PDB-3ifc: Human muscle fructose-1,6-bisphosphatase E69Q mutant in complex w...

ID or keywords:

Entry

Database: PDB / ID: 3ifc

Title

Human muscle fructose-1,6-bisphosphatase E69Q mutant in complex with AMP and alpha fructose-6-phosphate

Components

Fructose-1,6-bisphosphatase isozyme 2

Keywords

HYDROLASE / gluconeogenesis / glyconeogenesis / muscle fructose-1 / 6-bisphosphatase / protein engineering / calcium inhibition / Allosteric enzyme / Carbohydrate metabolism / Magnesium / Metal-binding / Phosphoprotein

Function / homology

Function and homology information

sucrose biosynthetic process / fructose-bisphosphatase / fructose 1,6-bisphosphate 1-phosphatase activity / Gluconeogenesis / fructose 6-phosphate metabolic process / fructose metabolic process / fructose 1,6-bisphosphate metabolic process / anchoring junction / gluconeogenesis / Z disc ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.97 Å

Authors

Kolodziejczyk, R. / Zarzycki, M. / Jaskolski, M. / Dzugaj, A.

Citation

Journal: Acta Crystallogr.,Sect.D / Year: 2011
Title: Structure of E69Q mutant of human muscle fructose-1,6-bisphosphatase
Authors: Zarzycki, M. / Kolodziejczyk, R. / Maciaszczyk-Dziubinska, E. / Wysocki, R. / Jaskolski, M. / Dzugaj, A.

History

Deposition	Jul 24, 2009	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Aug 11, 2010	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Mar 13, 2013	Group: Database references / Refinement description
Revision 1.3	Nov 1, 2017	Group: Advisory / Refinement description / Category: pdbx_unobs_or_zero_occ_atoms / software / Item: _software.name
Revision 1.4	Jul 29, 2020	Group: Data collection / Database references / Derived calculations Category: chem_comp / pdbx_chem_comp_identifier ...chem_comp / pdbx_chem_comp_identifier / struct_ref_seq_dif / struct_site / struct_site_gen Item: _chem_comp.mon_nstd_flag / _chem_comp.type / _struct_ref_seq_dif.details Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 1.5	Nov 1, 2023	Group: Advisory / Data collection ...Advisory / Data collection / Database references / Refinement description / Structure summary Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_unobs_or_zero_occ_atoms Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	3ifc.cif.gz	519 KB	Display	PDBx/mmCIF format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/if/3ifc ftp://data.pdbj.org/pub/pdb/validation_reports/if/3ifc	HTTPS FTP

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Related structure data

Related structure data	3ifaC 1fj6S 1eyj 1eyk C: citing same article (ref.) S: Starting model for refinement
Similar structure data	3ifa-2 1fpi-1 1fpj-1 5q0c-2 5q02-d 4h46-1 6ls5-d 1fpe-1 5q0c-1 1frp-1 1fbp-1 1fpd-1 5pzw-d 1kz8-1 5q08-2 3kbz-d 5pzy-2 1fta-d 5pzx-2 5pzu-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

Related structure data

C: citing same article (ref.)

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#50 - Feb 2004 Glycolytic Enzymes similarity (1) #129 - Sep 2010 Isocitrate Dehydrogenase similarity (1) #154 - Oct 2012 Citric Acid Cycle similarity (1) #24 - Dec 2001 Glycogen Phosphorylase similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1)

Deposited unit

A: Fructose-1,6-bisphosphatase isozyme 2

B: Fructose-1,6-bisphosphatase isozyme 2

C: Fructose-1,6-bisphosphatase isozyme 2

D: Fructose-1,6-bisphosphatase isozyme 2

hetero molecules

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

1

A: Fructose-1,6-bisphosphatase isozyme 2

B: Fructose-1,6-bisphosphatase isozyme 2

hetero molecules

A: Fructose-1,6-bisphosphatase isozyme 2

B: Fructose-1,6-bisphosphatase isozyme 2

hetero molecules

defined by author&software
151 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Fructose-1,6-bisphosphatase isozyme 2

