318373556945	-0.104080385843	0.355916636785	0.405357377739	-0.182901950475	0.451402207442	-0.198355034113	-0.0685536235547	-0.356018696065	0.374046679818	0.12680298895	-0.0744295009023	0.400329765505	0.24824655397	-0.00524598280387	0.670147977492	0.121519437834	0.0723214926511	0.516487012108	-0.00348236649456	0.536475176732	21.754789185	-30.8485624548	102.157961649
20	0.798385294891	-0.82478552877	-0.045412258579	1.65993700049	-0.00806940152119	0.918888711753	-0.0905647142954	0.0196882953812	-0.122179701455	0.206259222659	0.0535578155978	0.252173063133	0.129056412854	-0.0331731543407	-0.000134233577872	0.500314453859	0.0138897634545	0.0632429677437	0.459405519462	-0.014832940374	0.475589798312	6.43829282901	-18.3312005683	93.7666683683

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 60 through 272 )	A	A	60 - 272	1 - 213
2	2	chain 'A' and (resid 273 through 308 )	A	A	273 - 308	214 - 246
3	3	chain 'A' and (resid 309 through 348 )	A	A	309 - 348	247 - 286
4	4	chain 'A' and (resid 349 through 599 )	A	A	349 - 599	287 - 537
5	5	chain 'B' and (resid 65 through 158 )	B	D	65 - 158	1 - 94
6	6	chain 'B' and (resid 159 through 291 )	B	D	159 - 291	95 - 227
7	7	chain 'B' and (resid 292 through 322 )	B	D	292 - 322	228 - 255
8	8	chain 'B' and (resid 323 through 360 )	B	D	323 - 360	256 - 290
9	9	chain 'B' and (resid 361 through 392 )	B	D	361 - 392	291 - 322
10	10	chain 'B' and (resid 393 through 598 )	B	D	393 - 598	323 - 528
11	11	chain 'C' and (resid 64 through 272 )	C	G	64 - 272	1 - 209
12	12	chain 'C' and (resid 273 through 308 )	C	G	273 - 308	210 - 242
13	13	chain 'C' and (resid 309 through 348 )	C	G	309 - 348	243 - 279
14	14	chain 'C' and (resid 349 through 392 )	C	G	349 - 392	280 - 323
15	15	chain 'C' and (resid 393 through 559 )	C	G	393 - 559	324 - 490
16	16	chain 'C' and (resid 560 through 599 )	C	G	560 - 599	491 - 530
17	17	chain 'D' and (resid 64 through 272 )	D	J	64 - 272	1 - 209
18	18	chain 'D' and (resid 273 through 308 )	D	J	273 - 308	210 - 243
19	19	chain 'D' and (resid 309 through 348 )	D	J	309 - 348	244 - 283
20	20	chain 'D' and (resid 349 through 598 )	D	J	349 - 598	284 - 533

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