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

ID or keywords:

Entry

Database: PDB / ID: 3ifa

Title

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

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

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

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.93 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
Revision 1.3	Nov 1, 2017	Group: Advisory / Refinement description / Category: pdbx_unobs_or_zero_occ_atoms / software / Item: _software.name
Revision 1.4	Nov 1, 2023	Group: Advisory / Data collection ...Advisory / Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_unobs_or_zero_occ_atoms / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3ifa.cif.gz	521.3 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	3ifa_validation.pdf.gz	1.9 MB	Display	wwPDB validaton report
Full document	3ifa_full_validation.pdf.gz	1.9 MB	Display
Data in XML	3ifa_validation.xml.gz	54.5 KB	Display
Data in CIF	3ifa_validation.cif.gz	77.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/if/3ifa ftp://data.pdbj.org/pub/pdb/validation_reports/if/3ifa	HTTPS FTP

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Related structure data

Related structure data	3ifcC 1fj6S 1eyj 1eyk C: citing same article (ref.) S: Starting model for refinement
Similar structure data	5et6-1 1fpl-1 2vt5-2 6ls5-d 5q01-2 1frp-1 5pzq-d 5zwk-d 3ifc-1 5q05-1 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

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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

150 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
150 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)	218.11, 234.26, 71.94
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	21
Space group name H-M	C222

#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
#2: Chemical	ChemComp-AMP / ADENOSINE MONOPHOSPHATE Mass: 347.221 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₀H₁₄N₅O₇P / Comment: AMP*YM
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 13 / Source method: obtained synthetically / Formula: SO₄
#4: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₃H₈O₃
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 650 / Source method: isolated from a natural source / Formula: H₂O
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: 60.74 %
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, 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: 1.93→50 Å / Num. all: 138317 / Num. obs: 128249 / % possible obs: 92.7 % / Observed criterion σ(I): -2 / Redundancy: 4.5 % / B_iso Wilson estimate: 26 Å² / R_merge(I) obs: 0.059 / Net I/σ(I): 22
Reflection shell	Resolution: 1.93→2.01 Å / Redundancy: 2.6 % / R_merge(I) obs: 0.364 / Mean I/σ(I) obs: 2.1 / Num. unique all: 7828 / % possible all: 57.2

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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: 1.93→50 Å / Cor.coef. F_o:F_c: 0.968 / Cor.coef. F_o:F_c free: 0.958 / SU B: 7.001 / SU ML: 0.09 / Cross valid method: Rfree / σ(I): -2 / ESU R: 0.118 / ESU R Free: 0.114 / Stereochemistry target values: Engh & Huber / Details: Hydrogen atoms were added at riding positions

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.1989	1289	1 %	RANDOM
R_work	0.16815	-	-	-
all	0.16847	138317	-	-
obs	0.16847	126899	92.03 %	-

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: 35.861 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-2.13 Å²	0 Å²	0 Å²
2-	-	-0.99 Å²	0 Å²
3-	-	-	3.12 Å²

Refinement step

Cycle: LAST / Resolution: 1.93→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9825	0	193	650	10668

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.02	0.022	10074
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	6708
X-RAY DIFFRACTION	r_angle_refined_deg	1.697	2.004	13689
X-RAY DIFFRACTION	r_angle_other_deg	1.011	3	16431
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.277	5	1311
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.399	24.743	369
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.837	15	1687
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	16.113	15	41
X-RAY DIFFRACTION	r_chiral_restr	0.103	0.2	1602
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.021	11092
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	1889
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	0.845	1.5	6430
X-RAY DIFFRACTION	r_mcbond_other	0.248	1.5	2655
X-RAY DIFFRACTION	r_mcangle_it	1.505	2	10316
X-RAY DIFFRACTION	r_scbond_it	2.58	3	3644
X-RAY DIFFRACTION	r_scangle_it	4.104	4.5	3358
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 1.925→2.029 Å / Total num. of bins used: 10

