PDB-4ycs: Crystal structure of putative lipoprotein from Peptoclostridium d...

ID or keywords:

Entry

Database: PDB / ID: 4ycs

Title

Crystal structure of putative lipoprotein from Peptoclostridium difficile 630 (fragment)

Components

Uncharacterized protein

Keywords

HYDROLASE / Human Microbiome / Structural Genomics / PSI-Biology / Midwest Center for Structural Genomics / MCSG

Function / homology

Function and homology information

plasma membrane
Similarity search - Function

Biological species

Peptoclostridium difficile 630 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 1.98 Å

Authors

Michalska, K. / Wu, R. / Clancy, S. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

Funding support

United States, 1items

Citation

Journal: To Be Published
Title: Crystal structure of putative lipoprotein from Peptoclostridium difficile 630 (fragment)
Authors: Michalska, K. / Wu, R. / Clancy, S. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

History

Deposition	Feb 20, 2015	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Mar 18, 2015	Provider: repository / Type: Initial release
Revision 1.1	Sep 27, 2017	Group: Author supporting evidence / Derived calculations / Source and taxonomy Category: entity_src_gen / pdbx_audit_support ...entity_src_gen / pdbx_audit_support / pdbx_struct_assembly / pdbx_struct_oper_list Item: _entity_src_gen.pdbx_alt_source_flag / _pdbx_audit_support.funding_organization ..._entity_src_gen.pdbx_alt_source_flag / _pdbx_audit_support.funding_organization / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_oper_list.symmetry_operation
Revision 1.2	Dec 25, 2019	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3	Oct 30, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / pdbx_struct_conn_angle / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_alt_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_alt_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_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.pdbx_ptnr1_label_alt_id / _struct_conn.pdbx_ptnr2_label_alt_id / _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.ptnr2_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4ycs.cif.gz	305.5 KB	Display	PDBx/mmCIF format
PDB format	pdb4ycs.ent.gz	251.9 KB	Display	PDB format
PDBx/mmJSON format	4ycs.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	4ycs_validation.pdf.gz	478.3 KB	Display	wwPDB validaton report
Full document	4ycs_full_validation.pdf.gz	479.3 KB	Display
Data in XML	4ycs_validation.xml.gz	35.2 KB	Display
Data in CIF	4ycs_validation.cif.gz	46.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/yc/4ycs ftp://data.pdbj.org/pub/pdb/validation_reports/yc/4ycs	HTTPS FTP

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Related structure data

Similar structure data	3r5r-1 3r5w-10 2h8v-d 2msk-d 3cxg-2 3r5w-3 2xi1-2 2x2o-d 2q9p-d 1u8t-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) Search similar-shape structures by Omokage search (details) 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
Other databases	TargetTrack: MCSG-APC108779

Similar structure data

Other databases

TargetTrack: MCSG-APC108779

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#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: Uncharacterized protein

B: Uncharacterized protein

C: Uncharacterized protein

D: Uncharacterized protein

E: Uncharacterized protein

F: Uncharacterized protein

hetero molecules

85.8 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Uncharacterized protein

hetero molecules

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

2

B: Uncharacterized protein

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

3

C: Uncharacterized protein

hetero molecules

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

4

D: Uncharacterized protein

hetero molecules

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

5

E: Uncharacterized protein

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

6

F: Uncharacterized protein

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

Unit cell

Length a, b, c (Å)	37.755, 119.501, 185.912
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

Details

The biomolecule is unknown

#1: Protein	Uncharacterized protein / lipoprotein / fragment Mass: 14238.272 Da / Num. of mol.: 6 / Fragment: UNP residues 45-169 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Peptoclostridium difficile 630 (bacteria) Gene: BG47_10265 / Plasmid: pMCSG68 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) pGrow7-K / References: UniProt: A0A031WBX8, UniProt: Q189B5*PLUS
#2: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₃H₈O₃
#3: Chemical	ChemComp-ACT / ACETATE ION Mass: 59.044 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₂H₃O₂
#4: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Na
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 353 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 2

