PDB-4ep0: Structure of the bacteriophage C1 tail knob protein, gp12

ID or keywords:

Entry

Database: PDB / ID: 4ep0

Title

Structure of the bacteriophage C1 tail knob protein, gp12

Components

Major tail protein

Keywords

STRUCTURAL PROTEIN / VIRAL PROTEIN

Function / homology

Distal tube protein, N-terminal / Caudoviral major tail protein N-terminus / identical protein binding / Major tail protein

Function and homology information

Biological species

Streptococcus phage C1 (virus)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 4 Å

Authors

Aksyuk, A.A. / Rossmann, M.G.

Citation

Journal: Proc Natl Acad Sci U S A / Year: 2012
Title: Structural investigations of a Podoviridae streptococcus phage C1, implications for the mechanism of viral entry.
Authors: Anastasia A Aksyuk / Valorie D Bowman / Bärbel Kaufmann / Christopher Fields / Thomas Klose / Heather A Holdaway / Vincent A Fischetti / Michael G Rossmann /

Abstract: The Podoviridae phage C1 was one of the earliest isolated bacteriophages and the first virus documented to be active against streptococci. The icosahedral and asymmetric reconstructions of the virus ...

History

Deposition	Apr 16, 2012	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 22, 2012	Provider: repository / Type: Initial release
Revision 1.1	Aug 29, 2012	Group: Database references
Revision 1.2	Sep 12, 2012	Group: Database references
Revision 1.3	Sep 13, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ref_seq_dif Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4ep0.cif.gz	2.3 MB	Display	PDBx/mmCIF format
PDB format	pdb4ep0.ent.gz	1.9 MB	Display	PDB format
PDBx/mmJSON format	4ep0.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/ep/4ep0 ftp://data.pdbj.org/pub/pdb/validation_reports/ep/4ep0	HTTPS FTP

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Related structure data

Related structure data	5445C 5446C 4eo2SC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	4eo2-d 5fei-1 5w5f-d 5fb4-1 22109 9136 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

Deposited unit

A: Major tail protein

B: Major tail protein

C: Major tail protein

D: Major tail protein

E: Major tail protein

F: Major tail protein

G: Major tail protein

H: Major tail protein

I: Major tail protein

J: Major tail protein

K: Major tail protein

L: Major tail protein

802 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Major tail protein

B: Major tail protein

C: Major tail protein

D: Major tail protein

E: Major tail protein

F: Major tail protein

defined by author&software
401 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

G: Major tail protein

H: Major tail protein

I: Major tail protein

J: Major tail protein

K: Major tail protein

L: Major tail protein

defined by author&software
401 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	316.868, 211.380, 178.605
Angle α, β, γ (deg.)	90.00, 116.53, 90.00
Int Tables number	5
Space group name H-M	C121

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
3	1
4	1
5	1
6	1
7	1
8	1
9	1
10	1
11	1
12	1

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details
1	1	1	chain 'A' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
2	1	1	chain 'B' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
3	1	1	chain 'C' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
4	1	1	chain 'D' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
5	1	1	chain 'E' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
6	1	1	chain 'F' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
7	1	1	chain 'G' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
8	1	1	chain 'H' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
9	1	1	chain 'I' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
10	1	1	chain 'J' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
11	1	1	chain 'K' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
12	1	1	chain 'L' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)

#1: Protein	Major tail protein / tail knob protein / gp12 Mass: 66821.797 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptococcus phage C1 (virus) / Gene: orf12 / Production host: Escherichia coli (E. coli) / References: UniProt: Q7Y3F0

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.34 Å³/Da / Density % sol: 63.14 %
Crystal grow	Temperature: 293 K / Method: evaporation / pH: 9.5 Details: 35% PEG400, 0.1 M CHES, pH 9.5, EVAPORATION, temperature 293K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 23-ID-D / Wavelength: 1.0332 Å

Detector

Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Oct 21, 2011

Radiation

Monochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1.0332 Å / Relative weight: 1

Reflection

Resolution: 4→50 Å / Num. all: 88823 / Num. obs: 88253 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.8 % / R_merge(I) obs: 0.251 / R_sym value: 0.251 / Net I/σ(I): 8

