PDB-7lv7: Crystal Structure of Branched-chain amino acid aminotransferase f...

ID or keywords:

Entry

Database: PDB / ID: 7lv7

Title

Crystal Structure of Branched-chain amino acid aminotransferase from Giardia lamblia ATCC 50803

Components

Branched-chain amino acid aminotransferase

Keywords

TRANSFERASE / SSGCID / Branched-chain amino acid aminotransferase / lateral transfer candidate / Giardia lamblia / Giardia intestinalis / pyridoxal 5'-phosphate / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease

Function / homology

Function and homology information

branched-chain amino acid metabolic process / branched-chain-amino-acid transaminase activity / L-leucine-2-oxoglutarate transaminase activity / L-valine-2-oxoglutarate transaminase activity / L-isoleucine-2-oxoglutarate transaminase activity / metal ion binding
Similarity search - Function

Biological species

Giardia intestinalis (eukaryote)

Method

X-RAY DIFFRACTION /

MOLECULAR REPLACEMENT / Resolution: 2.1 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: to be published
Title: Crystal Structure of Branched-chain amino acid aminotransferase from Giardia lamblia ATCC 50803
Authors: Abendroth, J. / Lorimer, D.D. / Horanyi, P.S. / Edwards, T.E.

History

Deposition	Feb 24, 2021	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Mar 17, 2021	Provider: repository / Type: Initial release
Revision 1.1	Oct 18, 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	Nov 15, 2023	Group: Data collection / Category: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	7lv7.cif.gz	702.7 KB	Display	PDBx/mmCIF format
PDB format	pdb7lv7.ent.gz	476.5 KB	Display	PDB format
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Validation report

Summary document	7lv7_validation.pdf.gz	474.6 KB	Display	wwPDB validaton report
Full document	7lv7_full_validation.pdf.gz	478.8 KB	Display
Data in XML	7lv7_validation.xml.gz	60.2 KB	Display
Data in CIF	7lv7_validation.cif.gz	88.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/lv/7lv7 ftp://data.pdbj.org/pub/pdb/validation_reports/lv/7lv7	HTTPS FTP

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Related structure data

Related structure data	4dqnS S: Starting model for refinement
Similar structure data	2jld-d 2v9y-1 5hvn-1 3m1s-d 6qbf-1 3nuz-3 6thz-d 6f3i-d 1wy0-1 4go3-4 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetTrack: GilaA.10478.a

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#228 - Dec 2018 Directed Evolution of Enzymes similarity (5)

Deposited unit

A: Branched-chain amino acid aminotransferase

B: Branched-chain amino acid aminotransferase

C: Branched-chain amino acid aminotransferase

D: Branched-chain amino acid aminotransferase

hetero molecules

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

1

A: Branched-chain amino acid aminotransferase

B: Branched-chain amino acid aminotransferase

hetero molecules

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

2

C: Branched-chain amino acid aminotransferase

D: Branched-chain amino acid aminotransferase

hetero molecules

defined by author
83.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	58.990, 243.180, 60.500
Angle α, β, γ (deg.)	90.000, 118.918, 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 0 or (resid 1 through 2...
d_2	ens_1	(chain "B" and (resid 0 through 13 or (resid 14...
d_3	ens_1	(chain "C" and (resid 0 through 23 or resid 25...
d_4	ens_1	(chain "D" and (resid 0 or (resid 1 through 2...

