PDB-7k74: Crystal Structure of Fructose-1,6-bisphosphatase, type I, from St...

ID or keywords:

Entry

Database: PDB / ID: 7k74

Title

Crystal Structure of Fructose-1,6-bisphosphatase, type I, from Stenotrophomonas maltophilia K279a

Components

Fructose-1,6-bisphosphatase class 1

Keywords

HYDROLASE / SSGCID / Stenotrophomonas maltophilia K279a / Stenotrophomonas / Fructose-1 / 6-bisphosphatase / type I / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease

Function / homology

Function and homology information

fructose-bisphosphatase / fructose 1,6-bisphosphate 1-phosphatase activity / gluconeogenesis / magnesium ion binding / cytoplasm
Similarity search - Function

Biological species

Stenotrophomonas maltophilia (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.2 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: to be published
Title: Crystal Structure of Fructose-1,6-bisphosphatase, type I, from Stenotrophomonas maltophilia K279a
Authors: Abendroth, J. / Horanyi, P.S. / Lorimer, D.D. / Edwards, T.E.

History

Deposition	Sep 22, 2020	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 21, 2020	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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7k74.cif.gz	606.5 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	7k74_validation.pdf.gz	470.4 KB	Display	wwPDB validaton report
Full document	7k74_full_validation.pdf.gz	477.4 KB	Display
Data in XML	7k74_validation.xml.gz	48.8 KB	Display
Data in CIF	7k74_validation.cif.gz	69.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/k7/7k74 ftp://data.pdbj.org/pub/pdb/validation_reports/k7/7k74	HTTPS FTP

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Related structure data

Related structure data	1nuyS S: Starting model for refinement
Similar structure data	5et7-2 4gwu-1 1fbe-1 5et7-1 5ldz-2 3ztt-d 4gww-1 1fbc-1 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: SSGCID-StmaA.17936.a TargetTrack: StmaA.17936.a

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Fructose-1,6-bisphosphatase class 1

B: Fructose-1,6-bisphosphatase class 1

C: Fructose-1,6-bisphosphatase class 1

D: Fructose-1,6-bisphosphatase class 1

hetero molecules

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

1

Idetical with deposited unit
defined by author
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	76.040, 125.730, 158.450
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

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
d_1	ens_1	(chain "A" and (resid -2 through 9 or resid 11...
d_2	ens_1	(chain "B" and (resid -2 through 2 or (resid 3...
d_3	ens_1	(chain "C" and (resid -2 through 9 or resid 11...
d_4	ens_1	(chain "D" and (resid -2 through 6 or (resid 7...

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	HIS	GLN	A	1 - 12
d_1	2	ens_1	ALA	SER	A	14 - 79
d_1	3	ens_1	GLU	ASP	A	81 - 83
d_1	4	ens_1	SER	THR	A	85 - 127
d_1	5	ens_1	PRO	MET	A	130 - 233
d_1	6	ens_1	ALA	PRO	A	235 - 302
d_1	7	ens_1	PHE	ALA	A	304 - 324
d_1	8	ens_1	PO4	PO4	B
d_2	1	ens_1	HIS	GLN	C	1 - 12
d_2	2	ens_1	ALA	SER	C	14 - 79
d_2	3	ens_1	GLU	ASP	C	81 - 83
d_2	4	ens_1	SER	THR	C	85 - 127
d_2	5	ens_1	PRO	MET	C	130 - 233
d_2	6	ens_1	ALA	PRO	C	235 - 302
d_2	7	ens_1	PHE	ALA	C	304 - 324
d_2	8	ens_1	PO4	PO4	D
d_3	1	ens_1	HIS	GLN	E	1 - 12
d_3	2	ens_1	ALA	SER	E	14 - 79
d_3	3	ens_1	GLU	ASP	E	81 - 83
d_3	4	ens_1	SER	MET	E	85 - 231
d_3	5	ens_1	ALA	PRO	E	233 - 300
d_3	6	ens_1	PHE	ALA	E	302 - 322
d_3	7	ens_1	PO4	PO4	F
d_4	1	ens_1	HIS	GLN	G	1 - 12
d_4	2	ens_1	ALA	SER	G	14 - 79
d_4	3	ens_1	GLU	ASP	G	81 - 83
d_4	4	ens_1	SER	THR	G	85 - 127
d_4	5	ens_1	PRO	MET	G	130 - 233
d_4	6	ens_1	ALA	PRO	G	235 - 302
d_4	7	ens_1	PHE	ALA	G	304 - 324
d_4	8	ens_1	PO4	PO4	H