Reflection shell

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	R_sym value	Diffraction-ID	% possible all
4-4.07	3.8	0.538	3.5	0.538	1	100
4.07-4.14					1	99.9
4.14-4.22					1	100
4.22-4.31					1	99.9
4.4-4.5					1	99.9
4.5-4.62					1	99.9
4.62-4.74					1	100
4.74-4.88					1	100
5.04-5.22					1	100
5.22-5.43					1	100
5.43-5.67					1	100
5.67-5.97					1	100
5.97-6.35					1	100
6.35-6.84					1	100
6.84-7.52					1	100
7.52-8.6					1	100

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Processing

Software

Name	Classification
HKL-2000	data collection
PHASER	phasing
PHENIX	refinement
HKL-2000	data reduction
HKL-2000	data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4EO2

4eo2

Resolution: 4→49.726 Å / SU ML: 0.4 / σ(F): 1.33 / Phase error: 21.96 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2332	4424	5.02 %
R_work	0.1949	-	-
obs	0.1969	88192	99.35 %
all	-	88787	-

Solvent computation

Shrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 55.326 Å² / k_sol: 0.281 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	2.2192 Å²	-0 Å²	20.4553 Å²
2-	-	-17.7069 Å²	-0 Å²
3-	-	-	15.4877 Å²

Refinement step

Cycle: LAST / Resolution: 4→49.726 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	47376	0	0	0	47376

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.01	48360
X-RAY DIFFRACTION	f_angle_d	1.392	65568
X-RAY DIFFRACTION	f_dihedral_angle_d	17.399	17652
X-RAY DIFFRACTION	f_chiral_restr	0.074	7272
X-RAY DIFFRACTION	f_plane_restr	0.005	8520

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Type	Rms dev position (Å)
1	1	A	3948	X-RAY DIFFRACTION	POSITIONAL
1	2	B	3948	X-RAY DIFFRACTION	POSITIONAL	0.049
1	3	C	3948	X-RAY DIFFRACTION	POSITIONAL	0.062
1	4	D	3948	X-RAY DIFFRACTION	POSITIONAL	0.05
1	5	E	3948	X-RAY DIFFRACTION	POSITIONAL	0.046
1	6	F	3948	X-RAY DIFFRACTION	POSITIONAL	0.053
1	7	G	3948	X-RAY DIFFRACTION	POSITIONAL	0.048
1	8	H	3948	X-RAY DIFFRACTION	POSITIONAL	0.046
1	9	I	3948	X-RAY DIFFRACTION	POSITIONAL	0.055
1	10	J	3948	X-RAY DIFFRACTION	POSITIONAL	0.044
1	11	K	3948	X-RAY DIFFRACTION	POSITIONAL	0.046
1	12	L	3948	X-RAY DIFFRACTION	POSITIONAL	0.047