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Beg label comp-ID	End label comp-ID	Label asym-ID	Label seq-ID
d_1	1	ens_1	SER	HIS	A	2 - 25
d_1	2	ens_1	ARG	PHE	A	27 - 46
d_1	3	ens_1	ILE	GLY	A	48 - 73
d_1	4	ens_1	VAL	SER	A	75 - 147
d_1	5	ens_1	TYR	GLN	A	149 - 201
d_1	6	ens_1	VAL	PRO	A	203 - 253
d_1	7	ens_1	SER	SER	A	255 - 272
d_1	8	ens_1	TYR	VAL	A	274 - 279
d_1	9	ens_1	VAL	ARG	A	281 - 282
d_1	10	ens_1	VAL	VAL	A	284 - 357
d_2	1	ens_1	SER	HIS	C	1 - 24
d_2	2	ens_1	ARG	PHE	C	26 - 45
d_2	3	ens_1	ILE	GLY	C	47 - 72
d_2	4	ens_1	VAL	SER	C	74 - 146
d_2	5	ens_1	TYR	GLN	C	148 - 200
d_2	6	ens_1	VAL	PRO	C	202 - 252
d_2	7	ens_1	SER	SER	C	254 - 271
d_2	8	ens_1	TYR	VAL	C	273 - 278
d_2	9	ens_1	VAL	ARG	C	280 - 281
d_2	10	ens_1	VAL	VAL	C	283 - 356
d_3	1	ens_1	SER	HIS	G	1 - 24
d_3	2	ens_1	ARG	PHE	G	26 - 45
d_3	3	ens_1	ILE	GLY	G	47 - 72
d_3	4	ens_1	VAL	SER	G	74 - 146
d_3	5	ens_1	TYR	GLN	G	148 - 200
d_3	6	ens_1	VAL	PRO	G	202 - 252
d_3	7	ens_1	SER	SER	G	254 - 271
d_3	8	ens_1	TYR	VAL	G	273 - 278
d_3	9	ens_1	VAL	ARG	G	280 - 281
d_3	10	ens_1	VAL	VAL	G	283 - 356
d_4	1	ens_1	SER	HIS	K	2 - 25
d_4	2	ens_1	ARG	PHE	K	27 - 46
d_4	3	ens_1	ILE	GLY	K	48 - 73
d_4	4	ens_1	VAL	SER	K	75 - 147
d_4	5	ens_1	TYR	GLN	K	149 - 201
d_4	6	ens_1	VAL	PRO	K	203 - 253
d_4	7	ens_1	SER	SER	K	255 - 272
d_4	8	ens_1	TYR	VAL	K	274 - 279
d_4	9	ens_1	VAL	ARG	K	281 - 282
d_4	10	ens_1	VAL	VAL	K	284 - 357

NCS oper:

ID	Code	Matrix	Vector
1	given	(-0.847604354471, 0.116109285018, 0.517769728948), (0.118332137105, -0.90983426367, 0.397742527246), (0.517266240548, 0.398397096607, 0.757440023899)	27.2123398055, -3.84895249519, -7.14088496219
2	given	(-0.847657619188, 0.0514685063046, 0.528041242226), (-0.157178602191, 0.926240530181, -0.342597967396), (-0.506726205802, -0.373402561734, -0.77704509473)	55.2893595136, 61.1889659476, 3.64347171076
3	given	(0.996764427241, 0.0593650206651, -0.0541892139463), (0.0608833444986, -0.997784754303, 0.0268104913024), (-0.052477566153, -0.0300229645879, -0.998170690137)	28.5898109904, 55.9002520948, -2.45815772276

#1: Protein	Branched-chain amino acid aminotransferase / Branched-chain amino acid aminotransferase lateral transfer candidate Mass: 41618.078 Da / Num. of mol.: 4 / Fragment: GilaA.10478.a.A1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Giardia intestinalis (eukaryote) / Strain: ATCC 50803 / WB clone C6 / Gene: GL50803_006184, GL50803_6184 / Plasmid: GilaA.10478.a.A1 / Production host: Escherichia coli BL21(DE3) (bacteria) References: UniProt: E2RU99, branched-chain-amino-acid transaminase
#2: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂H₆O₂
#3: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#4: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1053 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.3 Å³/Da / Density % sol: 46.5 %
Crystal grow	Temperature: 287 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: RigakuReagents JCSG+ screen, condition H3: 100mM BisTris pH 5.5, 25% (w/V) PEG 3350: GilaA.10478.a.A1.PW27569 + 2mM PLP: tray 254466 h3: cryo: 20% ethylene glcol: puck bfw3-4

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

ROTATING ANODE / Type: RIGAKU FR-E+ SUPERBRIGHT / Wavelength: 1.5418 Å

Detector

Type: RIGAKU SATURN 944+ / Detector: CCD / Date: Aug 14, 2014

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1.5418 Å / Relative weight: 1

Reflection

Resolution: 2.1→50 Å / Num. obs: 85876 / % possible obs: 99 % / Redundancy: 2.951 % / B_iso Wilson estimate: 29.734 Å² / CC_1/2: 0.994 / R_merge(I) obs: 0.095 / R_rim(I) all: 0.116 / Χ²: 0.934 / Net I/σ(I): 9.45

