PDB-3gvk: Crystal structure of endo-neuraminidase NF mutant

ID or keywords:

Entry

Database: PDB / ID: 3gvk

Title

Crystal structure of endo-neuraminidase NF mutant

Components

Endo-N-acetylneuraminidase

Keywords

HYDROLASE / endo neuraminidase / polysialic acid / triple-beta helix / Glycosidase

Function / homology

Function and homology information

endo-alpha-sialidase / endo-alpha-(2,8)-sialidase activity / symbiont entry into host cell via disruption of host cell glycocalyx / virus tail, fiber / symbiont entry into host cell via disruption of host cell envelope / symbiont entry into host / adhesion receptor-mediated virion attachment to host cell / metabolic process / virion attachment to host cell / identical protein binding
Similarity search - Function

Biological species

Enterobacteria phage K1F (virus)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 1.84 Å

Authors

Schulz, E.C. / Dickmanns, A. / Ficner, R.

Citation

Journal: J.Mol.Biol. / Year: 2010
Title: Structural basis for the recognition and cleavage of polysialic acid by the bacteriophage K1F tailspike protein EndoNF.
Authors: Schulz, E.C. / Schwarzer, D. / Frank, M. / Stummeyer, K. / Muhlenhoff, M. / Dickmanns, A. / Gerardy-Schahn, R. / Ficner, R.

History

Deposition	Mar 31, 2009	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Mar 2, 2010	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Dec 5, 2018	Group: Data collection / Category: diffrn_radiation_wavelength / diffrn_source / Item: _diffrn_source.pdbx_synchrotron_site
Revision 2.0	Jul 29, 2020	Group: Advisory / Atomic model ...Advisory / 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 / pdbx_validate_close_contact / 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.occupancy / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _entity.formula_weight / _entity.pdbx_description / _entity.pdbx_number_of_molecules / _entity.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_validate_close_contact.auth_asym_id_1 / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_seq_id_1 / _pdbx_validate_close_contact.auth_seq_id_2 / _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	Oct 13, 2021	Group: Database references / Structure summary / Category: chem_comp / database_2 / struct_ref_seq_dif Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	3gvk.cif.gz	451 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	3gvk_validation.pdf.gz	3.3 MB	Display	wwPDB validaton report
Full document	3gvk_full_validation.pdf.gz	3.3 MB	Display
Data in XML	3gvk_validation.xml.gz	41.3 KB	Display
Data in CIF	3gvk_validation.cif.gz	74.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/gv/3gvk ftp://data.pdbj.org/pub/pdb/validation_reports/gv/3gvk	HTTPS FTP

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Related structure data

Related structure data	3gvjC 3gvlC C: citing same article (ref.)
Similar structure data	3gvj-1 1v0e-2 3ju4-1 1v0f-1 3gvl-1 1v0f-2 1v0e-1 4hiz-d 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	#113 - May 2009 Influenza Neuraminidase similarity (1) #219 - Mar 2018 Vacuolar ATPase similarity (1) #231 - Mar 2019 Measles Virus Proteins similarity (1) #131 - Nov 2010 Inteins similarity (1) #72 - Dec 2005 ATP Synthase similarity (1)

Deposited unit

A: Endo-N-acetylneuraminidase

B: Endo-N-acetylneuraminidase

C: Endo-N-acetylneuraminidase

hetero molecules

231 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	90.400, 153.700, 157.800
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C

NCS domain segments:

Component-ID: 1 / Ens-ID: 1 / Refine code: 2 / Auth seq-ID: 245 - 910 / Label seq-ID: 245 - 910

Dom-ID	Auth asym-ID	Label asym-ID
1	A	A
2	B	B
3	C	C

#1: Protein

Endo-N-acetylneuraminidase / Endo-alpha-sialidase / Gp17 protein

Mass: 74475.391 Da / Num. of mol.: 3 / Fragment: residues 246-910 / Mutation: H350A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Enterobacteria phage K1F (virus) / Gene: sia, 17, 17.0 / Production host:

Escherichia coli (E. coli)
References: UniProt: Q858B1, UniProt: Q04830*PLUS, endo-alpha-sialidase