	R_factor	Num. reflection	% reflection
R_free	0.26	102	-
R_work	0.248	11626	-
obs	-	11626	58.28 %

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	8.3437	1.3214	0.9693	3.9509	-0.0622	2.2994	-0.0501	0.8305	0.1277	-0.446	0.042	0.0324	-0.0618	0.0533	0.0082	0.3175	-0.0352	-0.1247	0.2327	0.0599	0.1455	-18.1893	-62.1064	17.3238
2	5.2277	0.1635	3.3236	1.4294	0.1802	2.678	-0.1423	-0.0295	0.3297	0.1101	0.0572	0.1154	-0.1303	0.0124	0.0851	0.2027	0.0044	-0.0327	0.1276	-0.0045	0.0703	-10.5264	-63.6971	37.3838
3	2.9337	2.2909	0.5721	2.6807	1.3508	1.5599	0.0405	-0.4071	0.0948	0.3298	-0.0642	0.1205	0.1015	-0.0261	0.0237	0.2775	0.0799	0.0118	0.2795	0.0069	0.1143	-20.1724	-68.3838	41.056
4	9.8077	-0.0843	3.564	1.7225	0.7095	2.682	-0.0997	-0.2913	0.0155	0.1554	0.0433	0.0373	-0.0276	-0.0694	0.0563	0.2033	-0.0159	-0.0212	0.1127	0.0244	0.0771	-15.0553	-74.8208	33.9643
5	5.0583	0.9981	-1.3772	3.4644	-0.1381	3.9814	-0.109	0.4387	-0.0175	-0.0003	-0.0542	1.0224	0.181	-0.8204	0.1631	0.1826	-0.0336	-0.0487	0.2787	-0.0273	0.3654	-32.02	-77.5773	28.7386
6	2.0908	0.6909	0.1183	3.2867	0.565	1.798	-0.1032	0.2464	0.234	-0.3734	0.0901	-0.0762	-0.1932	0.0449	0.013	0.2022	-0.0114	-0.0503	0.1599	0.0299	0.0537	-8.1765	-70.8529	23.4041
7	2.8008	0.5331	-0.6255	4.3389	-1.9397	4.5713	-0.0305	-0.0114	-0.2779	-0.0326	-0.0478	-0.0421	0.255	0.0461	0.0782	0.1459	-0.0037	-0.026	0.1315	-0.0145	0.037	-5.9292	-98.4972	31.2898
8	1.9344	-2.0906	0.2293	7.5639	0.9813	3.2475	-0.16	0.16	-0.0847	0.0044	0.0552	0.1547	0.0728	0.0675	0.1048	0.0938	-0.0541	-0.0099	0.1285	0.0131	0.014	-1.8717	-90.8765	27.8448
9	3.5212	-1.2368	-0.459	2.8691	-0.1148	2.106	-0.1053	-0.1553	0.0534	0.1892	0.0701	0.2664	-0.0103	0.0461	0.0353	0.1502	-0.0413	-0.0226	0.1262	-0.0066	0.0517	-15.6004	-87.6872	31.9075
10	0.913	-0.9572	-0.1664	3.9046	1.3919	1.214	-0.0638	0.0742	-0.2282	0.0754	-0.0367	0.5149	0.1971	-0.1257	0.1005	0.1507	-0.0375	-0.0245	0.1813	-0.0068	0.0949	-18.261	-93.578	26.7967
11	4.0547	-0.3233	1.5222	2.4092	-1.4606	6.7393	-0.131	-0.193	0.3451	0.0011	0.0294	0.4979	0.0335	-0.5546	0.1016	0.2571	-0.0388	-0.1336	0.1917	0.0473	0.2874	-22.5513	-52.0541	23.7461
12	2.6523	-1.9238	1.603	1.5057	-1.266	2.2118	0.0135	0.2494	0.3549	-0.1716	-0.1028	-0.2819	0.059	0.2875	0.0893	0.3422	-0.0671	-0.0178	0.2103	0.0082	0.2076	3.9982	-49.4817	24.9294
13	2.8376	-0.4171	0.6877	2.2374	-0.1453	3.9316	-0.067	0.3835	0.1914	-0.4203	0.1026	-0.2429	-0.1209	0.2441	-0.0356	0.299	-0.0248	-0.0598	0.2278	0.1172	0.177	-5.3448	-43.7647	14.2868