D: Fructose-1,6-bisphosphatase isozyme 2

hetero molecules

C: Fructose-1,6-bisphosphatase isozyme 2

D: Fructose-1,6-bisphosphatase isozyme 2

hetero molecules

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

Unit cell

Length a, b, c (Å)	218.14, 234.54, 71.75
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	21
Space group name H-M	C222

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Protein / Sugars , 2 types, 8 molecules ABCD

#1: Protein

Fructose-1,6-bisphosphatase isozyme 2 / FBPase 2 / D-fructose-1 / 6-bisphosphate 1-phosphohydrolase 2

Mass: 36665.910 Da / Num. of mol.: 4 / Mutation: E69Q
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Homo sapiens (human) / Gene: 8789 / Plasmid: pKK223-3 / Production host:

Escherichia coli (E. coli) / Strain (production host): XL2-blue / References: UniProt: O00757, fructose-bisphosphatase

#3: Sugar

ChemComp-P6P / 6-O-phosphono-alpha-D-fructofuranose / alpha fructose-6-phosphate / 6-O-phosphono-alpha-D-fructose / 6-O-phosphono-D-fructose / 6-O-phosphono-fructose

Type: D-saccharide, alpha linking / Mass: 260.136 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Formula: C₆H₁₃O₉P

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Non-polymers , 4 types, 721 molecules

#2: Chemical	ChemComp-AMP / ADENOSINE MONOPHOSPHATE Mass: 347.221 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₀H₁₄N₅O₇P / Comment: AMP*YM
#4: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: SO₄
#5: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₃H₈O₃
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 702 / Source method: isolated from a natural source / Formula: H₂O

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Details

Sequence details	THE SEQUENCE OF THE PROTEIN BASED ON REFERENCE 1 AND 4 OF UNIPROTKB/SWISS-PROT O00757 (F16P2_HUMAN). ...THE SEQUENCE OF THE PROTEIN BASED ON REFERENCE 1 AND 4 OF UNIPROTKB/SWISS-PROT O00757 (F16P2_HUMAN). V85L IS NATURAL VARIANT OF F16P2_HUMAN.

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.13 Å³/Da / Density % sol: 60.69 %
Crystal grow	Temperature: 292 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 1.6M ammonium sulfate, 0.1M MES pH 6.5, 10% 1,4-dioxane, crystal soaked with 5mM D-fructose-6-phosphate dipotassium salt, VAPOR DIFFUSION, HANGING DROP, temperature 292K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: BESSY / Beamline: 14.1 / Wavelength: 0.91841 Å
Detector	Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Aug 1, 2008 Details: two mirrors and double crystal monochromator between them
Radiation	Monochromator: Si-111 crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.91841 Å / Relative weight: 1
Reflection	Resolution: 1.97→50 Å / Num. all: 130416 / Num. obs: 119283 / % possible obs: 91.5 % / Observed criterion σ(I): -2 / Redundancy: 4.3 % / B_iso Wilson estimate: 23.1 Å² / R_merge(I) obs: 0.07 / Net I/σ(I): 18
Reflection shell	Resolution: 1.97→2.04 Å / Redundancy: 2.2 % / R_merge(I) obs: 0.376 / Mean I/σ(I) obs: 2.1 / Num. unique all: 6314 / % possible all: 48.8

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Processing

Software

Name	Version	Classification
MAR345	CCD	data collection
MOLREP		phasing
REFMAC	5.5.0089	refinement
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1fj6

1fj6

Resolution: 1.97→50 Å / Cor.coef. F_o:F_c: 0.965 / Cor.coef. F_o:F_c free: 0.954 / SU B: 7.071 / SU ML: 0.089 / Cross valid method: Rfree / σ(I): -2 / ESU R: 0.127 / ESU R Free: 0.12 / Stereochemistry target values: Engh & Huber / Details: Hydrogen atoms were added at riding positions

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.19711	1334	1.1 %	RANDOM
R_work	0.16672	-	-	-
all	0.16706	130416	-	-
obs	0.16706	117923	91.75 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK

Displacement parameters

B_iso mean: 33.016 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-2.92 Å²	0 Å²	0 Å²
2-	-	-0.11 Å²	0 Å²
3-	-	-	3.03 Å²

