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

ID or keywords:

Entry

Database: PDB / ID: 5ysd

Title

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

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: 2.1 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 / _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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PDBx/mmCIF format	5ysd.cif.gz	333.3 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	5ysd_validation.pdf.gz	1.2 MB	Display	wwPDB validaton report
Full document	5ysd_full_validation.pdf.gz	1.2 MB	Display
Data in XML	5ysd_validation.xml.gz	32.2 KB	Display
Data in CIF	5ysd_validation.cif.gz	45.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ys/5ysd ftp://data.pdbj.org/pub/pdb/validation_reports/ys/5ysd	HTTPS FTP

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Related structure data

Related structure data	5ysbC 5yseSC 5ysfC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	5yse-1 7c6z-1 5ysf-1 5ysf-2 7c6x-8 6zj4-d 7c6l-1 2zym-d 7c6t-d 2gh9-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

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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

90.8 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
45.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Lin1841 protein

hetero molecules

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

Unit cell

Length a, b, c (Å)	36.082, 125.561, 91.780
Angle α, β, γ (deg.)	90.00, 101.61, 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 - 392
2	0	1	0	B	7 - 392

#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)-alpha-D-glucopyranose

Type: oligosaccharide / Mass: 504.438 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source

Descriptor	Type	Program
DGlcpb1-2DGlcpb1-2DGlcpa1-ROH	Glycam Condensed Sequence	GMML 1.0
WURCS=2.0/2,3,2/[a2122h-1a_1-5][a2122h-1b_1-5]/1-2-2/a2-b1_b2-c1	WURCS	PDB2Glycan 1.1.0
[][a-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.: 5 / 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.: 286 / 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: 47.32 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 5.5 / Details: 0.15M MES-NaOH, pH 5.5, 50% (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: 2.1→50 Å / Num. obs: 44909 / % possible obs: 96.5 % / Redundancy: 3.6 % / R_merge(I) obs: 0.116 / R_pim(I) all: 0.071 / Net I/σ(I): 12.4
Reflection shell	Resolution: 2.1→2.14 Å / Redundancy: 3.5 % / R_merge(I) obs: 0.639 / Num. unique obs: 2234 / CC_1/2: 0.697 / R_pim(I) all: 0.389 / % possible all: 96.5

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Processing

Software

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

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5YSE

5yse

Resolution: 2.1→44.95 Å / Cor.coef. F_o:F_c: 0.962 / Cor.coef. F_o:F_c free: 0.942 / Cross valid method: THROUGHOUT / ESU R: 0.231 / ESU R Free: 0.176 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.20732	2264	5 %	RANDOM
R_work	0.16942	-	-	-
obs	0.17139	42614	96.43 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 56.682 Å²

	B_aniso -1	B_aniso -2
1-	0 Å²	0 Å²
2-	-	0 Å²
3-	-	-

Refinement step

Cycle: 1 / Resolution: 2.1→44.95 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6135	0	109	286	6530

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.019	0.02	6407
X-RAY DIFFRACTION	r_bond_other_d	0	0.02	5828
X-RAY DIFFRACTION	r_angle_refined_deg	1.851	1.973	8687
X-RAY DIFFRACTION	r_angle_other_deg	3.704	3	13643
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.046	5	776
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	38.631	25.804	286
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	16.44	15	1101
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.968	15	12
X-RAY DIFFRACTION	r_chiral_restr	0.111	0.2	945
X-RAY DIFFRACTION	r_gen_planes_refined	0.009	0.021	6994
X-RAY DIFFRACTION	r_gen_planes_other	0.013	0.02	1222
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	0.872	1.465	3107
X-RAY DIFFRACTION	r_mcbond_other	0.871	1.465	3106
X-RAY DIFFRACTION	r_mcangle_it	1.44	2.193	3882
X-RAY DIFFRACTION	r_mcangle_other	1.44	2.193	3883
X-RAY DIFFRACTION	r_scbond_it	1.197	1.644	3300
X-RAY DIFFRACTION	r_scbond_other	1.197	1.645	3301
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	1.93	2.403	4806
X-RAY DIFFRACTION	r_long_range_B_refined	4.102	17.652	7263
X-RAY DIFFRACTION	r_long_range_B_other	4.103	17.657	7264
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: 25838 / 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: 2.101→2.155 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.233	165	-
R_work	0.228	3081	-
obs	-	-	95.16 %