NCS oper:

ID	Code	Matrix	Vector
1	given	(-0.999993487985, -0.00352888920925, 0.000755597902004), (0.00353328144225, -0.999976395651, 0.00589271268789), (0.00073478533639, 0.00589534405451, 0.999982352349)	0.0809907635088, 4.55708399178, -0.0358877967532
2	given	(-0.999999379296, -0.00104043645554, 0.000398622996494), (-0.00104450992551, 0.999945801818, -0.0103586883702), (-0.00038782383484, -0.0103590983062, -0.999946267894)	-0.0145900643131, 0.000240698141186, -1.44540955647
3	given	(0.999973160254, 0.00692205349775, -0.00240082219581), (0.00690684479637, -0.999956388254, -0.0062862616516), (-0.00244423133122, 0.00626951082365, -0.999977359227)	-0.0503860210916, 4.56246549495, -1.43196786979

#1: Protein	Fructose-1,6-bisphosphatase class 1 / FBPase class 1 / D-fructose-1 / 6-bisphosphate 1-phosphohydrolase class 1 Mass: 37436.363 Da / Num. of mol.: 4 / Fragment: StmaA.17936.a.B1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Stenotrophomonas maltophilia (strain K279a) (bacteria) Strain: K279a / Gene: fbp, Smlt0047 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: B2FU10, fructose-bisphosphatase
#2: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: PO₄
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 465 / Source method: isolated from a natural source / Formula: H₂O
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: 2.54 Å³/Da / Density % sol: 51.6 %
Crystal grow	Temperature: 287 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: Rigaku Reagents JCSG+ screen, condition h12: 45% (V/V) MPD, 200mM Ammonium acetate, 100mM HEPES free acid / NaOH pH 7.5: StmaA.17936.a.B1.PW38784 at 22.75mg/ml + 4mM fructose-1,6- ...Details: Rigaku Reagents JCSG+ screen, condition h12: 45% (V/V) MPD, 200mM Ammonium acetate, 100mM HEPES free acid / NaOH pH 7.5: StmaA.17936.a.B1.PW38784 at 22.75mg/ml + 4mM fructose-1,6-bisphosphate: tray: 315242h12, cryo: direct: puck: uog3-7

Crystal

Density Matthews: 2.54 Å³/Da / Density % sol: 51.6 %

Crystal grow

Temperature: 287 K / Method: vapor diffusion, sitting drop / pH: 7.5
Details: Rigaku Reagents JCSG+ screen, condition h12: 45% (V/V) MPD, 200mM Ammonium acetate, 100mM HEPES free acid / NaOH pH 7.5: StmaA.17936.a.B1.PW38784 at 22.75mg/ml + 4mM fructose-1,6- ...