Refinement step

Cycle: LAST / Resolution: 1.97→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9776	0	237	702	10715

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.02	0.022	10038
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	6665
X-RAY DIFFRACTION	r_angle_refined_deg	1.739	2.009	13654
X-RAY DIFFRACTION	r_angle_other_deg	1.018	3	16317
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.369	5	1301
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.487	24.919	370
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.961	15	1654
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	12.47	15	38
X-RAY DIFFRACTION	r_chiral_restr	0.103	0.2	1595
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.021	11037
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	1869
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0.854	1.5	6389
X-RAY DIFFRACTION	r_mcbond_other	0.245	1.5	2640
X-RAY DIFFRACTION	r_mcangle_it	1.483	2	10242
X-RAY DIFFRACTION	r_scbond_it	2.451	3	3649
X-RAY DIFFRACTION	r_scangle_it	3.796	4.5	3399
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 1.97→2.076 Å / Total num. of bins used: 10

	R_factor	Num. reflection	% reflection
R_free	0.305	124	-
R_work	0.265	10417	-
obs	-	10417	56.38 %

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	7.4361	0.8183	0.5618	3.9232	-0.1615	2.8965	-0.0818	0.8366	0.0888	-0.5332	0.1115	0.0925	-0.0454	0.0538	-0.0297	0.2991	-0.0255	-0.1133	0.1978	0.03	0.1632	-18.3121	-62.2291	17.3492
2	3.6779	0.2932	1.7343	1.6006	0.3907	1.6782	-0.1354	-0.1181	0.3237	0.179	0.046	0.0884	-0.1826	-0.0676	0.0893	0.1479	0.0002	-0.0248	0.0603	0.0056	0.0727	-10.5124	-63.8165	37.2498
3	2.5884	1.0865	0.0531	1.5675	0.914	1.6022	-0.0405	-0.3747	0.0715	0.285	-0.0178	0.1151	0.0187	-0.0476	0.0583	0.2021	0.0268	-0.0108	0.1492	0.0164	0.1055	-19.3054	-69.5736	39.6662
4	9.6856	0.1535	-4.4507	1.6596	1.012	7.0713	0.1188	0.7096	0.482	-0.1142	-0.1019	0.9755	-0.1147	-1.3083	-0.0169	0.1605	-0.0133	-0.0821	0.2857	0.0453	0.6437	-35.5103	-74.1155	29.7325
5	2.4051	0.7904	-0.9592	1.9593	0.0548	1.837	-0.097	0.3249	-0.0907	-0.1059	0.0862	0.2848	0.0127	-0.2056	0.0108	0.1196	0.0011	-0.0411	0.0545	-0.0122	0.0779	-18.3127	-75.8816	27.2121
6	3.8237	4.7704	3.066	9.5895	5.7134	5.7525	0.0122	0.0718	0.126	-0.1875	-0.0122	-0.1234	-0.0934	-0.0564	0	0.1536	0.0073	-0.0305	0.12	0.0395	0.053	-7.2031	-66.8767	22.2876
7	1.9136	-0.2989	0.3163	3.917	-1.1724	2.5004	-0.0593	0.0854	-0.1558	-0.156	-0.0102	-0.1022	0.2299	0.0494	0.0695	0.0787	-0.0208	-0.0005	0.0785	-0.0137	0.0264	-5.6203	-96.0984	28.7282
8	1.7318	-2.0892	-0.2452	5.872	1.4092	3.6343	-0.155	0.1417	-0.0496	-0.0167	0.0208	0.0967	0.0576	0.0485	0.1342	0.0454	-0.0465	-0.0014	0.0634	0.0089	0.0093	-2.3003	-89.6346	27.5872
9	3.2649	-0.8571	-0.3946	3.1093	0.0852	2.0794	-0.1	-0.1435	0.0149	0.1701	0.0943	0.2029	0.0087	0.0308	0.0057	0.0765	-0.0219	-0.0162	0.0736	-0.004	0.0319	-15.4227	-87.9884	32.2256