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	2.8613	1.1175	1.4865	10.3161	2.1761	6.4571	-0.1551	-0.1035	0.2019	0.3463	0.3464	-0.1335	-0.0492	0.3556	-0.1913	0.0415	-0.0187	0.0049	0.2091	0.0032	0.1674	3.62	18.071	9.06
2	2.2143	-1.7747	-0.072	35.2156	-7.3858	10.5859	0.3016	-0.071	0.2531	-0.6847	0.087	-0.4001	0.4162	0.3933	-0.3886	0.0752	-0.0189	0.0622	0.1881	-0.0091	0.1953	3.741	19.215	0.123
3	0.8523	0.2075	0.2765	9.1465	-3.4881	3.9631	0.0687	0.012	-0.0345	0.0364	-0.3372	-0.6895	-0.1432	0.3323	0.2686	0.0391	-0.0296	0.0442	0.1682	0.0358	0.1725	4.244	19.148	7.7
4	3.8935	8.0064	2.4498	21.4916	5.6148	7.3147	-0.0756	-0.2655	0.4364	0.5132	-0.3708	0.4991	-0.6818	0.6234	0.4464	0.4187	-0.0671	-0.0442	0.2887	-0.0491	0.206	0.699	14.074	24.207
5	0.1546	0.5771	0.2585	4.3483	-0.5829	1.5474	0.075	-0.0168	0.0215	0.7856	-0.0215	0.229	-0.1913	-0.0639	-0.0536	0.229	-0.0059	0.1046	0.1955	-0.0197	0.1852	-7.488	14.173	17.57
6	0.6085	-1.3639	-3.396	7.7515	3.7421	22.9285	0.164	0.122	0.0407	-0.3831	-0.0198	0.4021	-0.9345	-0.7797	-0.1442	0.059	0.0747	-0.0211	0.2212	0.0484	0.4105	-17.208	23.345	6.171
7	0.0809	0.3275	-0.0047	2.9675	0.2056	0.8199	0.0114	0.0522	0.0444	0.1409	-0.0599	0.4296	-0.0175	-0.1056	0.0486	0.0413	-0.015	0.0411	0.1869	0.0013	0.1776	-10.85	3.32	5.76
8	8.2884	-1.5325	-3.2682	2.0426	4.2656	9.0386	-0.0427	0.2092	-0.086	-0.0446	-0.1059	0.0929	0.0767	-0.2604	0.1486	0.2427	-0.0251	-0.0094	0.1401	0.0074	0.184	-7.138	-21.781	-1.839
9	1.1679	-0.9208	-0.9619	4.5748	1.6423	1.3611	-0.0431	0.005	-0.0583	0.2103	0.0478	-0.2413	0.1043	0.0814	-0.0047	0.0665	-0.0036	0.0149	0.1676	0.0241	0.1137	-0.62	-18.104	8.427
10	1.4891	-0.2692	1.3826	4.3981	-0.1189	7.0011	-0.0464	-0.1606	0.0075	0.7198	-0.0283	0.5358	-0.2047	-0.6432	0.0747	0.1481	-0.0093	0.1378	0.2172	-0.0044	0.1957	-17.405	-10.977	21.631
11	1.1686	-0.3173	0.1361	1.7478	-0.6809	0.902	-0.0156	-0.0344	-0.0055	0.0946	-0.0386	-0.146	0.0331	0.1279	0.0541	0.0437	-0.0107	0.0302	0.1618	-0.006	0.1276	2.522	-14.894	8.453
12	7.1296	2.0317	-1.9925	7.7652	2.8597	5.0972	0.0054	0.2802	0.1538	-0.5256	-0.0916	-0.3801	-0.0101	0.1638	0.0861	0.0959	0.0248	0.0496	0.1996	0.0819	0.1356	4.22	-6.987	-5.594
13	10.7904	1.4877	-7.1927	4.9529	-3.9111	7.3677	-0.0403	0.1162	-0.0099	-0.0649	0.0181	0.1944	0.2274	-0.2438	0.0223	0.0566	-0.0248	0.027	0.197	-0.0283	0.1576	-14.876	-13.617	5.786
