PDB-5ysf: Crystal structure of beta-1,2-glucooligosaccharide binding protei...

ID or keywords:

Entry

Database: PDB / ID: 5ysf

Title

Crystal structure of beta-1,2-glucooligosaccharide binding protein in complex with sophoropentaose

Components

Lin1841 protein

Keywords

SUGAR BINDING PROTEIN / solute-binding protein / protein-carbohydrate complex / beta-1 / 2-glucooligosaccharide / sophorooligosaccharide / alpha/beta domain

Function / homology

Function and homology information

maltose binding / maltose transport / maltodextrin transmembrane transport / ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing / metal ion binding
Similarity search - Function

Biological species

Listeria innocua serovar 6a

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.9 Å

Authors

Abe, K. / Nakajima, M. / Taguchi, H. / Arakawa, T. / Fushinobu, S.

Citation

Journal: J. Biol. Chem. / Year: 2018
Title: Structural and thermodynamic insights into beta-1,2-glucooligosaccharide capture by a solute-binding protein inListeria innocua.
Authors: Abe, K. / Sunagawa, N. / Terada, T. / Takahashi, Y. / Arakawa, T. / Igarashi, K. / Samejima, M. / Nakai, H. / Taguchi, H. / Nakajima, M. / Fushinobu, S.

History

Deposition	Nov 14, 2017	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	May 2, 2018	Provider: repository / Type: Initial release
Revision 1.1	Jun 20, 2018	Group: Data collection / Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 2.0	Jul 29, 2020	Group: Atomic model / Data collection ...Atomic model / Data collection / Derived calculations / Structure summary Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_struct_conn_angle / struct_asym / struct_conn / struct_conn_type / struct_site / struct_site_gen Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _entity.formula_weight / _entity.pdbx_description / _entity.pdbx_number_of_molecules / _entity.src_method / _entity.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.value / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn_type.id Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1	Nov 22, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Structure summary Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5ysf.cif.gz	335.1 KB	Display	PDBx/mmCIF format
PDB format	pdb5ysf.ent.gz	273.4 KB	Display	PDB format
PDBx/mmJSON format	5ysf.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ys/5ysf ftp://data.pdbj.org/pub/pdb/validation_reports/ys/5ysf	HTTPS FTP

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Related structure data

Related structure data	5ysbC 5ysdC 5yseSC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6zj4-d 5ysd-2 5ysd-1 4pfa-2 7c6x-8 7c6y-d 7c6v-3 4pfd-2 4gr4-4 7c6z-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	#205 - Jan 2017 Nuclear Pore Complex similarity (2) #221 - May 2018 Human Papillomavirus and Vaccines similarity (2) #243 - Mar 2020 Voltage-gated Sodium Channels similarity (2) #261 - Sep 2021 DNA-Sequencing Nanopores similarity (1) #22 - Oct 2001 Photosystem I similarity (1) #262 - Oct 2021 Fifty Years of Open Access to PDB Structures similarity (1) #29 - May 2002 Penicillin-binding Proteins similarity (1) #95 - Nov 2007 Multidrug Resistance Transporters similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#205 - Jan 2017
Nuclear Pore Complex
similarity (2)
#221 - May 2018
Human Papillomavirus and Vaccines
similarity (2)
#243 - Mar 2020
Voltage-gated Sodium Channels
similarity (2)
#261 - Sep 2021
DNA-Sequencing Nanopores
similarity (1)
#22 - Oct 2001
Photosystem I
similarity (1)
#262 - Oct 2021
Fifty Years of Open Access to PDB Structures
similarity (1)
#29 - May 2002
Penicillin-binding Proteins
similarity (1)
#95 - Nov 2007
Multidrug Resistance Transporters
similarity (1)

Deposited unit

A: Lin1841 protein

B: Lin1841 protein

hetero molecules

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

1

A: Lin1841 protein

hetero molecules

defined by author&software
Evidence: gel filtration
45.7 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Lin1841 protein

hetero molecules

defined by author&software
45.4 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	36.218, 125.988, 91.040
Angle α, β, γ (deg.)	90.00, 100.45, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Refine code	Auth asym-ID	Auth seq-ID
1	0	1	0	A	7 - 393
2	0	1	0	B	7 - 393

#1: Protein

Lin1841 protein / beta-1 / 2-glucooligosaccharide binding protein

Mass: 44582.117 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Listeria innocua serovar 6a (strain ATCC BAA-680 / CLIP 11262) (bacteria)
Strain: ATCC BAA-680 / CLIP 11262 / Gene: lin1841 / Plasmid: pET30a / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q92AS8

#2: Polysaccharide

beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D- ...