10	0.8828	-0.7879	-0.2422	3.3403	1.2151	1.3884	-0.0625	0.087	-0.1698	0.0423	-0.0267	0.4228	0.1742	-0.1353	0.0892	0.0775	-0.0242	-0.0193	0.1246	-0.0107	0.0732	-18.1768	-93.4435	26.4131
11	3.6937	0.3027	1.6602	1.9848	-0.6104	6.5451	-0.1086	-0.1698	0.2702	-0.0161	0.0626	0.5828	0.0249	-0.6703	0.046	0.2458	-0.024	-0.1205	0.1609	0.0519	0.2772	-22.2825	-52.3321	23.1892
12	4.333	-0.9901	1.3594	1.3753	-0.7053	2.2522	-0.0417	0.1352	0.0585	-0.1722	0.056	-0.1787	0.0521	0.0989	-0.0143	0.1982	-0.0259	-0.0511	0.0684	0.0117	0.0819	-0.6021	-50.5771	26.463
13	9.1759	-4.9108	5.5982	2.6506	-3.0118	3.4434	-0.0291	0.3572	0.3732	-0.0307	-0.2147	-0.2561	0.0231	0.2954	0.2438	0.3013	0.0053	-0.0009	0.2886	0.0209	0.2303	5.2879	-48.7674	20.6105
14	2.3058	-0.6023	-0.0708	2.9364	0.0688	3.5989	-0.0535	0.4532	0.157	-0.4917	0.0808	-0.0629	-0.1101	0.1821	-0.0273	0.2639	-0.0297	-0.0598	0.1648	0.0841	0.1186	-7.3119	-42.6607	13.0979
15	1.5123	-0.0411	0.2287	1.9272	-0.3734	2.5723	0.01	0.2342	0.1321	-0.2406	0.0995	0.2551	-0.0729	-0.1616	-0.1095	0.1323	-0.0146	-0.0988	0.0929	0.0592	0.1549	-14.5489	-39.3079	21.6307
16	9.4345	-7.2763	1.343	8.6931	-2.2891	1.544	-0.0726	-0.046	0.0875	0.134	0.0497	0.0722	0.0724	-0.0977	0.0229	0.1458	-0.0174	-0.0138	0.1145	0.0135	0.0981	-14.2316	-48.6943	34.4182
17	4.9892	2.0455	-0.4706	3.822	-0.9388	1.8716	0.0083	0.0104	0.4303	0.0907	0.005	0.0397	-0.2761	-0.0255	-0.0133	0.1502	0.0289	-0.0997	0.072	0.0187	0.2323	-7.3259	-17.6654	31.6136
18	3.8665	0.0689	0.5017	5.5821	0.7525	1.6233	0.0411	-0.1941	0.466	0.0259	0.0073	0.1005	-0.2179	-0.1485	-0.0484	0.1249	-0.0017	-0.0776	0.0869	0.0318	0.1923	-7.8449	-22.0241	36.7748
19	2.8718	1.034	-0.5581	3.0741	0.9506	2.6564	-0.0502	0.0734	0.254	-0.1871	0.0644	0.0463	-0.0033	0.1246	-0.0142	0.1157	0.0108	-0.0947	0.104	0.0933	0.2074	-9.9313	-27.4444	23.5585
20	1.8531	-0.3807	-0.8339	2.9479	0.8887	2.9188	0.0324	0.0943	0.4129	-0.3324	0.046	0.0905	-0.3167	-0.0717	-0.0783	0.1333	-0.0056	-0.1083	0.1299	0.1099	0.2653	-13.9613	-20.0824	21.3511
21	2.9247	0.9247	-0.2565	9.6407	3.2082	4.8826	0.0358	-0.4729	0.0901	0.7712	-0.0493	-0.0206	0.0503	0.0508	0.0135	0.2109	0.0094	0.0094	0.2344	-0.069	0.2036	-46.1301	-102.6633	20.9927
22	1.0527	1.2728	0.2665	3.9939	4.7409	9.4753	-0.02	-0.0925	0.1175	0.0549	-0.092	0.2313	-0.0782	0.0246	0.112	0.1092	0.0101	-0.0131	0.1337	-0.0237	0.1836	-44.8031	-96.1728	11.2126
23	2.0781	2.2041	3.856	4.5579	5.1438	7.7925	-0.1624	0.2195	0.0978	-0.6897	0.0061	0.1181	-0.5361	0.1035	0.1564	0.1447	0.0155	-0.0257	0.3339	0.0215	0.1455	-44.3618	-111.2129	-9.4068
24	3.2908	-0.5068	-1.6064	9.2933	4.9568	9.2741	-0.2896	0.533	0.0135	-0.6144	-0.0898	0.3848	-0.098	-0.0336	0.3794	0.1557	-0.0466	-0.0873	0.1607	-0.0132	0.12	-41.9223	-97.6299	-3.0198