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 21-ID-F / Wavelength: 0.97872 Å

Detector

Type: RAYONIX MX-300 / Detector: CCD / Date: Jul 23, 2018 / Details: Beryllium Lenses

Radiation

Monochromator: Diamond [111] / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.97872 Å / Relative weight: 1

Reflection

Resolution: 2.2→50 Å / Num. obs: 77671 / % possible obs: 99.7 % / Redundancy: 7.359 % / B_iso Wilson estimate: 40.704 Å² / CC_1/2: 0.999 / R_merge(I) obs: 0.078 / R_rim(I) all: 0.084 / Χ²: 0.868 / Net I/σ(I): 12.72

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
2.2-2.26	7.474	0.551	3.45	5673	0.971	0.592	99.7
2.26-2.32	7.469	0.452	4.02	5518	0.98	0.485	99.7
2.32-2.39	7.463	0.374	4.69	5376	0.987	0.402	99.6
2.39-2.46	7.46	0.311	5.31	5231	0.991	0.334	99.7
2.46-2.54	7.468	0.272	6	5075	0.994	0.292	99.6
2.54-2.63	7.445	0.212	7.04	4926	0.996	0.228	99.7
2.63-2.73	7.444	0.168	8.4	4727	0.997	0.181	99.7
2.73-2.84	7.442	0.144	9.49	4572	0.997	0.154	99.8
2.84-2.97	7.426	0.123	11.23	4372	0.998	0.132	99.7
2.97-3.11	7.405	0.098	13.09	4206	0.998	0.105	99.9
3.11-3.28	7.348	0.081	15.8	4028	0.999	0.087	99.7
3.28-3.48	7.31	0.067	19.27	3811	0.998	0.072	99.9
3.48-3.72	7.272	0.06	21.56	3584	0.998	0.064	99.8
3.72-4.02	7.217	0.052	24.12	3348	0.999	0.057	99.8
4.02-4.4	7.209	0.049	25.95	3091	0.999	0.053	99.9
4.4-4.92	7.2	0.043	27.82	2812	0.999	0.047	99.9
4.92-5.68	7.193	0.044	26.1	2514	0.999	0.047	99.9
5.68-6.96	7.121	0.04	24.09	2150	0.999	0.043	100
6.96-9.84	6.963	0.034	26.35	1685	0.999	0.037	99.8
9.84-50	6.29	0.033	26.23	972	0.999	0.036	96.5

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Processing

Software

Name	Version	Classification
XDS		data reduction
XSCALE		data scaling
PHENIX	1.18.2	refinement
PDB_EXTRACT	3.25	data extraction
MoRDa		phasing
PHENIX		model building
Coot		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: pdb entry 1nuy as per Morda

1nuy

Resolution: 2.2→37.78 Å / SU ML: 0.2585 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 33.9452
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.251	1973	2.57 %	0
R_work	0.2135	74908	-	-
obs	0.2145	76881	98.82 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 41.87 Å²

Refinement step

Cycle: LAST / Resolution: 2.2→37.78 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9714	0	20	465	10199

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0073	9999
X-RAY DIFFRACTION	f_angle_d	0.8813	13604
X-RAY DIFFRACTION	f_chiral_restr	0.051	1525
X-RAY DIFFRACTION	f_plane_restr	0.0083	1785
X-RAY DIFFRACTION	f_dihedral_angle_d	12.9353	3543

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	0.298195496229
ens_1	d_3	A	X-RAY DIFFRACTION	Torsion NCS	0.265826502606
ens_1	d_4	A	X-RAY DIFFRACTION	Torsion NCS	0.30968365196

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 (%)
2.2-2.26	0.3585	135	0.2724	5289	X-RAY DIFFRACTION	98.98
2.26-2.32	0.2919	143	0.2608	5280	X-RAY DIFFRACTION	98.98
2.32-2.38	0.3128	130	0.2516	5293	X-RAY DIFFRACTION	98.58
2.38-2.46	0.2839	167	0.2457	5244	X-RAY DIFFRACTION	98.54
2.46-2.55	0.2891	142	0.2311	5302	X-RAY DIFFRACTION	98.66
2.55-2.65	0.2903	127	0.2327	5274	X-RAY DIFFRACTION	98.41
2.65-2.77	0.3186	153	0.2261	5280	X-RAY DIFFRACTION	98.26
2.77-2.92	0.2618	141	0.2417	5324	X-RAY DIFFRACTION	98.91
2.92-3.1	0.3229	147	0.2323	5326	X-RAY DIFFRACTION	99.24
3.1-3.34	0.2335	124	0.2212	5418	X-RAY DIFFRACTION	99.41
3.34-3.68	0.2273	138	0.1981	5399	X-RAY DIFFRACTION	99.3
3.68-4.21	0.1938	144	0.1823	5437	X-RAY DIFFRACTION	99.66
4.21-5.3	0.2174	142	0.1774	5471	X-RAY DIFFRACTION	99.57
5.3-37.78	0.236	140	0.2192	5571	X-RAY DIFFRACTION	97.01