14	1.4438	2.9272	-0.1209	12.8531	1.4912	1.0623	0.151	-0.189	0.113	0.5129	-0.0979	0.2913	-0.199	0.041	-0.0531	0.1248	-0.0072	0.0706	0.1914	-0.0231	0.1292	-6.537	16.342	14.261
15	4.7031	5.2069	4.4901	11.4223	6.3159	10.0891	-0.1651	0.1333	0.3115	-0.1138	-0.0673	0.6392	-0.7217	0.1023	0.2324	0.0827	0.0201	0.0235	0.1353	0.0166	0.1874	-6.574	24.035	5.381
16	3.3938	-1.0116	0.3067	5.9283	-0.4984	2.4766	0.0219	0.2299	0.3121	-0.5872	-0.0899	0.2404	0.0297	0.083	0.068	0.097	0.0001	-0.0176	0.1748	0.0606	0.1356	-7.767	9.546	-3.762
17	19.1161	0.3967	0.5436	21.875	8.9517	10.8506	-0.2129	0.9307	-0.2856	0.182	0.584	-0.9505	0.4961	0.3059	-0.371	0.191	0.0033	-0.0744	0.1805	0.0131	0.1536	-10.888	6.067	-11.262
18	1.6092	-0.0845	-0.7862	2.3025	-0.5828	9.3545	0.0934	0.163	-0.0841	-0.4404	-0.1645	0.4206	-0.3052	-0.2657	0.071	0.1358	0.0232	-0.0448	0.184	-0.0008	0.1912	-11.995	-2.623	-3.816
19	1.3865	0.1783	0.1865	3.3466	-1.16	0.7488	0.124	-0.108	-0.0505	0.646	-0.1029	0.0136	-0.1266	0.0698	-0.021	0.2355	-0.0219	0.0554	0.1752	-0.0102	0.0773	-5.748	-8.582	24.122
20	7.3311	-12.4603	-4.9897	23.8779	9.0018	3.6507	0.1695	-0.3995	0.3335	-0.0312	0.0485	-0.3936	0.002	-0.1309	-0.2181	0.5341	-0.0891	0.131	0.7062	-0.0027	0.2353	-13.9	1.08	33.593
21	2.52	0.1837	-0.6756	4.928	0.8232	6.249	-0.0484	-0.0755	0.1741	0.6372	0.0636	-0.7101	0.7816	0.5804	-0.0151	0.479	0.0193	-0.0708	0.2364	0.0493	0.1591	-3.685	-67.288	40.173
22	1.4863	2.0502	-2.7087	14.9557	-8.0961	6.7738	-0.092	-0.0887	-0.0181	1.1441	-0.2165	-0.8021	-0.0153	0.2555	0.3085	0.4344	0.0008	-0.102	0.2012	0.0315	0.109	-3.369	-68.218	39.432
23	3.271	-0.465	1.0846	2.3106	-2.8343	3.6534	0.1305	0.1112	0.0045	-0.4142	-0.1924	-0.1684	0.6702	0.3086	0.0619	0.5252	0.0898	-0.0299	0.3498	0.009	0.4315	-2.085	-64.95	25.817
24	0.4098	0.5898	-1.0092	4.0805	-1.301	3.8111	0.0477	0.0431	0.0422	-0.171	0.0202	0.1254	0.5286	-0.2602	-0.0679	0.3588	-0.0564	-0.0228	0.2385	0.0067	0.1683	-12.953	-63.92	24.263
25	13.8451	-6.3041	-10.3457	17.0859	20.8645	35.5122	-0.2624	-0.0751	-0.6806	0.7364	0.0724	0.9674	1.2244	-0.7784	0.19	0.371	-0.201	0.0557	0.4881	0.0892	0.3037	-24.421	-72.643	33.941
26	5.449	-2.4166	0.1316	3.82	-1.2158	11.3596	0.1493	0.1398	-0.1758	0.3093	-0.3222	0.646	0.3586	-1.0506	0.173	0.2126	-0.1507	0.0768	0.3608	-0.0281	0.2777	-24.182	-61.841	34.745
27	3.3616	1.4679	6.8357	11.4609	9.8477	18.5562	0.0737	-0.005	-0.0821	-0.5629	-0.2604	0.8226	-0.2672	-0.487	0.1867	0.1876	-0.0398	-0.0476	0.4257	0.1191	0.3402	-20.597	-61.448	23.759