#2: Polysaccharide

N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-beta-neuraminic acid

Type: oligosaccharide / Mass: 891.780 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source

Descriptor	Type	Program
DNeup5Aca2-8DNeup5Aca2-8DNeup5Acb2-	Glycam Condensed Sequence	GMML 1.0
WURCS=2.0/2,3,2/[Aad21122h-2b_2-6_5NCC/3=O][Aad21122h-2a_2-6_5NCC/3=O]/1-2-2/a8-b2_b8-c2	WURCS	PDB2Glycan 1.1.0
[][b-D-Neup5Ac]{[(8+2)][a-D-Neup5Ac]{[(8+2)][a-D-Neup5Ac]{}}}	LINUCS	PDB-CARE

#3: Polysaccharide

N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-beta-neuraminic acid

Type: oligosaccharide / Mass: 600.525 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source

Descriptor	Type	Program
DNeup5Aca2-8DNeup5Acb2-	Glycam Condensed Sequence	GMML 1.0
WURCS=2.0/2,2,1/[Aad21122h-2b_2-6_5NCC/3=O][Aad21122h-2a_2-6_5NCC/3=O]/1-2/a8-b2	WURCS	PDB2Glycan 1.1.0
[][b-D-Neup5Ac]{[(8+2)][a-D-Neup5Ac]{}}	LINUCS	PDB-CARE

#4: Chemical

ChemComp-NA / SODIUM ION

Mass: 22.990 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Na

#5: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 2130 / 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: 2.45 Å³/Da / Density % sol: 49.86 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.2 Details: Crystals were grown at 20 C in sitting drop vapour diffusion plates combining equal volumes of precipitant (20% (w/v) PEG 8000, 0.1M Tris/HCl, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

EMBL/DESY, HAMBURG

/ Beamline: X13

Detector

Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Oct 30, 2007

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Relative weight: 1

Reflection

Resolution: 1.84→19.815 Å / Num. obs: 189954 / % possible obs: 99.8 % / Observed criterion σ(I): -3 / R_merge(I) obs: 0.092

Reflection shell

Resolution (Å)	Highest resolution (Å)	R_merge(I) obs	Mean I/σ(I) obs	% possible all
1.84-1.9		0.276	6.9	99.9
1.9-2		0.206	9	99.9
2-2.1		0.165	11	100
2.1-2.2		0.139	12.7	99.9
2.2-2.3		0.123	14.1	99.9
2.3-2.4		0.114	14.9	99.9
2.4-2.5		0.105	16	100
2.5-3		0.091	18.1	99.9
3-4		0.079	21.4	100
4-6		0.075	22.5	99.9
6-10		0.072	22.2	100
	10	0.071	21.4	82.7

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
MOLREP		phasing
REFMAC	5.5.0039	refinement
PDB_EXTRACT	3.006	data extraction
MAR345dtb		data collection
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.84→15 Å / Cor.coef. F_o:F_c: 0.958 / Cor.coef. F_o:F_c free: 0.945 / Occupancy max: 1 / Occupancy min: 0.2 / SU B: 5.209 / SU ML: 0.075 / Cross valid method: THROUGHOUT / ESU R: 0.206 / ESU R Free: 0.169 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: U VALUES : RESIDUAL ONLY

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.28228	9487	5 %	RANDOM
R_work	0.2648	-	-	-
obs	0.26567	180257	100 %	-

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: 22.019 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.44 Å²	0 Å²	0 Å²
2-	-	-1.28 Å²	0 Å²
3-	-	-	0.84 Å²

Refinement step

Cycle: LAST / Resolution: 1.84→15 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	15528	0	492	2130	18150