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	3.0096798614	-0.991845002489	0.503376972885	7.77734391495	-2.57554202328	2.92684978795	0.384086418591	-0.0589266348379	-0.720176959796	0.683137137173	-0.155169054173	-1.14089552548	0.0997938070761	0.494984155162	-0.300726002492	0.66213797606	0.0330608174287	-0.184201886784	0.935642587725	0.0222805554195	0.885565910923	13.3728437054	-10.0148543896	-13.4285393768
2	0.614517809613	-0.579166339839	-0.348836021586	1.56427045183	-0.472723803512	6.07046338124	0.30367260092	-0.164805052139	0.00914871475746	0.218125388788	0.0968538781106	-0.280728146808	0.843224728303	1.17396028206	-0.298437384468	0.624403716365	0.150860599307	-0.202027209363	0.66890274453	-0.089297091192	0.612364070835	9.49429015819	-25.0463368747	-12.0677424895
3	1.20209579975	0.194425986417	0.0684832736154	1.38572738912	0.0428637242781	1.88416347451	0.149497868038	0.135917511248	-0.155108705918	0.10852536576	-0.018082761155	-0.0498680514422	0.289122453727	-0.0726268812601	-0.127890005543	0.282906988544	-0.0238214877846	-0.0654519758397	0.294780137346	-0.0551747015628	0.303205551593	-3.00081652781	-10.0777004616	-27.5957135493
4	1.38110583857	-0.287124097698	0.450346719316	1.77594093037	-0.840754392591	2.89688364561	0.151472161431	0.424395051791	-0.322247719367	0.0010378173212	-0.0266701849804	-0.073154042666	0.552457688028	0.213427300259	-0.121900438366	0.336736259498	0.0179529852392	-0.0951409362095	0.345556564094	-0.147931287224	0.351177153467	-2.70172256599	-18.2106508578	-35.9631474345
5	4.67239565771	4.23211014806	0.720109812704	7.20124922197	0.842193536831	2.45488545167	0.337143357357	-0.295854070541	0.148458122075	0.863953040733	-0.199033407303	-0.103519151999	-0.184136630144	-0.0257021717868	-0.112666807787	0.369358538952	-0.0498758297025	0.0671217369366	0.220010859916	-0.0124077076788	0.273728071467	4.19026923293	20.4476539167	-8.60571590651
6	1.04774428176	0.73633067501	1.20720099194	5.55904083495	4.03244735419	3.36738274357	0.0932151465237	0.442985034957	0.331686441812	0.553254333359	-0.457910767588	1.23589992659	0.445143018207	-0.562650977369	0.33244112824	0.502310386615	0.0219692883125	0.132029887892	0.663645162889	-0.0602487827492	0.670336415309	-11.7881834092	17.2519447073	-11.0334169424
7	3.92266685946	-0.474108331783	0.636825238808	2.6000517018	0.391255888013	4.49903757546	0.0751906206031	-0.742127683121	0.0603405024554	0.482780951549	-0.340255546901	0.539356804689	-0.498345089613	-0.760087803491	0.351826622544	0.484053928196	0.0907015838658	0.154713974582	0.46715904035	0.0276943724231	0.54793737459	-10.6040289289	29.8852125591	-14.6315825975
8	1.30134715138	0.0863273348494	0.399326813877	1.13201909249	0.603862746239	1.96218703614	0.0754273073196	0.152585301941	0.148079442877	0.0566460500307	-0.011810207012	0.021514437041	-0.115133998059	0.0548251292431	-0.0650147231853	0.250695998096	-0.0423565310558	0.0494958267705	0.26124086564	0.0317295969144	0.284128909908	2.33376500818	16.1290226409	-25.1973946757
9	1.13157479595	0.0121650221464	-0.245858832771	2.0773473427	0.544278829607	2.3619734543	0.0835095660284	0.375753081149	0.253050333119	-0.221223033072	-0.0160154029307	0.0863257176467	-0.370500178255	-0.0630764577201	-0.0710686148409	0.244395970218	0.0038416683609	0.0343974717855	0.328184341337	0.0883729372925	0.27475598589	2.87236525211	17.5200944437	-35.8130852685
10	2.4950956131	-2.56056122427	0.574053869123	7.3751230767	-1.05431229474	3.76960817179	0.219832832434	0.178534651174	-0.215246291609	-0.769966407451	-0.121408452523	-0.103650116368	0.444653431359	0.207830285785	-0.0910398076094	0.459178372983	0.0177898574774	-0.0629263880017	0.33027532679	-0.0496224124041	0.29825215118	4.0727111417	-15.6528639056	6.99055269906