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	Num. unique obs	CC_1/2	R_rim(I) all	% possible all
2.1-2.15	2.545	0.433	2.58	6254	0.707	0.544	98.1
2.15-2.21	2.882	0.393	3.17	6167	0.772	0.482	99.1
2.21-2.28	2.929	0.344	3.54	6054	0.822	0.421	99.4
2.28-2.35	2.944	0.304	3.91	5889	0.847	0.372	99.7
2.35-2.42	2.955	0.274	4.38	5680	0.871	0.335	99.4
2.42-2.51	2.965	0.235	4.94	5503	0.911	0.287	99.6
2.51-2.6	2.983	0.204	5.49	5291	0.93	0.25	99.5
2.6-2.71	2.984	0.18	6.13	5119	0.945	0.22	99.4
2.71-2.83	3.004	0.152	7.07	4879	0.961	0.186	99.5
2.83-2.97	3.01	0.121	8.66	4690	0.973	0.148	99.4
2.97-3.13	3.025	0.102	10.07	4482	0.981	0.124	99.3
3.13-3.32	3.022	0.077	13.03	4208	0.989	0.094	99.3
3.32-3.55	3.024	0.064	15.89	3943	0.991	0.078	98.7
3.55-3.83	3.01	0.055	18.76	3653	0.993	0.067	98.7
3.83-4.2	3.022	0.049	21.03	3363	0.994	0.06	98.3
4.2-4.7	2.992	0.043	23.63	3044	0.995	0.053	98
4.7-5.42	3.054	0.047	22.06	2682	0.995	0.057	97.8
5.42-6.64	3.057	0.054	19.07	2288	0.994	0.065	98.5
6.64-9.39	3.057	0.042	23.02	1741	0.996	0.051	97.5
9.39-50	2.921	0.032	28.1	946	0.997	0.039	93.8

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Processing

Software

Name	Version	Classification
XDS		data reduction
XSCALE		data scaling
PHENIX	1.19	refinement
PDB_EXTRACT	3.27	data extraction
MoRDa		phasing
PHENIX		model building
Coot		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: pdb entry 4dqn as per Morda

4dqn

Resolution: 2.1→47.53 Å / SU ML: 0.2315 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 20.1231
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.1994	2033	2.37 %
R_work	0.1608	83833	-
obs	0.1617	85866	99.36 %

Solvent computation

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

Displacement parameters

B_iso mean: 26.64 Å²

Refinement step

Cycle: LAST / Resolution: 2.1→47.53 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11003	0	20	1053	12076

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0071	11385
X-RAY DIFFRACTION	f_angle_d	0.8631	15544
X-RAY DIFFRACTION	f_chiral_restr	0.0562	1753
X-RAY DIFFRACTION	f_plane_restr	0.0072	2023
X-RAY DIFFRACTION	f_dihedral_angle_d	12.3444	4092

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Refine-ID	Type	Rms dev position (Å)
ens_1	d_2	A	X-RAY DIFFRACTION	Torsion NCS	0.496390927701
ens_1	d_3	A	X-RAY DIFFRACTION	Torsion NCS	0.527409114673
ens_1	d_4	A	X-RAY DIFFRACTION	Torsion NCS	0.510228389675

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 (%)
2.1-2.15	0.3179	137	0.2432	5461	X-RAY DIFFRACTION	97.99
2.15-2.2	0.248	140	0.2159	5586	X-RAY DIFFRACTION	99.74
2.2-2.26	0.2489	126	0.1979	5645	X-RAY DIFFRACTION	99.6
2.26-2.33	0.2314	135	0.1916	5568	X-RAY DIFFRACTION	99.67
2.33-2.4	0.2471	145	0.1874	5599	X-RAY DIFFRACTION	99.76
2.4-2.49	0.2484	114	0.178	5606	X-RAY DIFFRACTION	99.86
2.49-2.59	0.2218	146	0.1783	5629	X-RAY DIFFRACTION	99.86
2.59-2.71	0.222	125	0.1786	5619	X-RAY DIFFRACTION	99.81
2.71-2.85	0.2629	108	0.1757	5634	X-RAY DIFFRACTION	99.83
2.85-3.03	0.2173	138	0.1711	5628	X-RAY DIFFRACTION	99.69
3.03-3.26	0.2028	145	0.1623	5578	X-RAY DIFFRACTION	99.7
3.26-3.59	0.1874	153	0.1493	5571	X-RAY DIFFRACTION	99.15
3.59-4.11	0.158	159	0.1313	5558	X-RAY DIFFRACTION	99.03
4.11-5.18	0.1564	119	0.1176	5562	X-RAY DIFFRACTION	98.41
5.18-47.53	0.1494	143	0.1449	5589	X-RAY DIFFRACTION	98.39