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.008	0.021	16730
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.423	1.962	22874
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.554	5	2058
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	33.136	23.693	815
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	11.916	15	2448
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	13.808	15	111
X-RAY DIFFRACTION	r_chiral_restr	0.153	0.2	2493
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.021	13134
X-RAY DIFFRACTION	r_gen_planes_other
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	0.324	1.5	9940
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.6	2	16135
X-RAY DIFFRACTION	r_scbond_it	0.906	3	6790
X-RAY DIFFRACTION	r_scangle_it	1.437	4.5	6697
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Dom-ID: 1 / Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
A	2541	tight positional	0.6	0.05
B	2541	tight positional	0.51	0.05
C	2541	tight positional	0.56	0.05
A	2377	medium positional	0.66	0.5
B	2377	medium positional	0.57	0.5
C	2377	medium positional	0.61	0.5
A	2541	tight thermal	5.38	0.5
B	2541	tight thermal	2.52	0.5
C	2541	tight thermal	3.78	0.5
A	2377	medium thermal	5.04	2
B	2377	medium thermal	2.49	2
C	2377	medium thermal	3.59	2

LS refinement shell

Resolution: 1.84→1.887 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.402	686	-
R_work	0.4	13042	-
obs	-	-	100 %

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	2.3831	0.6957	1.1184	0.4959	-0.5823	5.8241	-0.2225	0.1632	0.0487	-0.1158	-0.0048	0.0433	-0.4538	0.4195	0.2273	0.1549	-0.0351	-0.0367	0.0364	0.0313	0.0896	16.2003	51.2299	-43.3468
2	0.7514	0.1389	0.0343	0.1399	-0.1428	0.6233	-0.0202	0.0609	0.0437	-0.0526	-0.0067	-0.0288	-0.054	0.096	0.027	0.0835	-0.0202	-0.0036	0.0831	0.0126	0.0787	14.2259	48.5957	-36.1167
3	0.3288	0.0155	0.0201	0.3016	0.0226	0.403	0.0065	-0.0597	-0.0577	0.0834	0.0115	-0.0225	0.0363	-0.0409	-0.018	0.0896	0.0068	-0.0215	0.089	0.037	0.0716	2.2962	24.4189	-14.9425
4	2.4628	-0.399	-0.0797	0.4903	0.1041	3.3097	-0.0582	-0.1238	-0.4118	0.1415	0.2273	-0.1668	0.2639	0.559	-0.1691	0.1298	0.1128	-0.1269	0.2367	-0.05	0.3457	23.6029	0.9299	-5.4759
5	0.9968	0.4922	-1.0681	0.3787	-0.6126	1.3532	-0.0579	-0.1727	-0.2194	0.1549	-0.0116	-0.1547	0.0884	0.045	0.0695	0.3815	0.0296	-0.2284	0.1293	0.1224	0.2974	17.0778	0.9618	-7.8238
6	3.7284	-2.3175	-2.2921	10.3122	0.5124	1.5287	-0.4391	-0.275	-0.5096	2.0612	0.0418	-0.7632	0.1755	0.2315	0.3973	0.7313	0.1347	-0.306	0.1939	0.0983	0.3618	22.6492	-1.9832	-1.5886
7	0.3417	0.0041	0.0126	1.3925	0.0075	0.3775	0.0563	-0.1519	-0.0478	0.2388	-0.014	-0.0722	-0.0004	0.015	-0.0423	0.1252	0.0138	-0.0369	0.1472	0.0417	0.0362	10.6948	28.1801	-2.6038
8	0.4966	0.0493	0.155	0.4009	0.0315	0.3721	-0.0264	-0.0615	0.0142	0.0509	0.0381	-0.0436	-0.0519	0.0328	-0.0117	0.0862	0.0032	-0.0271	0.099	0.001	0.0634	13.0368	45.0904	-15.87
9	0.0365	0.0375	-0.0285	0.321	0.0665	0.088	-0.0076	-0.0247	-0.0225	0.019	0.0229	-0.017	-0.0003	0.013	-0.0153	0.076	0.0062	-0.0125	0.0836	0.0212	0.0846	1.7344	26.0972	-29.7129
10	0.3545	0.2477	-0.1094	0.3986	-0.1388	0.2258	-0.012	0.0214	0.0286	-0.0463	0.0078	0.0262	0.024	-0.0217	0.0042	0.0862	-0.0005	-0.0056	0.0847	-0.0007	0.0512	-34.9985	-9.4339	-22.5082
11	1.3771	-1.6605	1.2418	4.6527	-0.0616	3.6181	0.0338	0.2079	-0.025	0.0418	-0.0184	-0.2511	-0.2719	0.5841	-0.0155	0.0834	-0.0317	-0.0026	0.116	0.0488	0.2018	23.3548	35.6829	-67.1007