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Sample preparation

Crystal	Density Matthews: 2.49 Å³/Da / Density % sol: 50.55 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 0.09 M Malonic Acid, 0.013 M Ammonium Citrate Tribasic, 0.006 M Succinic Acid, 0.015 M DL-Malic Acid, 0.02 M Sodium Acetate, 0.025 M Sodium Formate, 0.008 M Ammonium Tartrate Dibasic, 0.1 M ...Details: 0.09 M Malonic Acid, 0.013 M Ammonium Citrate Tribasic, 0.006 M Succinic Acid, 0.015 M DL-Malic Acid, 0.02 M Sodium Acetate, 0.025 M Sodium Formate, 0.008 M Ammonium Tartrate Dibasic, 0.1 M HEPES:NaOH pH 7.0, 10% (w/v) PEG MME 5000, cryo 25% glycerol

Crystal

Density Matthews: 2.49 Å³/Da / Density % sol: 50.55 %

Crystal grow

Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 7
Details: 0.09 M Malonic Acid, 0.013 M Ammonium Citrate Tribasic, 0.006 M Succinic Acid, 0.015 M DL-Malic Acid, 0.02 M Sodium Acetate, 0.025 M Sodium Formate, 0.008 M Ammonium Tartrate Dibasic, 0.1 M ...

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.97915 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Aug 20, 2013 / Details: mirrors
Radiation	Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97915 Å / Relative weight: 1
Reflection	Resolution: 1.98→30 Å / Num. obs: 57544 / % possible obs: 96.8 % / Observed criterion σ(I): -3 / Redundancy: 4.8 % / R_merge(I) obs: 0.123 / Net I/σ(I): 12.4
Reflection shell	Resolution: 1.98→2.01 Å / Redundancy: 4.7 % / R_merge(I) obs: 0.848 / Mean I/σ(I) obs: 2.25 / % possible all: 97

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0049	refinement
HKL-3000		data reduction
HKL-3000		data scaling
Auto-Rickshaw		phasing

Refinement

Method to determine structure:

SAD / Resolution: 1.98→30 Å / Cor.coef. F_o:F_c: 0.963 / Cor.coef. F_o:F_c free: 0.944 / SU B: 8.615 / SU ML: 0.121 / Cross valid method: THROUGHOUT / ESU R: 0.16 / ESU R Free: 0.151 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.22628	1077	1.9 %	THIN SHELLS
R_work	0.17981	-	-	-
obs	0.18067	56177	95.89 %	-

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: 39.857 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.85 Å²	0 Å²	0 Å²
2-	-	-0.44 Å²	0 Å²
3-	-	-	-0.41 Å²

Refinement step

Cycle: LAST / Resolution: 1.98→30 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5676	0	23	353	6052

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.015	0.02	5821
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	5589
X-RAY DIFFRACTION	r_angle_refined_deg	1.457	1.991	7853
X-RAY DIFFRACTION	r_angle_other_deg	0.802	3	12942
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.669	5	741
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	43.244	27.481	262
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.312	15	1022
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	22.16	15	6
X-RAY DIFFRACTION	r_chiral_restr	0.091	0.2	900
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.02	6695
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	1191
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	2.244	2.31	2965
X-RAY DIFFRACTION	r_mcbond_other	2.234	2.307	2963
X-RAY DIFFRACTION	r_mcangle_it	3.387	3.438	3705
X-RAY DIFFRACTION	r_mcangle_other	3.388	3.439	3706
X-RAY DIFFRACTION	r_scbond_it	3.89	2.862	2856
X-RAY DIFFRACTION	r_scbond_other	3.89	2.862	2856
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	6.085	4.05	4149
X-RAY DIFFRACTION	r_long_range_B_refined	8.013	19.79	6510
X-RAY DIFFRACTION	r_long_range_B_other	8.013	19.79	6510
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 1.982→2.033 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.307	54	-
R_work	0.253	3836	-
obs	-	-	90.61 %