Type: oligosaccharide / Mass: 828.719 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source

Descriptor	Type	Program
DGlcpb1-2DGlcpb1-2DGlcpb1-2DGlcpb1-2DGlcpb1-ROH	Glycam Condensed Sequence	GMML 1.0
WURCS=2.0/1,5,4/[a2122h-1b_1-5]/1-1-1-1-1/a2-b1_b2-c1_c2-d1_d2-e1	WURCS	PDB2Glycan 1.1.0
[][b-D-Glcp]{[(2+1)][b-D-Glcp]{[(2+1)][b-D-Glcp]{[(2+1)][b-D-Glcp]{[(2+1)][b-D-Glcp]{}}}}}	LINUCS	PDB-CARE

#3: Chemical

ChemComp-MPD / (4S)-2-METHYL-2,4-PENTANEDIOL

Mass: 118.174 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₆H₁₄O₂ / Comment: precipitant*YM

#4: Chemical

ChemComp-MG / MAGNESIUM ION

Mass: 24.305 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: Mg

#5: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 455 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.34 Å³/Da / Density % sol: 47.4 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 5.3 / Details: 0.15M MES-NaOH, pH 5.3, 42% (v/v) MPD

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: Photon Factory / Beamline: AR-NW12A / Wavelength: 1 Å
Detector	Type: ADSC QUANTUM 270 / Detector: CCD / Date: Dec 19, 2015
Radiation	Monochromator: Numerical link type Si(111) double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.9→50 Å / Num. obs: 61562 / % possible obs: 97.5 % / Redundancy: 3.8 % / R_merge(I) obs: 0.099 / R_pim(I) all: 0.059 / Net I/σ(I): 16.2
Reflection shell	Resolution: 1.9→1.93 Å / Redundancy: 3.7 % / R_merge(I) obs: 0.545 / Mean I/σ(I) obs: 2.1 / Num. unique obs: 2964 / CC_1/2: 0.824 / R_pim(I) all: 0.323 / % possible all: 95.6

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0158	refinement
MOLREP		phasing
Coot		refinement
HKL-2000		data processing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5YSE

5yse

Resolution: 1.9→44.76 Å / Cor.coef. F_o:F_c: 0.964 / Cor.coef. F_o:F_c free: 0.945 / SU B: 6.674 / SU ML: 0.103 / Cross valid method: THROUGHOUT / ESU R: 0.151 / ESU R Free: 0.135 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.20315	3100	5 %	RANDOM
R_work	0.16631	-	-	-
obs	0.16823	58354	97.5 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å

Displacement parameters

B_iso mean: 32.853 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.03 Å²	0 Å²	-0.03 Å²
2-	-	0.01 Å²	0 Å²
3-	-	-	0.03 Å²

Refinement step

Cycle: 1 / Resolution: 1.9→44.76 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6145	0	129	455	6729