25	5.0501	0.2931	-1.0503	4.2606	0.4941	4.1756	0.0034	0.2586	0.5999	-0.2566	-0.0478	0.1474	-0.5414	-0.0803	0.0444	0.1966	-0.0381	-0.1068	0.0979	0.0133	0.1692	-38.2816	-88.4495	2.4725
26	1.6432	-1.3761	-0.0427	10.2916	3.4873	1.3058	0.1103	0.4284	0.066	-0.8439	0.089	-0.5866	-0.2797	0.1651	-0.1994	0.2028	-0.0163	0.0159	0.2411	-0.0114	0.1396	-31.8053	-107.6623	-2.8534
27	3.0736	1.2363	-0.4426	5.098	-2.4047	5.1404	-0.2357	-0.1357	1.0269	0.2672	0.1919	0.1288	-1.0414	0.0224	0.0438	0.3175	-0.0632	-0.0951	0.1461	-0.0494	0.3783	-31.9968	-84.0516	8.4919
28	2.3941	0.0229	0.1313	0.8042	0.4271	1.3456	-0.0704	-0.0589	-0.0818	0.0615	0.066	0.0655	0.0469	0.2042	0.0044	0.0884	-0.0084	0.0042	0.1265	-0.0192	0.0151	-23.5083	-111.4127	9.8105
29	2.7336	-0.7858	-0.526	3.2011	-0.5951	3.225	-0.0642	0.1766	0.1998	-0.2009	0.0913	0.1166	-0.0989	0.1671	-0.0272	0.064	-0.0679	-0.0178	0.16	-0.023	0.0521	-20.8011	-102.4472	6.3182
30	2.9051	-0.7181	0.9107	1.6345	-0.2508	2.4863	-0.0915	0.1733	0.4249	-0.01	0.0379	-0.1376	-0.1866	0.5195	0.0536	0.0856	-0.0697	-0.0041	0.204	-0.0266	0.0789	-14.4253	-100.205	10.9756
31	3.4298	0.8602	-0.603	4.2832	1.5856	5.1451	-0.0482	-0.0619	0.5696	-0.0908	-0.0082	0.2807	-0.7667	0.0335	0.0563	0.1734	-0.0083	-0.0175	0.2032	-0.1247	0.2608	-55.9463	-96.0674	14.2454
32	1.1915	-0.8466	-0.7518	1.8263	1.8697	3.2696	-0.1079	-0.1577	-0.2416	0.2253	-0.0455	0.17	0.3724	0.0269	0.1533	0.1283	-0.0014	0.0243	0.1681	-0.0428	0.162	-58.2853	-120.5826	12.1661
33	1.988	-1.1912	-0.7103	2.0385	-1.7526	4.0981	-0.2127	-0.2833	-0.149	0.1585	0.2014	0.095	0.2685	-0.0998	0.0113	0.2823	-0.0696	0.0156	0.3013	-0.0622	0.1784	-64.5782	-113.37	22.958
34	2.2535	-0.3022	-0.7809	2.0243	0.1664	3.8836	-0.0499	-0.4234	0.1373	0.3216	-0.0005	0.1434	-0.1795	0.0094	0.0504	0.0861	0.0118	0.0163	0.1591	-0.1119	0.1735	-68.5646	-104.3156	17.993
35	6.1234	-5.1367	-2.1647	11.0734	0.1595	3.0786	0.0146	-0.0481	0.0106	0.0902	0.0111	-0.072	0.0187	0.0729	-0.0258	0.1273	-0.0135	-0.0104	0.1511	-0.0142	0.1321	-55.8093	-106.6194	2.4202
36	4.0047	1.1498	-0.1796	1.9018	0.1268	1.2018	-0.0862	0.0199	0.0453	-0.062	-0.0404	0.1884	-0.0228	-0.0968	0.1266	0.1116	0.033	0.0046	0.0931	-0.1124	0.1802	-85.6305	-108.2744	4.6354
37	6.0684	-0.3881	0.6646	3.1903	0.4488	1.814	-0.1099	0.03	0.1144	-0.1644	0.0457	0.3846	-0.2093	-0.2334	0.0642	0.1106	0.0043	0.0005	0.095	-0.0844	0.1966	-87.6621	-109.2025	0.0893
38	2.9327	0.2982	0.6009	1.9219	-0.2975	3.2191	0.0535	-0.2209	-0.0382	0.048	-0.0752	0.1416	0.2189	0.0674	0.0217	0.103	0.0255	0.0469	0.1172	-0.116	0.2146	-81.06	-109.303	12.9777
39	2.6122	-0.1208	0.8229	1.7431	-0.6191	2.4939	-0.0342	-0.4148	0.1356	0.1293	-0.0223	0.2825	-0.0791	-0.0877	0.0565	0.1129	0.013	0.0655	0.1443	-0.121	0.2122	-83.0539	-104.2091	16.7565
40	9.5303	1.3868	-0.6371	8.6102	-1.0338	7.691	-0.0495	-0.024	0.1748	0.0343	0.1469	0.5914	-0.0226	-0.6808	-0.0973	0.1608	0.0525	0.002	0.1641	-0.0902	0.2248	-96.8476	-102.2734	10.7683