28	0.0806	0.1085	0.0665	6.5748	1.4382	1.4532	0.0149	-0.1161	-0.0298	0.5582	-0.0203	0.1029	-0.1408	-0.0868	0.0053	0.3042	-0.0431	0.0625	0.2442	0.0123	0.1022	-13.141	-45.541	40.945
29	4.1264	2.5407	3.6578	5.0343	8.5289	16.0981	0.1932	-0.2972	-0.0949	0.4708	-0.43	0.3883	-0.2404	-0.7605	0.2368	0.8249	0.0399	0.3267	0.2251	-0.0339	0.2805	-16.319	-27.229	43.849
30	0.4452	0.3137	-0.0868	3.0824	0.262	2.4617	-0.0172	-0.0405	-0.0436	0.4129	-0.065	-0.109	-0.2884	0.0439	0.0821	0.1873	-0.0076	0.0179	0.1462	0.0148	0.0955	-8.072	-34.123	32.656
31	5.005	-2.1442	-0.4562	8.8861	1.1318	0.2817	0.1495	-0.2524	-0.1993	1.5015	-0.2119	-0.3175	0.029	0.046	0.0624	0.7374	-0.0834	-0.0459	0.2872	0.1119	0.1606	-8.227	-42.025	51.506
32	1.0245	-2.4784	0.1227	7.4963	-0.33	1.5788	0.2081	0.0209	-0.1485	-0.2715	-0.2732	0.5967	0.2601	-0.1881	0.0651	0.1913	-0.0675	0.0285	0.202	0.0056	0.1291	-14.059	-57.356	30.914
33	3.022	-6.5682	-3.8106	14.4016	8.3431	5.4084	-0.3969	-0.1786	-0.2308	1.052	0.4025	0.6235	1.1663	-0.0664	-0.0055	0.9085	-0.2309	-0.1455	0.4025	0.1453	0.4422	-15.453	-69.917	41.983
34	3.3013	-0.3422	5.7106	10.7014	1.9533	11.0446	0.069	-0.4219	-0.2255	1.2872	-0.0411	0.4637	0.1506	-0.5257	-0.0279	0.4872	-0.1299	0.0647	0.4144	0.1365	0.255	-15.596	-57.057	46.582
35	9.2421	3.2987	0.7711	14.268	7.3857	15.7931	0.3565	-0.3546	-0.1655	0.9414	-0.1836	0.521	0.2693	-1.1379	-0.1728	0.2927	-0.1012	0.1679	0.315	0.1054	0.2114	-24.935	-56.093	47.049
36	1.5781	0.369	-4.0612	8.1624	-0.9803	11.1439	0.0886	-0.0766	0.0599	1.4137	-0.1195	0.5853	-0.3835	-0.312	0.0309	0.5773	-0.0128	0.166	0.5064	-0.0619	0.289	-20.697	-45.686	47.598
37	19.6682	-1.569	-2.1702	8.0112	3.461	10.1325	0.3549	-0.196	-0.6787	0.6431	-0.4182	0.2504	0.4619	-1.2366	0.0634	0.1444	-0.0322	0.0983	0.2933	0.0207	0.1626	-23.426	-45.874	35.456
38	1.4753	1.1179	0.3797	5.5347	-0.7018	1.2898	0.0497	0.0391	0.0036	-0.1453	-0.1538	-0.2414	-0.0043	0.0698	0.1042	0.1106	0.0219	0.0555	0.1569	0.0233	0.0951	-5.339	-40.605	20.447
39	7.4996	7.574	5.1164	17.6852	12.3278	8.6002	0.2366	0.2288	-0.2007	-0.1229	-0.0418	-0.2971	-0.0942	-0.0354	-0.1947	0.2004	0.0451	0.0644	0.1862	-0.0058	0.1801	-8.165	-47.269	9.977
40	12.5569	7.5131	6.5831	17.5574	7.792	7.8841	-0.2984	0.3092	0.162	-0.7911	0.4641	0.1955	-0.8423	-0.1314	-0.1657	0.131	0.0198	0.0153	0.1738	-0.0444	0.2146	-11.611	-57.985	4.046