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
4-4.0454	0.2998	144	0.2609	2804	X-RAY DIFFRACTION	100
4.0454-4.093	0.3005	161	0.249	2733	X-RAY DIFFRACTION	100
4.093-4.1429	0.2974	145	0.2293	2845	X-RAY DIFFRACTION	100
4.1429-4.1953	0.2318	141	0.2255	2732	X-RAY DIFFRACTION	100
4.1953-4.2505	0.279	152	0.2225	2819	X-RAY DIFFRACTION	100
4.2505-4.3087	0.2363	151	0.2089	2779	X-RAY DIFFRACTION	99
4.3087-4.3702	0.2381	160	0.2056	2760	X-RAY DIFFRACTION	100
4.3702-4.4354	0.2392	143	0.2024	2797	X-RAY DIFFRACTION	100
4.4354-4.5047	0.2551	138	0.1904	2815	X-RAY DIFFRACTION	100
4.5047-4.5785	0.2587	142	0.184	2780	X-RAY DIFFRACTION	100
4.5785-4.6574	0.2265	140	0.1766	2785	X-RAY DIFFRACTION	100
4.6574-4.742	0.2127	135	0.1789	2821	X-RAY DIFFRACTION	100
4.742-4.8331	0.2113	142	0.175	2809	X-RAY DIFFRACTION	100
4.8331-4.9317	0.2311	152	0.1761	2830	X-RAY DIFFRACTION	100
4.9317-5.0388	0.2505	148	0.2064	2766	X-RAY DIFFRACTION	100
5.0388-5.1559	0.2613	132	0.2036	2812	X-RAY DIFFRACTION	100
5.1559-5.2847	0.2614	136	0.2232	2833	X-RAY DIFFRACTION	100
5.2847-5.4274	0.2602	130	0.2159	2805	X-RAY DIFFRACTION	99
5.4274-5.5869	0.2661	139	0.2078	2790	X-RAY DIFFRACTION	100
5.5869-5.767	0.2333	138	0.2036	2819	X-RAY DIFFRACTION	99
5.767-5.9728	0.2575	144	0.1819	2765	X-RAY DIFFRACTION	99
5.9728-6.2115	0.1917	144	0.1749	2805	X-RAY DIFFRACTION	99
6.2115-6.4936	0.2258	146	0.1772	2787	X-RAY DIFFRACTION	99
6.4936-6.8352	0.2203	162	0.1634	2791	X-RAY DIFFRACTION	99
6.8352-7.2622	0.1932	156	0.1508	2798	X-RAY DIFFRACTION	99
7.2622-7.821	0.1876	180	0.1517	2749	X-RAY DIFFRACTION	99
7.821-8.6044	0.215	152	0.158	2796	X-RAY DIFFRACTION	99
8.6044-9.841	0.1796	145	0.1623	2815	X-RAY DIFFRACTION	99
9.841-12.3671	0.1699	177	0.1584	2732	X-RAY DIFFRACTION	98
12.3671-49.7295	0.249	149	0.2492	2796	X-RAY DIFFRACTION	96