11	3.60912465107	-1.15893541324	-1.10154486548	7.11885039326	1.87204542843	3.47827673696	0.630133207657	0.267686970479	-0.592262460883	-0.377384208844	-0.382361418002	1.33597467684	0.175471838954	-0.00987979483392	-0.18229211723	0.632532319976	-0.12638468678	-0.205298539882	0.958960992843	0.0515616266864	1.02927263785	-13.4042499337	-10.2051943756	12.3028557075
12	1.5633582112	0.560207705182	-0.571940641377	1.70984711076	0.902971733602	4.59050530189	0.352825206996	0.154603064456	-0.0204221037644	-0.330029153586	-0.0534503994316	0.123225714995	0.652872079594	-0.737916973275	-0.246067476355	0.700996949997	-0.19049465479	-0.187339929986	0.555056723277	0.0686144550854	0.639898503394	-9.50619833969	-24.9435427994	10.8955433406
13	1.0519877982	-0.0398115532244	-0.10010417915	1.46152718614	-0.0092041988594	2.17075273614	0.123832565159	-0.141096793738	-0.265167739663	0.0338902071154	-0.123404612132	0.403355007907	0.521998674399	-0.0426857001987	0.000870387717306	0.42478478635	-0.0200545646662	-0.0653345362803	0.309126377238	0.0394723869104	0.395026290358	-3.30268629216	-18.2571313103	19.3197064829
14	1.07217237116	-0.236020434638	-0.555542454487	1.23227103297	0.00329204943501	3.77334972214	0.0659870796209	-0.225649470573	-0.061864482581	-0.00819003656387	0.0180103932895	-0.0473900535947	0.157449530907	0.149203091255	-0.0978275983981	0.181662649547	-0.0237687389923	-0.0451458487942	0.271779026052	0.0409598373777	0.234885797823	5.93316843326	-6.07920483611	29.3729035978
15	1.31958145673	-0.386156500006	0.493647578844	2.01793654149	0.522725513989	3.77529314181	0.0419594534059	-0.396484951749	-0.249232011355	0.0291686171039	0.0202176671731	0.131515894419	0.558325542549	-0.117784438064	-0.0482848874418	0.311990096437	-0.0597455511507	-0.0450813002618	0.364351610669	0.141762224713	0.322186807514	2.68448253278	-17.8218500524	34.6818643559
16	5.33776983035	-4.79847874585	0.82021103282	5.77403922609	-0.624943562286	2.70367289182	0.329505164115	0.358258971158	-0.0838171722885	-0.637576406903	-0.191984055445	0.16808748211	-0.200351900101	-0.0448284870534	-0.137021532962	0.327291219803	0.0050290517188	0.0479962619337	0.213121812919	0.0233933389882	0.249542868392	-4.59876024266	20.6655433517	6.71372683247
17	2.91824735046	0.532651021306	-0.622398493417	6.2800491511	-2.74902166865	3.56116563532	0.536221002918	-0.377223702812	0.430577863784	-0.162336985939	-0.322244365648	-0.826588700661	-0.267276738802	0.19608953611	-0.197974313362	0.603527095167	-0.117554822385	0.128578895706	0.756268408668	0.00968198718158	0.719196122778	13.286245727	14.3267734715	12.112593003
18	2.243161206	0.333922258018	0.965813736213	0.931163014162	0.656218135069	2.83088364206	-0.0620063916182	0.243442403592	-0.0600192513889	-0.43672836847	0.0430584160862	-0.32323993849	-0.485201884334	0.488054697598	0.0609569198623	0.568035742758	-0.212772581884	0.156887575198	0.548838044282	-0.0428143705665	0.538493218855	9.64671457501	29.5325848442	10.6519434701
19	1.23522978243	-0.0109309013615	-0.182113286843	1.15044577615	-0.529443953142	2.35340552164	0.0927248724202	-0.269724340505	0.183809624704	0.0594655293587	-0.0277170212577	-0.0643868003664	-0.261828949491	0.0742946151082	-0.0530536604355	0.235750727622	-0.0551793632691	0.0363049946619	0.261954551488	-0.0512863236541	0.274683857558	-2.64665723101	17.1348228992	28.6691376332
20	2.98108723481	2.23028775564	0.0242669754795	7.56723460463	-0.98865739809	3.33465050436	0.358035828737	-0.184437750963	-0.22906037585	0.803378254492	-0.156510401827	0.133841375461	0.517680370728	-0.180806915131	-0.154870936204	0.426989484866	-0.0865559082861	-0.0710400415775	0.284804063931	0.0403866421374	0.27901586553	-4.25627000111	-15.9332590436	-8.30675966387