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	2.75566930162	0.507964164669	-1.59126549031	2.96900500571	0.197661264837	3.58799234094	0.0777774408541	-0.372455043496	0.378477849908	0.564922113909	-0.0539142491052	0.000854576808342	-0.111223585549	0.0957826134616	-0.0233235490229	0.26542543847	0.0377453060102	-0.0569314085592	0.169910841538	-0.00972345567695	0.207707527556	16.6000983674	-8.77801502814	28.7958362767
2	1.01849845262	0.780369395841	-0.809354552271	2.04337362406	-0.266422502132	1.45788754444	-0.0688797315257	-0.083774312794	-0.179976092902	0.137303983952	0.0361338359134	-0.137679431579	0.214657358541	0.113429826767	0.0394096666429	0.162135294476	0.0280125965819	-0.0116565073007	0.143267739619	0.0055416056295	0.2113948767	17.9217991982	-14.0840096478	20.8053247078
3	0.605097117699	-0.24426665582	0.380880069233	0.965145013022	-0.0854520360122	2.0527780846	-0.0831082741759	-0.171823457022	0.0522322884391	0.168506309867	0.0307230309792	0.0858276555604	-0.0271528061732	-0.0456311746776	0.0298041311268	0.179522286665	0.0298448790649	0.0275822737658	0.0734120841223	-0.00732240873315	0.228114096562	13.1356895635	-8.20974359863	16.5867922246
4	0.886980499303	0.804778047386	-0.026293048801	1.64558058832	-0.0616480449718	0.522535396243	-0.0729876752108	0.15788412581	-0.186811857808	-0.109496869654	0.109570511383	0.139526404129	0.044824483864	-0.119806121863	-0.0389615570864	0.182656984357	-0.0657191010849	-0.000768420822116	0.207553502077	-0.0144647017639	0.278496575948	2.822574723	-11.7585957025	1.32174360751
5	0.832154958744	-0.0497141758777	0.494351162573	2.13070291448	-0.385566252194	1.98246557292	-0.11246216144	0.135214853527	-0.109511938793	-0.10629350637	0.0954615403199	0.245669827299	0.0493958102498	-0.130643494723	0.0176575740772	0.1695629835	-0.0750521515642	0.0108390563506	0.185343184707	-0.0270609251733	0.282380942539	0.113445800682	-20.4570422648	1.43980205815
6	3.18856760325	-0.254013473857	1.69940021644	1.94743860515	0.12063099885	3.00177822756	-0.0231007930802	-0.116429061229	-0.397207789234	0.381864991042	0.155375443563	0.16783271521	0.289478307675	-0.10558139769	-0.137920895714	0.305537727353	-0.029600770811	0.0434802753065	0.130103336632	-0.00768538380192	0.320499793621	5.81820618144	-29.1267493817	17.7962659152
7	4.16463943303	0.276549121879	0.80335109033	1.76281222224	0.700854635138	2.179742851	0.00753064352083	-0.159072483405	-0.264037992358	0.210680931395	0.104701288012	-0.25070254273	-0.0789174895412	0.379268912834	-0.108742828256	0.247921687935	-0.00838488595807	0.0127609591765	0.151337401671	-0.0153234139335	0.157815440407	26.7206008915	17.6658048278	19.2997848572
8	0.937682001843	0.45082083344	0.0472142907906	1.33699869916	-0.419904391434	1.52970695814	-0.00821152549054	0.033681466472	0.048681168371	0.0428728228324	0.0488746036498	-0.0565039690771	-0.293075633259	0.179287226697	-0.0351246650131	0.180620269647	-0.0343561413238	0.038398942659	0.146291453162	-0.029110403392	0.132504508634	21.0950889562	19.0802663421	12.4214087003
9	0.748882477967	-0.480189887416	0.47895364976	1.42497181469	0.861422121435	2.06403104982	-0.0672020414411	0.0250066082935	-0.0372350062876	0.0636495981009	0.145259598287	-0.039179163853	-0.0234604215088	0.261548707393	-0.0153884380423	0.132627014041	0.0115647278933	-0.0296475322557	0.127273235525	-0.0125138687161	0.139698923561	22.1046293249	12.4551616838	11.6364909674
10	0.537263009224	0.378281815873	-0.116508112561	1.15732303762	-1.0054449478	1.6610266264	-0.0217817894936	0.0863806731893	-0.0347014679449	-0.0469557461154	0.0376511736979	0.0401257928334	0.128899203148	-0.0028238938444	-0.015254007115	0.130438385856	-0.0418949663215	0.0198485046888	0.189604795807	-0.0402916979997	0.14322346134	23.4057544454	11.6765455393	-11.018766034
11	1.67806304147	0.196541501353	-0.33875238903	2.50777028859	1.56595749679	2.12661622123	0.0760532848527	0.246581936501	-0.285504113602	-0.227846738109	0.253901761504	-0.815494052375	0.036767182068	0.706252510057	-0.146622410133	0.182709512779	-0.00152870538221	0.0678478358926	0.480438862079	-0.105509599345	0.343403673522	34.6217788282	9.23196671261	-15.6763624161
12	1.84347154946	-0.677692655904	-0.927770636358	1.48647261131	0.662844696101	3.94921310716	0.0194825322686	0.120118837421	0.28798344788	0.0157198318592	0.0566004344853	-0.194720664118	-0.736644591384	0.315352158382	-0.0902329762041	0.289527219527	-0.107662712768	0.00186866552591	0.201269600531	0.00679021113809	0.2037056293	28.0314817771	30.4578660665	-2.1801731657