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	0.0038	-0.0033	-0.0107	0.006	0.0143	0.0624	-0.037	-0.0158	0.1449	-0.0549	0.0564	0.0166	-0.0879	-0.0006	0.0567	0.2081	-0.127	-0.1339	0.4125	0.0523	0.6248	77.6687	-27.4292	82.5039
2	0.0893	-0.1004	-0.1101	0.1044	0.1186	0.1432	0.0671	-0.1881	0.0536	-0.005	0.0439	-0.1028	-0.05	0.0107	0.0913	0.2108	-0.1019	-0.1167	0.3651	0.1953	0.4341	73.5242	-26.1722	83.1003
3	0.1421	-0.0414	-0.1013	0.033	-0.0145	0.1547	-0.0735	0.0943	-0.3522	-0.0021	-0.0956	0.1133	0.1417	-0.0592	-0.2578	0.1479	-0.0823	-0.0043	0.0397	-0.0722	0.6975	24.1915	-86.1802	71.7734
4	0.2025	-0.1384	-0.0611	0.1046	0.0141	0.2087	-0.1547	-0.0473	-0.2803	0.0168	-0.099	0.0912	0.0548	0.0049	-0.6292	0.0538	0.1281	-0.002	0.0369	0.0928	0.5802	44.2214	-58.1579	77.5091
5	0.0968	0.0065	0.0597	0.0999	0.0188	0.0621	-0.0471	0.0801	0.0675	-0.0364	-0.0279	-0.036	-0.0732	0.0744	0.0271	0.4475	-0.2459	-0.3623	0.7133	0.1752	0.5401	60.8511	-19.9869	112.0002
6	0.0031	-0.0025	0.0028	-0.0013	-0.0009	0.0046	0.0032	0.0684	0.0071	-0.0504	0.0131	-0.0081	0.0261	0.0105	-0	0.6845	-0.2724	-0.1846	1.0227	0.1071	0.7104	67.0039	-17.0622	108.6765
7	0.405	-0.1546	0.0671	0.0685	-0.0214	0.3473	-0.1856	-0.1165	-0.3514	0.0984	-0.084	-0.0163	-0.169	0.2664	-0.8181	-0.2153	0.3413	-0.1328	-0.1786	0.2917	0.2532	23.2085	-57.5612	100.2146
8	0.0212	-0.001	0.0143	0.0119	-0.0017	0.0098	0.0546	0.0272	-0.0148	-0.0226	-0.0169	-0.1008	-0.0082	0.2103	-0.0001	0.6088	-0.3114	-0.0188	0.6081	-0.0791	0.4938	33.6681	2.1661	112.0827
9	0.0013	0.0032	0.0116	0.0175	0.0137	0.0518	0.0364	-0.128	0.0642	0.1288	0.027	-0.1236	-0.0072	0.1151	0.0198	0.347	-0.1995	-0.0342	0.4355	-0.0875	0.4613	34.0719	0.6823	107.9867
10	0.0774	-0.0557	0.0346	0.0778	-0.0181	0.0195	0.0022	-0.0345	-0.1665	-0.0109	0.063	0.2418	0.0405	-0.0711	0.0382	-0.0143	0.122	-0.084	0.0127	0.167	0.312	-15.6824	-57.0738	94.8379
11	0.1327	-0.0052	0.0337	0.0055	-0.0393	0.1103	0.1086	-0.0422	-0.1625	0.0737	-0.0594	-0.1116	-0.1638	0.1322	0.5112	-0.0852	0.0853	-0.1898	0.095	0.1576	0.0508	7.3292	-31.5511	97.8804
12	0.1142	-0.0754	-0.1558	0.0523	0.111	0.2429	0.0446	-0.0924	0.0737	0.0572	0.0388	-0.1415	0.039	0.089	0.0985	0.1115	0.0548	0.0251	0.1187	0.0704	0.5091	24.1569	18.6702	84.3
13	0.1919	0.0237	-0.0039	0.0528	-0.007	0.0724	0.0715	0.038	0.0784	-0.0578	0.0446	0.0408	0.0104	0.061	0.4164	0.0401	-0.0304	-0.0688	0.1331	0.1519	0.1698	10.6145	-7.9715	75.037
14	0.0355	-0.0326	-0.0222	0.072	0.0068	0.0254	-0.0079	0.0844	0.0141	-0.0146	-0.044	0.044	0.0002	0.0026	-0.1124	0.2606	-0.0211	-0.1202	0.3486	-0.0602	0.1622	-30.8336	-59.1552	64.3619
15	0.0582	-0.0013	-0.0205	0.0976	-0.0634	0.0052	0.1243	0.1924	0.1193	-0.1072	0.0686	0.0376	-0.0998	-0.0871	0.788	-0.1357	0.1541	-0.2403	0.0463	0.1929	0.0668	-3.7179	-24.3781	70.7387