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	9 - 31
2	X-RAY DIFFRACTION	2	A	32 - 56
3	X-RAY DIFFRACTION	3	A	57 - 137
4	X-RAY DIFFRACTION	4	A	138 - 149
5	X-RAY DIFFRACTION	5	A	150 - 178
6	X-RAY DIFFRACTION	6	A	179 - 198
7	X-RAY DIFFRACTION	7	A	199 - 232
8	X-RAY DIFFRACTION	8	A	233 - 257
9	X-RAY DIFFRACTION	9	A	258 - 289
10	X-RAY DIFFRACTION	10	A	290 - 337
11	X-RAY DIFFRACTION	11	B	9 - 33
12	X-RAY DIFFRACTION	12	B	34 - 56
13	X-RAY DIFFRACTION	13	B	57 - 85
14	X-RAY DIFFRACTION	14	B	86 - 147
15	X-RAY DIFFRACTION	15	B	148 - 184
16	X-RAY DIFFRACTION	16	B	185 - 200
17	X-RAY DIFFRACTION	17	B	201 - 228
18	X-RAY DIFFRACTION	18	B	229 - 254
19	X-RAY DIFFRACTION	19	B	255 - 295
20	X-RAY DIFFRACTION	20	B	296 - 336
21	X-RAY DIFFRACTION	21	C	9 - 26
22	X-RAY DIFFRACTION	22	C	27 - 39
23	X-RAY DIFFRACTION	23	C	40 - 71
24	X-RAY DIFFRACTION	24	C	72 - 88
25	X-RAY DIFFRACTION	25	C	89 - 117
26	X-RAY DIFFRACTION	26	C	118 - 136
27	X-RAY DIFFRACTION	27	C	137 - 155
28	X-RAY DIFFRACTION	28	C	156 - 257
29	X-RAY DIFFRACTION	29	C	258 - 291
30	X-RAY DIFFRACTION	30	C	292 - 335
31	X-RAY DIFFRACTION	31	D	9 - 34
32	X-RAY DIFFRACTION	32	D	35 - 85
33	X-RAY DIFFRACTION	33	D	86 - 130
34	X-RAY DIFFRACTION	34	D	131 - 184
35	X-RAY DIFFRACTION	35	D	185 - 195
36	X-RAY DIFFRACTION	36	D	196 - 224
37	X-RAY DIFFRACTION	37	D	225 - 254
38	X-RAY DIFFRACTION	38	D	255 - 289
39	X-RAY DIFFRACTION	39	D	290 - 324
40	X-RAY DIFFRACTION	40	D	325 - 336

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