12	1.9178	0.5425	0.2466	3.6674	-0.8274	3.4462	0.0538	0.0897	0.1014	-0.1809	-0.1762	-0.2678	-0.2965	0.248	0.1225	0.0638	-0.0259	0.0313	0.081	0.0257	0.0806	16.7427	38.0213	-66.4975
13	1.2356	0.1807	0.3187	0.8939	-0.3635	0.7693	0.0202	-0.0078	0.0127	-0.023	-0.0578	-0.1517	-0.0989	0.0585	0.0377	0.0829	-0.016	0.008	0.0744	0.0248	0.0842	11.2756	33.8096	-66.3184
14	0.2717	-0.0405	-0.0023	0.2883	0.0251	0.2578	-0.0179	-0.0018	-0.0076	-0.0167	0.0129	0.0387	-0.0133	-0.0158	0.0049	0.0705	0.0012	-0.0128	0.073	0.0225	0.0889	-15.8602	26.8769	-48.3121
15	0.105	-0.06	-0.0524	0.453	0.4052	0.934	0.0043	-0.0238	-0.0566	0.0013	0.0541	0.1107	-0.0529	-0.0458	-0.0584	0.0436	0.0167	0.0118	0.081	0.0426	0.1267	-30.2588	41.686	-31.6966
16	0.192	-0.0172	-0.1444	0.2347	0.2314	0.942	0.0145	0.006	-0.0508	-0.021	0.0342	0.0962	-0.0702	-0.0942	-0.0487	0.0501	0.0268	-0.0157	0.0756	0.0378	0.1187	-27.5909	38.5182	-45.0204
17	0.3666	-0.1247	-0.1339	0.2858	-0.0405	0.2784	-0.0026	0.0498	0.0388	-0.0742	-0.0036	-0.0035	-0.0375	-0.0266	0.0062	0.0969	0.0089	-0.0177	0.0731	0.0267	0.0728	-13.189	38.1673	-65.1441
18	0.1435	0.0632	0.0446	0.5327	0.0373	0.1967	-0.0024	0.0125	0.0094	-0.0295	-0.0078	-0.0185	-0.0173	0.0004	0.0102	0.085	-0.0009	-0.0061	0.0828	0.0184	0.0798	-4.5962	26.087	-56.4641
19	0.3417	0.3817	-0.1034	0.9184	0.0003	0.1688	-0.0445	0.0079	-0.0406	-0.0162	0.0341	-0.0451	0.0296	-0.0004	0.0104	0.0721	0.0111	-0.0096	0.0804	0.0282	0.075	-1.0814	23.5087	-29.6254
20	0.3135	0.2097	-0.1136	0.3691	-0.1635	0.2231	-0.0015	-0.0013	0.0032	-0.0367	-0.0143	-0.0043	0.0359	0.0043	0.0158	0.0893	0.001	0.0016	0.082	-0.0018	0.0538	-30.3296	-11.4346	-21.556
21	1.999	1.3517	1.8447	8.2915	-0.3125	7.1965	-0.0073	0.1582	0.486	0.5613	-0.0708	-0.6609	-1.0116	0.1407	0.0781	0.1952	-0.0069	0.0216	0.0172	0.0672	0.316	37.2154	35.2557	-42.7956
22	0.5206	0.1216	-0.1342	2.2086	-0.5204	1.1038	0.0338	0.0574	0.1145	0.0508	0.08	-0.1229	-0.1326	0.1205	-0.1139	0.0175	-0.0136	0.0072	0.0718	-0.0134	0.1992	34.698	24.6857	-43.4588
23	0.1784	-0.0795	0.0056	0.4184	0.1097	0.2087	-0.0079	0.008	-0.0164	0.0151	0.0225	-0.033	0.0206	0.0075	-0.0146	0.0674	0.0073	-0.0062	0.0719	0.0224	0.1087	8.8986	1.6357	-44.2628
24	0.4419	-0.1856	0.6291	0.2825	-0.2355	1.0323	-0.0266	0.0087	-0.0304	-0.0278	0.0112	-0.0265	0.0178	0.0049	0.0154	0.0863	-0.0072	-0.004	0.0642	0.0141	0.0863	-3.8069	-8.4451	-62.5528
25	0.5649	-0.2837	0.4267	0.2201	-0.1703	0.5772	-0.0145	-0.0266	-0.0704	-0.0271	0.0531	-0.0048	0.0117	-0.0446	-0.0387	0.0991	-0.0156	-0.0078	0.0711	0.01	0.0911	-1.722	-8.1512	-61.2222
26	0.2776	0.0726	0.0198	0.7111	0.3206	0.2553	-0.0042	0.0182	0.0193	-0.0092	0.0488	-0.1433	0.056	0.0233	-0.0446	0.0392	0.0179	0.0014	0.0732	0.002	0.1435	27.5024	-2.2621	-49.8872
27	0.2292	-0.073	-0.1927	0.3065	-0.0322	0.612	-0.0161	0.0049	-0.006	0.0137	0.0585	-0.112	0.0501	0.0243	-0.0424	0.045	0.0068	-0.0159	0.0612	0.0164	0.1538	20.1259	9.6877	-40.0581
28	0.0771	-0.1236	-0.0302	0.3916	-0.0791	0.0975	-0.0066	-0.027	0.0015	0.014	0.0031	-0.0116	0.004	0.0267	0.0035	0.0744	-0.0083	-0.0145	0.089	0.0209	0.0876	-3.2905	17.1781	-43.7575
29	0.486	0.1746	-0.1073	0.5144	-0.0186	0.1011	-0.0037	0.027	0.0347	-0.0369	-0.02	-0.0405	-0.0071	0.0568	0.0237	0.0838	0.0009	0.0152	0.0876	0.0081	0.0614	-21.8383	-0.714	-25.3287
30	0.3464	0.2627	-0.0234	0.3871	-0.0137	0.2415	0.0075	-0.0142	0.0125	-0.0014	0.0043	0.0227	0.02	-0.009	-0.0118	0.0854	-0.001	0.0009	0.0889	-0.0018	0.056	-38.2759	-12.63	-13.7218