16	0.2056	-0.0164	-0.0771	0.0065	0.0115	0.0297	0.0293	-0.1185	0.0099	0.1278	0.0276	0.0014	0.0641	0.0357	0.0454	0.3985	-0.0664	-0.0448	0.153	0.0392	0.2167	39.1505	12.7023	55.1313
17	0.0203	0.0092	0.003	0.0322	0.0063	0.0937	-0.0292	-0.0635	0.0915	-0.0313	0.0098	-0.0394	0.0149	-0.0705	0.0082	0.2269	0.0328	0.0015	0.2691	-0.0242	0.4034	42.3867	2.8745	54.004
18	0.0053	-0.0085	-0.0157	0.0192	0.0252	0.0112	-0.0049	0.2242	-0.2039	-0.0333	0.0236	0.0418	0.0493	-0.2019	-0.0605	0.2313	-0.2109	-0.0812	0.5336	-0.1269	0.2783	-0.3614	-49.4876	43.221
19	0.2258	-0.021	-0.0185	0.0005	0.0372	0.0418	-0.1947	0.3804	-0.0624	-0.0447	0.0007	0.1268	0.071	-0.2746	-0.5001	-0.0049	-0.171	-0.2528	0.4873	-0.1173	-0.0953	9.3698	-35.4415	46.4328
20	0.06	-0.0653	0.0386	0.1124	0.0158	0.1163	-0.02	-0.0749	0.0587	0.0498	0.0046	0.0155	-0.0928	-0.0656	-0.0457	0.1923	0.0389	0.1784	0.0165	-0.1816	0.2023	67.7558	-9.6112	52.6962
21	0.2056	-0.1026	0.0402	0.0783	0.0259	0.0883	0.0323	0.0148	-0.1738	0.0378	-0.0594	0.0445	0.0164	-0.0215	0.082	0.0721	-0.0284	-0.0136	-0.0324	-0.0715	0.1667	56.6031	-26.5362	58.3684
22	0.0052	-0.0012	-0.0044	0.0246	-0.0171	0.0347	0.0284	0.0383	-0.1711	-0.0837	0.0428	0.0581	0.1145	-0.0283	0.0181	0.4592	-0.2546	-0.022	0.6321	-0.3863	0.7896	12.0953	-80.5979	41.0801
23	0.1088	-0.0126	-0.0913	0.0345	-0.0077	0.121	-0.1132	0.1683	-0.1541	-0.0204	-0.0445	0.0992	0.1507	-0.1673	-0.1276	0.1798	-0.1041	0.0589	0.1732	-0.2331	0.2892	37.859	-47.1171	51.7224
24	0.0158	-0.0049	0.0256	0.1178	0.0318	0.0666	0.036	-0.0251	-0.0177	-0.0443	0.0073	0.0831	-0.0215	-0.1202	-0.0095	0.6819	0.1011	-0.0291	0.3118	0.0863	0.2231	2.5116	-80.6307	173.7779
25	0.0038	0.0005	-0.0089	0.0237	-0.0283	0.029	-0.0538	-0.0108	0.0357	-0.0504	0.0146	0.0044	0.2056	-0.0254	-0	0.758	0.1006	0.0815	0.3101	-0.0352	0.3308	2.4608	-76.9909	171.3605
26	0.0456	0.0636	0.0935	0.105	0.1288	0.1863	0.0426	-0.1535	0.1164	0.0185	0.1313	-0.2386	-0.0516	0.5728	-0.0389	0.5048	-0.1668	-0.1577	1.0653	-0.3571	0.464	49.7236	-22.3836	202.1179
27	0.3177	-0.1423	-0.2008	0.0872	0.0316	0.3548	0.0714	-0.3019	0.1072	-0.0772	0.0953	-0.0828	0.1479	0.4298	0.3774	0.5151	0.189	-0.0551	0.5753	-0.1162	0.1245	28.3439	-45.1713	186.5444
28	0.0728	0.018	0.1065	0.0441	-0.0154	0.2131	0.0852	-0.0558	-0.0385	0.0781	0.137	0.0538	0.0398	-0.0858	-0.0047	0.8269	0.0317	0.046	0.3453	0.05	0.5466	16.9658	-74.6676	142.643
29	0.0572	-0.0189	-0.0132	0.0673	0.0372	0.0233	0.0473	-0.0425	-0.0924	0.04	0.0484	0.0782	0.1729	-0.1412	0.0332	0.5623	-0.0572	0.0983	0.1825	0.1101	0.161	14.6506	-71.0976	143.636
30	0.0214	0.0397	0.0055	0.0222	-0.0062	0.0008	0.0092	-0.1961	0.0948	-0.0054	0.0555	-0.1277	-0.0899	0.4208	0.0361	0.429	-0.2895	-0.027	1.0488	-0.3238	0.442	60.9018	-15.1708	173.5366
31	0.2552	-0.095	-0.1632	0.1208	-0.0284	0.3823	0.1646	-0.3028	0.1084	0.0729	0.1246	-0.1852	0.0856	0.3637	0.4189	0.2832	0.0337	-0.0472	0.618	-0.1593	0.2937	38.4894	-38.4362	160.2978