14	4.0169	-0.5738	-0.8465	3.7552	-1.1584	5.0933	-0.0525	0.8107	0.3178	-0.9395	0.0147	0.4103	0.1855	-0.5354	0.0378	0.4335	-0.0495	-0.1598	0.3743	0.1565	0.2914	-15.7575	-38.7064	7.2451
15	2.124	-0.9894	0.4851	2.0088	-0.7551	2.5784	-0.0467	0.1324	0.3318	-0.1085	0.0472	0.234	-0.0729	-0.1735	-0.0006	0.1536	-0.014	-0.1015	0.1425	0.0686	0.2183	-14.982	-40.3434	26.2864
16	9.5283	-6.4383	1.0021	8.5617	-2.2122	1.5533	-0.0249	-0.0054	0.0411	0.109	-0.0253	0.0948	0.0739	-0.0638	0.0502	0.208	-0.0123	-0.0265	0.1789	0.0156	0.1426	-14.2247	-48.554	34.597
17	3.941	1.7677	-0.1892	4.1903	-0.8619	1.9039	-0.0051	0.0259	0.521	0.1353	-0.0283	-0.0124	-0.2883	-0.0085	0.0335	0.2058	0.0271	-0.1166	0.1538	0.0314	0.4036	-7.4513	-17.3081	31.8436
18	4.5413	-0.4243	0.1919	7.4478	2.7659	2.5972	-0.0326	-0.1752	0.438	0.1078	0.0257	0.1889	-0.1154	-0.1375	0.007	0.1742	0.0149	-0.0967	0.1681	0.0698	0.2833	-8.5456	-23.7162	36.8506
19	1.1175	-0.1128	-0.3881	2.396	0.7041	2.34	-0.0576	0.1606	0.4137	-0.3155	0.0544	0.0534	-0.061	0.0592	0.0032	0.1957	-0.0089	-0.1235	0.1838	0.1512	0.3596	-11.5303	-25.4832	21.1451
20	5.3305	0.9429	-0.0387	9.3419	0.6491	2.0201	0.088	0.2258	0.4303	0.0741	0.1328	0.1021	-0.47	-0.0251	-0.2208	0.2717	0.0082	-0.0416	0.2596	0.0582	0.375	-14.9987	-10.4303	25.0594
21	1.6527	0.2059	0.4048	3.0599	2.0073	2.9172	-0.0599	-0.0316	0.1676	0.0037	-0.0343	0.2312	-0.0922	0.0247	0.0941	0.1026	0.0021	-0.0118	0.1646	-0.0515	0.2059	-45.1766	-104.7539	5.6472
22	3.9176	0.1364	-1.1467	7.7757	3.1808	7.6914	-0.1455	0.5703	0.0033	-0.6461	-0.1844	0.2633	-0.1748	-0.0244	0.3299	0.199	-0.0279	-0.1009	0.206	-0.0278	0.1558	-41.702	-97.6414	-3.2984
23	3.9265	0.5445	-0.6028	3.798	-0.1722	4.2797	0.0188	0.2455	0.5745	-0.2321	-0.0793	0.2272	-0.5216	-0.0688	0.0604	0.2483	-0.0361	-0.1257	0.1539	-0.0096	0.2235	-38.3268	-88.2435	2.6236
24	0.8115	-1.2313	-0.7166	10.3352	4.8949	2.4462	0.0289	0.19	0.0346	-0.6671	0.1321	-0.4433	-0.2199	0.1588	-0.1609	0.2309	0.0307	0.0071	0.3333	0.0083	0.1937	-32.0529	-106.4118	-1.7009
25	2.703	0.5328	0.6446	4.348	-2.2393	5.031	-0.2136	-0.0041	0.9477	0.3733	0.0935	0.1809	-0.9658	0.0933	0.1201	0.31	-0.0566	-0.0641	0.194	-0.0646	0.3581	-31.1809	-86.0191	10.4956
26	3.2717	0.4438	0.1923	0.8321	0.3234	1.5317	-0.0832	-0.2561	-0.1247	0.1355	-0.0161	0.2514	0.0804	-0.0537	0.0994	0.1544	-0.0016	0.035	0.1527	-0.018	0.1108	-33.0631	-111.1636	12.6829