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.018	0.02	6476
X-RAY DIFFRACTION	r_bond_other_d	0.006	0.02	5855
X-RAY DIFFRACTION	r_angle_refined_deg	1.864	1.977	8791
X-RAY DIFFRACTION	r_angle_other_deg	1.065	3	13731
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.13	5	783
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.844	25.744	289
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.741	15	1109
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.798	15	13
X-RAY DIFFRACTION	r_chiral_restr	0.112	0.2	964
X-RAY DIFFRACTION	r_gen_planes_refined	0.009	0.021	7059
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	1234
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	0.646	1.13	3126
X-RAY DIFFRACTION	r_mcbond_other	0.646	1.13	3125
X-RAY DIFFRACTION	r_mcangle_it	1.029	1.691	3911
X-RAY DIFFRACTION	r_mcangle_other	1.029	1.692	3912
X-RAY DIFFRACTION	r_scbond_it	1.066	1.288	3350
X-RAY DIFFRACTION	r_scbond_other	1.066	1.289	3351
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	1.649	1.887	4881
X-RAY DIFFRACTION	r_long_range_B_refined	5.069	14.392	7418
X-RAY DIFFRACTION	r_long_range_B_other	4.996	13.967	7325
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Ens-ID: 1 / Number: 26250 / Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Rms dev position: 0.07 Å / Weight position: 0.05

Dom-ID	Auth asym-ID
1	A
2	B

LS refinement shell

Resolution: 1.9→1.949 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.261	213	-
R_work	0.237	4142	-
obs	-	-	95.38 %