32	0.0171	-0.0495	0.0288	0.1299	-0.0773	0.0435	0.0007	-0.1237	-0.1299	0.0771	0.0392	0.0654	0.1043	-0.1004	0.0336	0.5495	-0.2397	0.0943	0.2998	0.1008	0.2696	3.2329	-50.8608	121.2126
33	0.0448	-0.003	0.0159	0.043	0.0318	0.0219	0.0851	0.0501	0.0362	0.0126	0.1272	0.0972	0.0123	-0.2101	0.1762	0.4218	-0.1293	0.0194	0.2456	0.1511	0.1756	1.8833	-49.8585	125.238
34	0.1525	-0.0953	0.0542	0.1299	-0.0192	0.0317	-0.001	-0.1472	0.2611	0.0221	0.0279	-0.1927	-0.2404	0.3576	0.0284	0.572	-0.4931	0.1682	0.6019	-0.3349	0.4499	46.4045	6.8025	156.3569
35	0.2952	-0.1261	-0.1945	0.3013	0.1103	0.5241	0.2021	-0.2688	0.3493	0.1242	0.1247	-0.263	-0.3482	0.199	0.6374	0.4031	-0.2493	0.2076	0.1675	-0.206	0.0222	25.1713	-18.2499	144.5
36	0.0115	0.0045	-0.0061	0.0108	0.0133	0.017	0.0152	0.0156	-0.0995	0.0401	0.0433	0.0216	0.016	-0.036	0	0.642	-0.0313	-0.0266	0.887	0.1646	0.5994	-25.1121	-32.989	130.7286
37	-0.002	-0.0035	0.0019	0.0044	-0.0077	0.0109	0.0409	-0.0185	-0.101	-0.0519	0.1333	0.1275	0.0363	-0.2098	0.0048	0.3309	-0.0807	-0.0823	0.6062	0.0306	0.2769	-23.2494	-34.4594	134.4037
38	0.0279	-0.0276	-0.0134	0.0279	0.0338	0.0781	0.0995	-0.1224	0.1653	0.0802	-0.027	-0.0013	-0.2794	0.1749	-0.0214	0.6798	-0.2089	0.3679	0.2684	-0.2392	0.5755	20.9696	21.2747	167.5866
39	0.1303	-0.0315	-0.14	0.0987	0.0031	0.5093	0.1575	0.0635	0.2013	0.0084	0.0685	-0.0161	-0.3741	-0.1025	0.7274	0.6041	0.0473	0.3232	0.2394	0.0524	0.3133	1.7521	-4.9143	154.7757
40	0.0133	0.0076	0.0114	0.006	0.0071	0.0088	-0.0311	0.1401	-0.0452	-0.1243	0.0104	-0.0083	0.0624	0.02	0.0001	0.5641	-0.0183	0.0445	0.9799	-0.0819	0.7749	-39.6455	-39.0861	161.7018
41	0.0152	-0.0104	0.0199	0.0223	-0.0058	0.0295	-0.0786	0.2717	-0.1643	-0.1661	-0.065	0.0685	0.0913	-0.1847	-0.0029	0.3946	-0.1797	0.0412	0.7717	-0.0311	0.5556	-35.506	-40.461	161.9872
42	0.029	0.0161	0.0241	0.0356	0.098	0.2097	0.1923	-0.1279	0.1668	0.1584	0.0084	0.0123	-0.1115	0.0797	0.5259	0.7383	-0.1834	0.3479	0.2421	-0.1939	0.3283	9.7429	13.9286	195.9985
43	0.4597	-0.0459	0.1515	0.0622	0.0356	0.3065	0.2035	0.0794	0.0816	0.0223	0.1448	0.027	-0.3776	0.0075	0.9359	0.6241	0.0131	0.3725	0.216	-0.0628	0.3296	-8.4497	-11.7548	180.8844
44	0.0526	-0.0622	-0.0393	0.124	0.078	0.0604	0.0109	0.197	-0.0032	-0.1549	0.065	0.0589	0.0427	-0.1689	0.0181	0.785	-0.3538	0.1422	0.7356	-0.0423	0.7044	-25.838	-62.8649	183.1909
45	0.0201	0.0027	-0.0044	0.0077	-0.0019	-0.0014	-0.0589	0.1447	-0.0304	0.0152	0.0094	0.11	0.1769	-0.1835	0.0003	0.8887	-0.1834	-0.0374	0.5837	-0.0707	0.6997	-22.6537	-61.675	180.44
46	0.0341	-0.008	0.0425	0.0005	-0.0262	0.0401	0.1271	-0.2532	0.1474	0.3349	0.1449	-0.2316	-0.2229	0.2624	0.1647	0.8953	-0.292	0.0465	0.6695	-0.3644	0.4183	24.0958	-7.8941	213.3608
47	0.153	-0.0253	-0.0945	0.0061	0.0034	0.4436	-0.1476	-0.1264	0.0397	0.0523	0.0487	0.0315	0.0396	0.2696	-0.3025	0.4891	-0.0166	0.1769	0.2484	-0.1417	0.1947	4.8311	-31.8508	196.8115