27	2.2374	1.9865	-1.2597	5.5088	-2.4524	6.5702	-0.1263	0.2908	-0.1842	0.0112	0.1757	-0.2585	0.0091	0.6941	-0.0494	0.093	-0.0039	0.0066	0.4672	-0.0889	0.0289	-5.8693	-112.3202	4.3301
28	5.7301	-0.6006	0.6094	1.6654	1.1437	3.6339	-0.022	-0.0278	-0.0919	0.1228	0.0106	0.18	0.1892	0.1177	0.0114	0.1185	-0.0199	0.0176	0.154	-0.0429	0.0344	-20.4292	-115.7157	8.4413
29	2.1992	-0.5536	0.4898	2.8553	-0.7258	1.3157	-0.0892	0.1882	0.3275	-0.1866	0.0331	0.0294	-0.1868	0.2531	0.056	0.1513	-0.0785	-0.0277	0.2172	-0.0111	0.0675	-19.683	-99.1454	7.27
30	9.145	3.1046	-4.1511	3.0332	-1.945	4.6015	0.0355	0.0345	-0.0531	0.0695	-0.0421	-0.2157	-0.033	0.3454	0.0066	0.1807	0.005	-0.0257	0.2454	-0.0327	0.0849	-7.329	-106.1257	14.6976
31	3.0722	0.1332	-1.0446	4.3579	1.5998	7.1593	-0.0025	-0.0019	0.4859	-0.1015	0.0105	0.3296	-0.7121	-0.0755	-0.0079	0.2133	-0.0155	-0.0151	0.2584	-0.1703	0.3465	-55.7752	-94.7785	13.8075
32	1.3691	-0.4797	-0.4449	3.055	1.7738	3.2376	-0.0838	-0.1686	-0.1628	-0.0215	0.0076	0.2424	0.0356	0.1659	0.0762	0.1128	-0.0066	0.0296	0.2172	-0.1015	0.2298	-57.3704	-116.1345	10.5411
33	1.9037	-1.0857	-0.9762	2.4424	0.3839	1.6048	-0.0894	-0.2701	-0.2189	0.3036	0.0076	0.2341	0.3617	-0.0155	0.0817	0.2415	-0.0153	0.0862	0.3311	-0.0859	0.2507	-61.8856	-116.9516	21.1877
34	1.2571	-0.1616	0.5562	6.943	6.4811	8.9727	0.0393	0.0329	-0.1568	0.2766	-0.0092	0.0663	0.5865	-0.1507	-0.0301	0.1427	0.0022	0.0512	0.2252	-0.0973	0.2852	-69.07	-114.4646	11.5895
35	2.4091	-0.1412	-0.7932	2.0612	-0.1908	2.8117	-0.0534	-0.4829	0.151	0.369	-0.0172	0.2239	-0.2667	-0.0247	0.0706	0.1659	0.0144	0.0308	0.24	-0.1598	0.3079	-68.523	-103.2816	18.3065
36	9.7943	-4.4616	-1.6888	3.4476	0.5879	0.3304	0.0968	0.142	0.1984	-0.0301	-0.0915	-0.0342	-0.0637	-0.0011	-0.0053	0.219	-0.0101	-0.0411	0.2255	-0.0719	0.2422	-63.1346	-101.7769	2.4546
37	5.2807	1.8626	-1.2917	5.2148	-0.2717	1.9598	-0.1767	-0.0218	-0.2466	0.0293	-0.0457	0.3303	0.1856	-0.2811	0.2224	0.1454	0.0124	0.0148	0.2062	-0.1973	0.3978	-91.4044	-113.2628	5.588
38	5.5722	-0.3564	0.1122	3.8284	0.5365	1.3697	0.0172	0.0224	0.07	-0.1662	-0.0109	0.4446	-0.142	-0.2468	-0.0063	0.1712	0.0114	0.0122	0.1668	-0.152	0.3606	-87.2941	-109.0018	0.22
39	2.2779	-0.1883	0.7537	1.9476	-0.2675	2.1872	0.0352	-0.2045	-0.0334	0.0431	-0.0971	0.236	0.1887	0.0323	0.0618	0.1698	0.0226	0.0713	0.1975	-0.1722	0.3445	-80.7094	-108.4756	13.12
40	3.4176	-0.4263	1.2018	2.1418	-0.9397	3.3998	-0.0421	-0.4236	0.0843	0.0431	0.0131	0.3972	-0.0806	-0.3049	0.029	0.1857	0.0139	0.0906	0.2052	-0.1961	0.3849	-87.4417	-104.0881	15.4975