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	34 - 48
2	X-RAY DIFFRACTION	2	A	49 - 55
3	X-RAY DIFFRACTION	3	A	56 - 74
4	X-RAY DIFFRACTION	4	A	75 - 86
5	X-RAY DIFFRACTION	5	A	87 - 110
6	X-RAY DIFFRACTION	6	A	111 - 121
7	X-RAY DIFFRACTION	7	A	122 - 158
8	X-RAY DIFFRACTION	8	A	159 - 171
9	X-RAY DIFFRACTION	9	A	172 - 203
10	X-RAY DIFFRACTION	10	A	204 - 227
11	X-RAY DIFFRACTION	11	A	228 - 268
12	X-RAY DIFFRACTION	12	A	269 - 286
13	X-RAY DIFFRACTION	13	A	287 - 296
14	X-RAY DIFFRACTION	14	A	297 - 312
15	X-RAY DIFFRACTION	15	A	313 - 326
16	X-RAY DIFFRACTION	16	A	327 - 346
17	X-RAY DIFFRACTION	17	A	347 - 351
18	X-RAY DIFFRACTION	18	A	352 - 368
19	X-RAY DIFFRACTION	19	A	369 - 407
20	X-RAY DIFFRACTION	20	A	408 - 420
21	X-RAY DIFFRACTION	21	B	34 - 54
22	X-RAY DIFFRACTION	22	B	55 - 75
23	X-RAY DIFFRACTION	23	B	76 - 93
24	X-RAY DIFFRACTION	24	B	94 - 113
25	X-RAY DIFFRACTION	25	B	114 - 118
26	X-RAY DIFFRACTION	26	B	119 - 130
27	X-RAY DIFFRACTION	27	B	131 - 139
28	X-RAY DIFFRACTION	28	B	140 - 158
29	X-RAY DIFFRACTION	29	B	159 - 171
30	X-RAY DIFFRACTION	30	B	172 - 268
31	X-RAY DIFFRACTION	31	B	269 - 287
32	X-RAY DIFFRACTION	32	B	289 - 317
33	X-RAY DIFFRACTION	33	B	318 - 329
34	X-RAY DIFFRACTION	34	B	330 - 341
35	X-RAY DIFFRACTION	35	B	342 - 352
36	X-RAY DIFFRACTION	36	B	353 - 362
37	X-RAY DIFFRACTION	37	B	363 - 368
38	X-RAY DIFFRACTION	38	B	369 - 405
39	X-RAY DIFFRACTION	39	B	406 - 415
40	X-RAY DIFFRACTION	40	B	416 - 422

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