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 'C' and (resid 42 through 70 )	C	E	42 - 70	45 - 65
2	2	chain 'C' and (resid 71 through 101 )	C	E	71 - 101	66 - 96
3	3	chain 'C' and (resid 102 through 262 )	C	E	102 - 262	97 - 253
4	4	chain 'C' and (resid 263 through 331 )	C	E	263 - 331	254 - 322
5	5	chain 'D' and (resid -2 through 41 )	D	G	-2 - 41	1 - 44
6	6	chain 'D' and (resid 42 through 75 )	D	G	42 - 75	45 - 70
7	7	chain 'D' and (resid 76 through 101 )	D	G	76 - 101	71 - 96
8	8	chain 'D' and (resid 102 through 225 )	D	G	102 - 225	97 - 218
9	9	chain 'D' and (resid 226 through 331 )	D	G	226 - 331	219 - 324
10	10	chain 'A' and (resid -2 through 42 )	A	A	-2 - 42	1 - 45
11	11	chain 'A' and (resid 43 through 70 )	A	A	43 - 70	46 - 65
12	12	chain 'A' and (resid 71 through 101 )	A	A	71 - 101	66 - 96
13	13	chain 'A' and (resid 102 through 157 )	A	A	102 - 157	97 - 150
14	14	chain 'A' and (resid 158 through 262 )	A	A	158 - 262	151 - 255
15	15	chain 'A' and (resid 263 through 331 )	A	A	263 - 331	256 - 324
16	16	chain 'B' and (resid -2 through 41 )	B	C	-2 - 41	1 - 44
17	17	chain 'B' and (resid 42 through 70 )	B	C	42 - 70	45 - 65
18	18	chain 'B' and (resid 71 through 101 )	B	C	71 - 101	66 - 96
19	19	chain 'B' and (resid 102 through 331 )	B	C	102 - 331	97 - 324
20	20	chain 'C' and (resid -2 through 41 )	C	E	-2 - 41	1 - 44

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