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	12.9777	6.709	-3.2065	19.002	-10.4387	6.0987	0.0563	-0.309	0.9087	1.0092	-0.1162	-0.0996	-0.8328	0.2197	0.0598	0.2935	-0.1133	0.0276	0.1863	-0.0481	0.2598	21.543	27.466	11.68
2	4.1062	-0.0673	-0.6583	10.4449	0.5483	4.5874	0.0949	-0.121	0.1276	0.0236	0.0282	-0.5265	-0.0128	0.3905	-0.1231	0.0898	-0.0365	-0.0155	0.1673	0.0206	0.1976	21.961	12.727	6.775
3	2.1817	-0.873	1.8538	13.0956	-4.3864	8.4443	0.1436	0.1727	-0.2926	-0.1883	-0.103	-0.1603	0.1078	0.1943	-0.0407	0.1808	-0.02	0.0616	0.2336	0.0441	0.3325	21.237	24.792	1.91
4	3.2876	-2.4599	-3.8125	4.9954	-3.1727	16.2095	-0.0251	-0.251	0.26	0.4487	-0.2247	-0.4516	-0.3808	1.0566	0.2498	0.4613	-0.1317	-0.0135	0.2291	0.0079	0.2464	22.667	8.941	16.018
5	1.8379	1.9942	-0.0257	5.7323	-1.2661	2.2191	0.3831	-0.2441	0.3368	1.413	-0.2019	0.368	-0.3079	0.0752	-0.1812	0.4213	-0.0849	0.1246	0.1355	-0.0538	0.1872	14.627	13.437	19.796
6	5.0028	-1.6846	6.3446	6.0517	-5.0469	11.4541	0.012	-0.1194	0.3783	0.9158	-0.0274	0.817	-0.3897	-0.2138	0.0154	0.3038	0.0093	0.2969	0.1024	-0.1047	0.4438	4.813	19.632	17.305
7	4.1226	3.6714	-3.1174	11.8455	-3.0905	7.4028	0.1244	0.1578	0.816	-0.0511	0.2041	1.3593	-0.4935	-0.4303	-0.3285	0.0772	0.0221	0.006	0.1646	0.0489	0.5586	0.35	16.128	4.093
8	1.0408	-0.6918	-0.8631	7.2072	1.9057	1.7122	0.0177	0.0529	0.1386	0.4282	-0.0968	0.6816	0.041	-0.0803	0.0791	0.0484	-0.0172	0.0362	0.1146	0.0085	0.1717	9.202	1.245	6.265
9	7.5227	-4.48	-1.8511	12.8222	0.6173	8.4597	0.1744	0.4438	-0.1481	-0.9077	-0.0562	-0.1566	0.1806	0.0999	-0.1182	0.1381	-0.0388	0.0022	0.146	-0.0322	0.1035	14.082	-22.808	-5.537
10	1.0109	0.8538	-0.3475	2.7335	0.4642	1.2107	0.0518	0.0324	-0.1073	0.1757	-0.0934	-0.1615	0.0447	0.0533	0.0416	0.0878	-0.0107	-0.0073	0.1363	0.0116	0.1164	15.998	-18.253	7.859
11	0.7712	0.0634	0.6174	6.3139	-0.2592	5.6632	0.0618	-0.0866	0.0603	1.0174	-0.0701	0.8108	-0.2313	-0.3925	0.0083	0.2323	-0.0448	0.1884	0.12	-0.0217	0.1839	1.137	-11.318	21.534
12	1.8074	1.0304	-0.4429	1.4442	-0.6009	1.5259	0.0962	0.0017	-0.0711	0.1303	-0.1391	-0.2126	-0.0466	0.1329	0.0428	0.0777	-0.0056	0.0036	0.1265	0.0118	0.1394	21.761	-16.565	8.775
13	4.4124	1.0738	-1.5718	2.5191	-0.9357	1.9058	-0.0211	0.1303	0.109	-0.0707	-0.0418	-0.0747	-0.0067	0.0254	0.0629	0.0606	-0.0026	-0.011	0.1361	0.0176	0.1117	15.218	-8.388	-0.431
14	0.3628	0.8476	0.6447	10.8587	0.5349	1.6279	0.0698	-0.0871	0.1763	0.7545	-0.1645	0.5405	-0.2611	-0.0234	0.0947	0.3144	-0.0932	0.2224	0.1402	-0.0708	0.2767	11.699	17.26	14.784
15	7.8983	4.7387	4.826	13.3851	3.9752	7.0396	-0.1508	-0.0573	0.4705	-0.0991	0.1554	0.7151	-0.6262	0.0721	-0.0047	0.0839	-0.0148	0.0386	0.0531	0.0076	0.2386	11.598	24.411	6.206
16	2.9047	-0.2742	0.6256	4.5496	-0.4928	3.0625	-0.1315	0.4444	0.3222	-0.3917	-0.128	0.3058	-0.1984	0.1514	0.2595	0.103	-0.0197	-0.0761	0.1521	0.1002	0.2058	9.58	9.406	-4.744
17	2.1777	0.5721	-0.1679	3.073	-1.3862	7.0998	0.0654	0.3629	0.192	-0.2352	0.0154	0.406	-0.2466	-0.1288	-0.0808	0.0577	-0.0022	-0.0503	0.1425	0.0467	0.1753	6.484	-2.02	-4.767
18	1.4127	0.0808	0.0709	4.1412	-1.2776	1.9175	0.242	-0.065	0.0283	0.9056	-0.1657	0.1246	-0.1896	0.0848	-0.0762	0.3511	-0.075	0.0634	0.114	-0.0162	0.0823	12.135	-8.59	24.106
19	18.2519	0.9262	8.1456	14.7553	8.5394	13.0067	-0.2888	-0.5221	-0.0455	0.2165	0.281	-0.1213	-0.3142	-0.2146	0.0078	0.3475	-0.0432	0.1003	0.0817	-0.0284	0.052	6.032	-2.035	33.335
20	24.4388	-5.8858	-14.6425	2.9401	2.5663	9.38	0.0104	0.4491	0.2232	-0.2903	0.3378	0.3142	0.1547	-0.5702	-0.3482	0.5545	0.0294	-0.2136	0.3554	-0.1793	0.4916	1.908	6.98	36.559