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	0.058	-0.088	-0.4108	0.2933	1.4143	7.9534	0.0116	-0.0283	-0.0719	0.0526	0.0987	-0.0141	0.4292	0.0523	-0.1103	0.1393	-0.0331	-0.03	0.1829	0.0021	0.1984	-0.6426	81.5258	16.4717
2	1.3618	-0.6644	-0.1879	0.9542	0.3874	1.7337	-0.157	-0.0678	-0.3861	-0.0666	0.1989	0.3614	0.3566	-0.1001	-0.0418	0.208	-0.0468	-0.0255	0.1218	0.0641	0.2063	0.1317	76.4994	19.0979
3	1.024	-0.2126	-0.0061	2.5791	0.9006	1.4567	-0.04	0.0771	0.0102	-0.3569	-0.0285	0.0101	-0.1469	0.0325	0.0686	0.157	-0.02	-0.0045	0.1364	0.0143	0.0674	1.2568	89.0827	12.4678
4	0.7532	-1.9269	-0.7162	5.982	3.3573	3.2644	-0.0414	0.114	0.2356	-0.1447	0.0619	-0.5507	-0.1456	0.3483	-0.0205	0.1413	-0.1023	0.0332	0.1766	0.0227	0.1321	7.8926	91.6892	14.3586
5	3.6247	-1.6867	1.459	0.7996	-0.7603	1.0405	0.4538	0.2898	0.1163	-0.2414	-0.1992	0.0001	0.3449	0.4655	-0.2546	0.1791	0.1304	-0.0567	0.3232	-0.2214	0.235	13.1205	81.4305	14.1395
6	10.2044	-4.6721	1.842	2.4073	0.5693	7.7938	-0.1279	-0.1801	0.0644	0.0354	0.0674	-0.0104	-0.1537	-0.1198	0.0605	0.0617	-0.005	0.0052	0.0625	-0.0126	0.1682	10.0748	82.095	26.005
7	0.1858	-0.6577	0.6258	4.0175	-3.9072	3.8071	0.0375	-0.0177	0.1052	0.2732	0.0252	0.037	-0.2666	-0.0037	-0.0627	0.1839	-0.0304	0.0581	0.1731	0.0128	0.2062	14.5763	47.1726	-9.1732
8	2.4012	-0.0904	0.0083	2.8357	-1.7811	1.1698	0.3084	-0.2326	0.3893	0.1331	-0.0533	0.3373	-0.1054	0.1545	-0.2551	0.1304	-0.0649	0.0758	0.2899	-0.1233	0.1588	12.1197	51.7363	-2.6547
9	0.6542	0.9331	-0.5305	3.1384	-0.3776	1.306	0.015	-0.052	0.0963	-0.3391	0.0227	-0.0441	0.1554	0.0904	-0.0377	0.1586	-0.0075	0.0414	0.1225	0.0092	0.0806	14.5224	42.6216	-15.1544
10	1.5113	0.7093	-0.7742	3.8577	-1.5191	0.7868	-0.0529	0.2222	0.0541	-0.3733	0.1718	0.3666	0.1713	-0.1411	-0.1189	0.1886	-0.0452	-0.0758	0.1019	0.0024	0.14	4.6029	37.9613	-15.9314
11	3.5484	-1.4492	1.2445	2.9173	2.572	4.5226	0.2199	-0.0273	0.0114	-0.3854	-0.0374	-0.1489	-0.3451	-0.1112	-0.1824	0.1428	0.0215	0.0291	0.1379	0.0907	0.145	1.7887	51.9388	-10.9872
12	5.8888	-3.2776	-4.2587	8.5094	1.2986	3.2554	0.0365	-0.1157	0.3589	-0.2715	0.212	-0.3559	0.0231	0.0544	-0.2485	0.0586	-0.0192	0.0107	0.1471	0.0287	0.1363	3.4278	46.5273	-1.6021
13	0.3904	-1.0519	-0.8101	3.6947	4.04	5.7935	0.0767	0.0885	0.0653	-0.3641	-0.1374	-0.1007	-0.5322	-0.1064	0.0606	0.1466	-0.0075	0.0162	0.2008	-0.0137	0.1146	23.1378	49.9721	8.3691
14	0.713	-0.8511	-1.0166	5.871	5.2872	7.0811	-0.129	0.1938	0.2336	-0.1116	0.1391	-0.1145	-0.2168	-0.0223	-0.0101	0.1225	-0.0723	-0.0195	0.1209	0.0506	0.1296	25.9511	55.2971	1.5293
15	0.9038	0.215	-0.0729	0.0565	-0.026	1.42	-0.0484	0.1615	-0.0053	0.0151	0.048	-0.0012	-0.0321	-0.0345	0.0005	0.1507	-0.0023	0.0141	0.153	-0.0138	0.0928	23.295	45.7176	11.2592
16	0.4395	-0.8508	0.3832	4.5707	0.308	1.2286	-0.024	-0.0757	0.0426	0.0961	0.051	-0.1728	0.142	0.2607	-0.027	0.0927	0.0714	-0.0047	0.2814	-0.0257	0.1131	31.5869	42.8534	16.5822
17	0.3003	-0.227	-1.0008	0.1875	0.7731	3.361	0.0943	-0.1534	0.0659	-0.0667	0.1629	-0.0658	-0.2906	0.5435	-0.2573	0.032	-0.0533	0.0045	0.2073	-0.0507	0.1738	37.6057	50.789	12.1541
18	7.4117	1.8737	-3.3019	1.0578	0.3238	3.7981	0.1714	0.0962	0.0595	0.1613	0.0265	-0.0369	0.1359	-0.0613	-0.1978	0.0624	0.0049	0.0163	0.1607	0.061	0.1687	34.6577	46.8897	0.6353