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	8 - 31
2	X-RAY DIFFRACTION	2	A	32 - 56
3	X-RAY DIFFRACTION	3	A	57 - 125
4	X-RAY DIFFRACTION	4	A	126 - 140
5	X-RAY DIFFRACTION	5	A	141 - 162
6	X-RAY DIFFRACTION	6	A	163 - 203
7	X-RAY DIFFRACTION	7	A	204 - 230
8	X-RAY DIFFRACTION	8	A	231 - 257
9	X-RAY DIFFRACTION	9	A	258 - 290
10	X-RAY DIFFRACTION	10	A	291 - 336
11	X-RAY DIFFRACTION	11	B	8 - 34
12	X-RAY DIFFRACTION	12	B	35 - 80
13	X-RAY DIFFRACTION	13	B	81 - 135
14	X-RAY DIFFRACTION	14	B	136 - 155
15	X-RAY DIFFRACTION	15	B	156 - 184
16	X-RAY DIFFRACTION	16	B	185 - 200
17	X-RAY DIFFRACTION	17	B	201 - 229
18	X-RAY DIFFRACTION	18	B	230 - 258
19	X-RAY DIFFRACTION	19	B	259 - 325
20	X-RAY DIFFRACTION	20	B	326 - 336
21	X-RAY DIFFRACTION	21	C	9 - 70
22	X-RAY DIFFRACTION	22	C	71 - 88
23	X-RAY DIFFRACTION	23	C	89 - 117
24	X-RAY DIFFRACTION	24	C	118 - 138
25	X-RAY DIFFRACTION	25	C	139 - 162
26	X-RAY DIFFRACTION	26	C	163 - 212
27	X-RAY DIFFRACTION	27	C	213 - 234
28	X-RAY DIFFRACTION	28	C	235 - 259
29	X-RAY DIFFRACTION	29	C	260 - 320
30	X-RAY DIFFRACTION	30	C	321 - 335
31	X-RAY DIFFRACTION	31	D	9 - 31
32	X-RAY DIFFRACTION	32	D	32 - 56
33	X-RAY DIFFRACTION	33	D	57 - 125
34	X-RAY DIFFRACTION	34	D	126 - 139
35	X-RAY DIFFRACTION	35	D	140 - 184
36	X-RAY DIFFRACTION	36	D	185 - 204
37	X-RAY DIFFRACTION	37	D	205 - 224
38	X-RAY DIFFRACTION	38	D	225 - 255
39	X-RAY DIFFRACTION	39	D	256 - 292
40	X-RAY DIFFRACTION	40	D	293 - 336

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