21	2.0207	-0.0464	0.3835	6.6043	-1.7179	3.3631	0.0276	-0.093	-0.0677	0.9599	0.1031	-0.1991	0.3934	0.149	-0.1308	0.6073	0.0174	-0.117	0.1141	-0.0132	0.0952	14.631	-68.049	40.337
22	0.7412	1.0495	-1.5899	6.5727	-4.2425	5.2778	0.035	-0.1023	0.0289	0.551	-0.0847	-0.3126	0.3989	0.3196	0.0497	0.5698	0.0528	-0.0925	0.137	0.0161	0.1211	16.263	-67.128	36.495
23	1.308	-0.7429	0.5073	2.6501	0.4384	3.1948	0.1803	0.1608	-0.1146	0.1161	-0.0315	-0.056	0.6574	0.0329	-0.1488	0.3221	-0.0054	-0.0248	0.1067	-0.0099	0.1072	10.43	-64.174	24.301
24	1.9595	-2.019	-1.8034	10.5554	13.0715	34.7482	0.1468	0.0432	-0.8904	0.1415	-0.7551	0.9684	0.7814	-2.0955	0.6083	0.5231	-0.2027	0.054	0.3664	0.006	0.4558	-5.308	-73.258	32.623
25	5.7196	-1.6974	0.6969	3.8489	-0.0827	12.5817	0.0181	-0.0016	-0.0028	0.3214	0.066	0.6514	0.4262	-1.0724	-0.0841	0.2884	-0.1634	0.0855	0.2319	-0.0373	0.2378	-5.659	-60.531	33.487
26	0.2653	0.4064	0.4492	6.4616	1.9245	3.0834	0.049	-0.0632	0.0039	0.7824	-0.1405	0.2496	-0.0707	-0.2321	0.0915	0.3174	-0.0479	0.0676	0.176	0.0032	0.1033	3.965	-44.644	39.024
27	5.9902	3.2725	3.5972	6.2894	2.1527	4.8841	0.1461	-0.1938	0.1786	0.8367	-0.3078	0.0046	-0.5119	-0.1665	0.1617	0.5511	0.0033	-0.0166	0.121	-0.0268	0.0765	7.726	-25.703	39.522
28	1.2851	-0.6687	0.5459	3.1722	0.5816	3.8512	0.099	0.0165	-0.017	0.55	-0.1528	-0.2909	-0.2485	0.2568	0.0539	0.2986	-0.0482	-0.0368	0.1554	0.0342	0.1616	12.311	-36.692	32.954
29	1.1904	-0.1307	0.1486	2.9214	0.295	3.4993	-0.0311	0.0426	-0.0645	-0.0527	-0.1661	0.2386	-0.3072	-0.2809	0.1972	0.1465	0.0247	-0.0044	0.1142	-0.0182	0.0979	4.022	-35.391	20.623
30	1.9188	1.1724	-1.3481	3.2075	-1.9547	7.7538	0.0288	-0.2221	-0.2988	0.8675	-0.318	-0.7254	-0.3939	0.7603	0.2892	0.4085	-0.1117	-0.205	0.1464	0.0654	0.1763	18.905	-33.901	41.011
31	1.5311	1.1439	0.7646	4.3615	-0.9875	4.1808	0.0839	-0.227	-0.2521	1.1501	-0.2626	-0.2954	-0.1874	-0.058	0.1787	0.5569	-0.0555	-0.0243	0.1464	0.0443	0.075	8.927	-41.768	46.533
32	6.0203	-4.0762	5.1821	14.7502	-6.2865	8.5298	0.2067	0.1353	0.0906	-0.4719	-0.6553	0.4714	-0.1738	-0.487	0.4486	0.2064	0.1041	0.0181	0.2378	-0.1021	0.1771	-2.854	-35.798	30.587
33	0.1047	-0.2311	0.1099	9.2132	1.19	2.6095	0.0537	0.0251	-0.1126	0.217	-0.0588	0.2796	0.6533	0.1171	0.0051	0.422	-0.0381	-0.0316	0.1338	-0.0031	0.1307	8.206	-68.758	29.178
34	3.154	-4.9376	-1.8071	8.2599	4.3084	5.8279	-0.0664	-0.1828	-0.2661	0.8138	0.0956	0.4062	1.6443	-0.6131	-0.0291	0.9973	-0.1942	0.0702	0.2359	0.0753	0.2294	2.943	-69.342	41.999
35	4.9998	0.4436	1.3065	4.7202	-0.8325	4.115	0.0067	-0.3339	-0.3259	0.6608	-0.1275	0.299	0.3541	-0.3846	0.1208	0.5069	-0.1336	0.1458	0.1836	0.0197	0.1326	-0.785	-56.995	45.625
36	1.1634	2.5424	-2.3611	11.6485	-0.1905	11.4791	0.1044	-0.1194	-0.0304	1.1975	-0.2612	0.6213	0.2205	-0.4676	0.1568	0.7473	-0.072	0.1894	0.3473	0.0086	0.3054	-1.966	-49.47	50.796
37	3.9884	-0.2117	5.9275	1.0544	-0.6436	23.8409	-0.0642	-0.2893	-0.1854	0.5896	0.0933	0.3115	0.1145	-1.565	-0.0291	0.4502	-0.033	0.1424	0.376	-0.0078	0.2423	-3.875	-45.133	41.214
38	1.7679	0.8335	0.558	4.4216	-0.136	1.933	0.0333	0.0727	-0.0671	0.0518	-0.1293	-0.1386	0.1149	0.0324	0.096	0.1623	0.0036	0.0005	0.1348	0.0172	0.1087	11.377	-44.602	22.027
39	2.261	0.7446	-0.0849	5.3991	0.1268	2.182	0.035	0.0226	0.0238	-0.0732	-0.1397	-0.4259	-0.249	0.1379	0.1048	0.157	-0.0021	-0.0042	0.1219	0.0339	0.1301	14.192	-34.931	16.284
40	2.5762	5.5488	0.9705	15.5877	5.1446	2.9353	0.0829	0.1144	0.0175	-0.3234	0.0385	-0.0722	-0.3968	-0.1066	-0.1214	0.157	0.0708	-0.0532	0.1649	-0.0492	0.1757	7.889	-53.326	6.756