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	267 - 284
2	X-RAY DIFFRACTION	2	A	285 - 315
3	X-RAY DIFFRACTION	3	A	316 - 423
4	X-RAY DIFFRACTION	4	A	424 - 448
5	X-RAY DIFFRACTION	5	A	449 - 471
6	X-RAY DIFFRACTION	6	A	472 - 499
7	X-RAY DIFFRACTION	7	A	500 - 575
8	X-RAY DIFFRACTION	8	A	576 - 684
9	X-RAY DIFFRACTION	9	A	685 - 796
10	X-RAY DIFFRACTION	10	A	797 - 910
11	X-RAY DIFFRACTION	11	B	245 - 270
12	X-RAY DIFFRACTION	12	B	271 - 283
13	X-RAY DIFFRACTION	13	B	284 - 310
14	X-RAY DIFFRACTION	14	B	311 - 409
15	X-RAY DIFFRACTION	15	B	410 - 485
16	X-RAY DIFFRACTION	16	B	486 - 554
17	X-RAY DIFFRACTION	17	B	555 - 676
18	X-RAY DIFFRACTION	18	B	677 - 756
19	X-RAY DIFFRACTION	19	B	757 - 789
20	X-RAY DIFFRACTION	20	B	790 - 910
21	X-RAY DIFFRACTION	21	C	245 - 272
22	X-RAY DIFFRACTION	22	C	273 - 311
23	X-RAY DIFFRACTION	23	C	312 - 403
24	X-RAY DIFFRACTION	24	C	404 - 489
25	X-RAY DIFFRACTION	25	C	490 - 524
26	X-RAY DIFFRACTION	26	C	525 - 669
27	X-RAY DIFFRACTION	27	C	670 - 751
28	X-RAY DIFFRACTION	28	C	752 - 795
29	X-RAY DIFFRACTION	29	C	796 - 833
30	X-RAY DIFFRACTION	30	C	834 - 910

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