19	0.1556	0.0735	0.5693	0.2826	1.0527	4.6122	0.1409	-0.0245	0.0548	-0.1801	-0.0554	-0.0913	-0.3174	-0.3962	-0.0855	0.3309	0.0275	0.115	0.2055	-0.0502	0.2123	29.5346	48.2265	55.8702
20	6.7098	-0.872	-2.0589	2.6319	3.1554	3.9772	-0.0015	-0.5328	0.2442	-0.2885	-0.0087	-0.0133	-0.409	0.0957	0.0102	0.2933	0.007	-0.1382	0.0845	0.0264	0.1323	28.9481	65.921	58.1041
21	0.4329	0.0414	-0.3701	0.8351	0.7243	1.8961	-0.0131	0.0235	0.0082	0.0059	-0.0108	-0.0169	-0.1264	-0.1613	0.0239	0.0817	0.0176	-0.0154	0.1386	-0.0212	0.1116	29.5856	51.9641	58.9781
22	1.4757	1.3481	-1.1632	4.212	-0.63	0.9838	-0.0157	-0.0564	0.0936	0.1322	0.1198	-0.0273	0.0311	0.0545	-0.104	0.0758	0.0339	-0.0494	0.1192	-0.0194	0.1307	36.7001	48.683	67.34
23	0.4912	-0.1804	-0.9195	2.912	1.147	1.9741	0.1484	-0.0288	0.072	-0.3249	0.0921	-0.2139	-0.3306	0.0622	-0.2404	0.1395	-0.0212	-0.0309	0.089	-0.0397	0.1896	42.7424	55.1858	61.2177
24	3.4861	1.8314	-1.7217	7.9288	-0.7914	2.964	-0.0748	0.0555	-0.1431	0.2234	0.2946	-0.1081	-0.0363	-0.2027	-0.2198	0.029	0.0077	0.0033	0.1296	-0.037	0.1278	39.7362	48.8166	51.1622
25	0.183	0.0544	-0.1638	0.0418	-0.0701	0.167	-0.0001	-0.031	0.0561	-0.0475	0.0622	0.0281	0.0306	-0.0305	-0.0622	0.2113	-0.0296	0.0076	0.2101	0.0045	0.1335	18.9007	50.8463	41.8437
26	0.7217	0.3857	1.9782	0.4772	1.2835	5.631	0.0216	-0.0897	-0.0366	-0.1132	0.202	-0.1427	-0.0055	-0.0166	-0.2235	0.1218	-0.0811	0.0299	0.2833	-0.1036	0.1055	19.8601	47.9339	49.729
27	1.1353	0.5042	-0.192	0.7048	-0.9957	2.0011	-0.0213	-0.1135	-0.0352	-0.1255	-0.0425	0.0277	0.1027	0.0474	0.0638	0.1731	-0.0017	-0.0195	0.104	0.01	0.1235	19.3338	39.248	37.9919
28	2.3039	1.0652	-0.4844	9.2098	-6.3619	6.2956	0.1187	0.3193	-0.0673	-0.3274	-0.0569	-0.0602	0.4541	0.0031	-0.0618	0.1343	-0.0416	-0.0239	0.1017	0.0085	0.0949	12.4895	33.6343	34.0331
29	0.8712	-0.4109	0.0378	0.3454	-0.604	2.4891	-0.0911	0.0583	-0.0538	-0.0099	0.0353	0.0618	0.1919	-0.2319	0.0558	0.0756	-0.0686	-0.0243	0.148	0.03	0.1914	8.1036	37.449	38.9109
30	3.8866	-1.7486	-2.0807	1.419	2.425	4.6238	0.3536	-0.0891	0.3779	-0.1036	-0.0614	-0.2171	-0.0592	-0.2193	-0.2922	0.0373	-0.029	0.0348	0.1104	-0.0114	0.1864	8.1509	50.2529	44.2873
31	0.3333	-1.3202	0.7423	5.3425	-2.9933	1.7047	0.1206	0.0758	-0.0006	-0.3616	-0.2014	-0.0061	0.2139	0.1471	0.0808	0.1676	0.0231	0.0211	0.1681	0.0285	0.1844	28.5323	74.4152	32.2418
32	0.7814	0.4631	0.4704	4.4955	-0.2129	0.4106	0.0296	0.0812	0.1043	-0.1952	-0.1367	0.1776	0.1005	0.1446	0.1071	0.1375	0.0383	0.0418	0.1456	0.0224	0.121	25.6148	72.9618	25.0699
33	0.7171	-0.6882	0.7408	3.1271	-0.4288	0.81	-0.0355	0.028	0.1013	0.2001	-0.0561	-0.1172	0.0086	0.0026	0.0916	0.1439	0.0025	0.0008	0.102	-0.0064	0.1089	30.0154	76.6571	38.4199
34	0.5835	0.1851	-0.5482	3.2449	1.4816	1.383	-0.0394	0.0162	-0.0345	0.4638	-0.1511	0.2355	0.2829	-0.1077	0.1905	0.2078	-0.0138	0.0673	0.0544	-0.0426	0.1342	21.5854	76.2932	42.9435
35	0.0457	-0.3841	0.1732	3.275	-1.4391	0.665	-0.0069	-0.0137	-0.0223	0.1129	0.045	0.2835	0.0041	-0.0789	-0.0381	0.141	-0.0798	0.1636	0.1148	-0.1476	0.252	14.1723	74.5223	40.4747
36	0.0526	0.3166	0.1049	8.6488	0.0485	1.1371	-0.0385	0.0442	0.0283	-0.0076	0.0537	-0.0678	0.074	0.1253	-0.0152	0.0948	-0.0144	-0.0168	0.0852	0.0064	0.1423	16.4815	74.8864	26.6429