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	34 - 39
2	X-RAY DIFFRACTION	2	A	40 - 50
3	X-RAY DIFFRACTION	3	A	51 - 66
4	X-RAY DIFFRACTION	4	A	67 - 77
5	X-RAY DIFFRACTION	5	A	78 - 101
6	X-RAY DIFFRACTION	6	A	102 - 114
7	X-RAY DIFFRACTION	7	A	115 - 130
8	X-RAY DIFFRACTION	8	A	131 - 158
9	X-RAY DIFFRACTION	9	A	159 - 167
10	X-RAY DIFFRACTION	10	A	168 - 203
11	X-RAY DIFFRACTION	11	A	204 - 228
12	X-RAY DIFFRACTION	12	A	229 - 263
13	X-RAY DIFFRACTION	13	A	264 - 297
14	X-RAY DIFFRACTION	14	A	298 - 312
15	X-RAY DIFFRACTION	15	A	313 - 325
16	X-RAY DIFFRACTION	16	A	326 - 350
17	X-RAY DIFFRACTION	17	A	351 - 367
18	X-RAY DIFFRACTION	18	A	368 - 407
19	X-RAY DIFFRACTION	19	A	408 - 414
20	X-RAY DIFFRACTION	20	A	415 - 421
21	X-RAY DIFFRACTION	21	B	34 - 55
22	X-RAY DIFFRACTION	22	B	56 - 78
23	X-RAY DIFFRACTION	23	B	79 - 111
24	X-RAY DIFFRACTION	24	B	112 - 119
25	X-RAY DIFFRACTION	25	B	120 - 131
26	X-RAY DIFFRACTION	26	B	132 - 167
27	X-RAY DIFFRACTION	27	B	168 - 184
28	X-RAY DIFFRACTION	28	B	185 - 205
29	X-RAY DIFFRACTION	29	B	206 - 236
30	X-RAY DIFFRACTION	30	B	237 - 262
31	X-RAY DIFFRACTION	31	B	263 - 291
32	X-RAY DIFFRACTION	32	B	292 - 297
33	X-RAY DIFFRACTION	33	B	298 - 316
34	X-RAY DIFFRACTION	34	B	317 - 331
35	X-RAY DIFFRACTION	35	B	332 - 349
36	X-RAY DIFFRACTION	36	B	350 - 357
37	X-RAY DIFFRACTION	37	B	358 - 367
38	X-RAY DIFFRACTION	38	B	368 - 391
39	X-RAY DIFFRACTION	39	B	392 - 408
40	X-RAY DIFFRACTION	40	B	409 - 422

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