13	5.94121610281	0.794719577705	0.686668760507	4.82431366812	3.02127719651	5.93644748915	-0.263138166665	0.311142780888	-0.0869028671482	-0.152028728194	0.324296329956	-0.398179739525	-0.123618969506	0.900696607746	-0.0380853393948	0.244968955635	-0.0911561833114	0.0528381037172	0.283200361558	-0.0335053879977	0.2186754667	66.551691055	40.5486947916	-21.1240365774
14	0.124646866941	0.0570490334506	-0.0564092278027	1.83129908274	0.488305936318	0.236680385327	0.0269289449949	0.162044070351	0.102630617211	-0.462491991377	0.0172303885431	0.15756150232	-0.0702378911903	-0.0440417072205	-0.0307204357311	0.280781171666	-0.0382403889903	-0.0654713818027	0.19248640732	0.00437362081372	0.157578946231	44.2914405089	46.6119162966	-24.8549900119
15	1.83794688775	-0.871887778501	0.088814634653	1.72977481839	-0.0208742653198	1.49735440473	-0.0420790496516	-0.0473409295869	-0.136669718676	-0.110793385419	0.146633795189	0.0191604229646	0.214980114279	0.0369273704435	-0.104914436913	0.196465910223	-0.0391932797814	-0.0316568513606	0.115778626076	-0.016545246887	0.135427469272	49.8695025454	37.2152870301	-15.2648628508
16	1.46387565824	-0.642156460076	0.460647894129	1.98176701717	0.568500594426	2.88149032288	0.0752012277558	-0.130396491694	-0.0312898210876	-0.0574797307847	0.154177473272	-0.227552713057	-0.0180106196963	0.199002981876	-0.206044478185	0.0976532958987	-0.0826772582127	0.0264617551942	0.124660886211	0.0236656237751	0.162749875093	56.8182812713	47.1605434439	-6.40532574431
17	0.477740389548	-0.583768975798	0.540372219896	1.62424206462	-1.04668095818	1.38980512932	-0.047374426473	-0.149293166182	-0.0286985388933	0.0520059084868	0.157985164882	0.039667041733	-0.0732084609829	-0.2006857397	-0.112147685535	0.137194316536	0.00306273421412	-0.012023629476	0.20947269455	0.0105631774432	0.139057537985	52.0942811397	44.1463639668	7.28732463039
18	1.20508143959	-0.111231843468	0.513258821221	4.06056699231	2.26645303018	2.77602373475	0.0273698331106	-0.398604050354	0.219745243622	0.275295334412	0.290815916058	-0.761667002974	-0.139803278813	0.59613659497	-0.115082730201	0.218093432034	-0.0186542529778	-0.0737754746843	0.42423824505	-0.0705509462897	0.261535072368	63.5672724688	48.3981147713	11.9012977257
19	1.49295781809	0.336090037721	0.410667178711	1.42788260429	0.715012969129	5.09691108021	0.194707310073	-0.120682499268	-0.358386502579	-0.0780758511069	0.119259652168	-0.0569853259175	0.725076495223	0.115719408368	-0.321830945451	0.275470328423	0.0449481763915	-0.0646290554895	0.156648621475	0.0136156496953	0.226002811923	58.3951338608	27.3330756624	-2.45551243344
20	0.895341226945	-0.410073576962	-0.27385011081	2.4435325073	-0.270099961517	1.73225227105	0.0665943443804	0.26623980826	0.00528658752362	-0.456600319	-0.0603011312347	-0.0605704166254	0.0234551950727	-0.219084348136	-0.00577525966805	0.246969656669	-0.0154001070429	0.00146874955542	0.200417588544	0.0043736820111	0.145108523149	45.2816708336	63.1414547186	-28.8214292256
21	2.73167709172	-0.901698883505	0.415466021576	2.67529751082	-0.588279566713	2.24048824464	-0.00321600457458	0.195776744732	0.201687659488	-0.243575377002	0.0363750129048	-0.0588912688692	-0.176081263694	-0.137964917242	-0.00620678561026	0.181158700386	-0.0224822443031	0.00271439888828	0.121304272162	0.00765773475779	0.141767303591	44.6934435443	72.195015541	-23.3119764566
22	4.22818406837	-0.912116603051	-1.49860247586	1.31235874183	1.10788807641	1.08474441601	0.0404104750084	-0.0131324255338	-0.186996005212	-0.039245240954	0.210287767516	0.708885631014	0.0553258188484	-0.354968343184	-0.26658318415	0.151253234928	-0.0505480841508	-0.0688980136836	0.228886978186	0.0350908974891	0.352854502896	23.7809123993	65.9652492754	-9.92320099384
23	0.807219697904	-0.871380275757	-0.291235580843	2.38950571485	0.312104624239	0.906672935349	-0.107369009057	-0.160325305522	0.0782938218972	0.174370846009	0.182200446887	0.198105339698	-0.0228292062436	-0.150393034562	-0.0690050301196	0.179444469759	0.0588304935029	0.016941839304	0.227459874315	0.0176867905889	0.215741570974	30.9967745934	73.2891714804	-3.46088554919
24	2.64422806256	-0.10496037168	-0.956375636714	2.11118568481	-0.337263322324	1.92615601623	0.096129190753	0.145773213368	0.391808355982	-0.0852991012882	0.0296562660714	0.341646800707	-0.0605260751407	-0.274057653023	-0.128228317547	0.177577972558	0.0591306806329	-0.0362035768097	0.201479587836	0.0218722496587	0.251558009614	26.0536441683	79.3923992249	-13.3967743199