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	47 - 61
2	X-RAY DIFFRACTION	2	A	62 - 91
3	X-RAY DIFFRACTION	3	A	92 - 122
4	X-RAY DIFFRACTION	4	A	123 - 139
5	X-RAY DIFFRACTION	5	A	140 - 162
6	X-RAY DIFFRACTION	6	A	163 - 169
7	X-RAY DIFFRACTION	7	B	47 - 61
8	X-RAY DIFFRACTION	8	B	62 - 85
9	X-RAY DIFFRACTION	9	B	86 - 121
10	X-RAY DIFFRACTION	10	B	122 - 146
11	X-RAY DIFFRACTION	11	B	147 - 157
12	X-RAY DIFFRACTION	12	B	158 - 169
13	X-RAY DIFFRACTION	13	C	48 - 61
14	X-RAY DIFFRACTION	14	C	62 - 79
15	X-RAY DIFFRACTION	15	C	80 - 117
16	X-RAY DIFFRACTION	16	C	118 - 138
17	X-RAY DIFFRACTION	17	C	139 - 157
18	X-RAY DIFFRACTION	18	C	158 - 169
19	X-RAY DIFFRACTION	19	D	48 - 56
20	X-RAY DIFFRACTION	20	D	57 - 67
21	X-RAY DIFFRACTION	21	D	68 - 121
22	X-RAY DIFFRACTION	22	D	122 - 139
23	X-RAY DIFFRACTION	23	D	140 - 157
24	X-RAY DIFFRACTION	24	D	158 - 169
25	X-RAY DIFFRACTION	25	E	48 - 78
26	X-RAY DIFFRACTION	26	E	79 - 88
27	X-RAY DIFFRACTION	27	E	89 - 118
28	X-RAY DIFFRACTION	28	E	119 - 126
29	X-RAY DIFFRACTION	29	E	127 - 147
30	X-RAY DIFFRACTION	30	E	148 - 169
31	X-RAY DIFFRACTION	31	F	48 - 60
32	X-RAY DIFFRACTION	32	F	61 - 85
33	X-RAY DIFFRACTION	33	F	86 - 113
34	X-RAY DIFFRACTION	34	F	114 - 139
35	X-RAY DIFFRACTION	35	F	140 - 152
36	X-RAY DIFFRACTION	36	F	153 - 169

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