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 -1 through 39 )	A	A	-1 - 39	1 - 41
2	2	chain 'A' and (resid 40 through 124 )	A	A	40 - 124	42 - 126
3	3	chain 'A' and (resid 125 through 171 )	A	A	125 - 171	127 - 173
4	4	chain 'A' and (resid 172 through 246 )	A	A	172 - 246	174 - 248
5	5	chain 'A' and (resid 247 through 325 )	A	A	247 - 325	249 - 327
6	6	chain 'A' and (resid 326 through 355 )	A	A	326 - 355	328 - 357
7	7	chain 'B' and (resid 0 through 39 )	B	C	0 - 39	1 - 40
8	8	chain 'B' and (resid 40 through 124 )	B	C	40 - 124	41 - 125
9	9	chain 'B' and (resid 125 through 166 )	B	C	125 - 166	126 - 167
10	10	chain 'B' and (resid 167 through 300 )	B	C	167 - 300	168 - 301
11	11	chain 'B' and (resid 301 through 325 )	B	C	301 - 325	302 - 326
12	12	chain 'B' and (resid 326 through 355 )	B	C	326 - 355	327 - 356
13	13	chain 'C' and (resid 0 through 22 )	C	G	0 - 22	1 - 23
14	14	chain 'C' and (resid 23 through 60 )	C	G	23 - 60	24 - 61
15	15	chain 'C' and (resid 61 through 145 )	C	G	61 - 145	62 - 146
16	16	chain 'C' and (resid 146 through 176 )	C	G	146 - 176	147 - 177
17	17	chain 'C' and (resid 177 through 300 )	C	G	177 - 300	178 - 301
18	18	chain 'C' and (resid 301 through 325 )	C	G	301 - 325	302 - 326
19	19	chain 'C' and (resid 326 through 355 )	C	G	326 - 355	327 - 356
20	20	chain 'D' and (resid -1 through 60 )	D	K	-1 - 60	1 - 62
21	21	chain 'D' and (resid 61 through 156 )	D	K	61 - 156	63 - 158
22	22	chain 'D' and (resid 157 through 176 )	D	K	157 - 176	159 - 178
23	23	chain 'D' and (resid 177 through 300 )	D	K	177 - 300	179 - 302
24	24	chain 'D' and (resid 301 through 355 )	D	K	301 - 355	303 - 357

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