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resseq 3:60)
2	X-RAY DIFFRACTION	2	chain 'A' and (resseq 61:135)
3	X-RAY DIFFRACTION	3	chain 'A' and (resseq 136:276)
4	X-RAY DIFFRACTION	4	chain 'A' and (resseq 277:573)
5	X-RAY DIFFRACTION	5	chain 'B' and (resseq 3:60)
6	X-RAY DIFFRACTION	6	chain 'B' and (resseq 61:97)
7	X-RAY DIFFRACTION	7	chain 'B' and (resseq 98:573)
8	X-RAY DIFFRACTION	8	chain 'C' and (resseq 3:60)
9	X-RAY DIFFRACTION	9	chain 'C' and (resseq 61:135)
10	X-RAY DIFFRACTION	10	chain 'C' and (resseq 136:285)
11	X-RAY DIFFRACTION	11	chain 'C' and (resseq 286:573)
12	X-RAY DIFFRACTION	12	chain 'D' and (resseq 3:88)
13	X-RAY DIFFRACTION	13	chain 'D' and (resseq 89:177)
14	X-RAY DIFFRACTION	14	chain 'D' and (resseq 178:243)
15	X-RAY DIFFRACTION	15	chain 'D' and (resseq 244:573)
16	X-RAY DIFFRACTION	16	chain 'E' and (resseq 3:73)
17	X-RAY DIFFRACTION	17	chain 'E' and (resseq 74:135)
18	X-RAY DIFFRACTION	18	chain 'E' and (resseq 136:215)
19	X-RAY DIFFRACTION	19	chain 'E' and (resseq 216:573)
20	X-RAY DIFFRACTION	20	chain 'F' and (resseq 3:88)
21	X-RAY DIFFRACTION	21	chain 'F' and (resseq 89:158)
22	X-RAY DIFFRACTION	22	chain 'F' and (resseq 159:276)
23	X-RAY DIFFRACTION	23	chain 'F' and (resseq 277:573)
24	X-RAY DIFFRACTION	24	chain 'G' and (resseq 3:60)
25	X-RAY DIFFRACTION	25	chain 'G' and (resseq 61:135)
26	X-RAY DIFFRACTION	26	chain 'G' and (resseq 136:276)
27	X-RAY DIFFRACTION	27	chain 'G' and (resseq 277:573)
28	X-RAY DIFFRACTION	28	chain 'H' and (resseq 3:60)
29	X-RAY DIFFRACTION	29	chain 'H' and (resseq 61:135)
30	X-RAY DIFFRACTION	30	chain 'H' and (resseq 136:276)
31	X-RAY DIFFRACTION	31	chain 'H' and (resseq 277:573)
32	X-RAY DIFFRACTION	32	chain 'I' and (resseq 3:60)
33	X-RAY DIFFRACTION	33	chain 'I' and (resseq 61:135)
34	X-RAY DIFFRACTION	34	chain 'I' and (resseq 136:276)
35	X-RAY DIFFRACTION	35	chain 'I' and (resseq 277:573)
36	X-RAY DIFFRACTION	36	chain 'J' and (resseq 3:60)
37	X-RAY DIFFRACTION	37	chain 'J' and (resseq 61:135)
38	X-RAY DIFFRACTION	38	chain 'J' and (resseq 136:276)
39	X-RAY DIFFRACTION	39	chain 'J' and (resseq 277:573)
40	X-RAY DIFFRACTION	40	chain 'K' and (resseq 3:60)
41	X-RAY DIFFRACTION	41	chain 'K' and (resseq 61:135)
42	X-RAY DIFFRACTION	42	chain 'K' and (resseq 136:276)
43	X-RAY DIFFRACTION	43	chain 'K' and (resseq 277:573)
44	X-RAY DIFFRACTION	44	chain 'L' and (resseq 3:60)
45	X-RAY DIFFRACTION	45	chain 'L' and (resseq 61:135)
46	X-RAY DIFFRACTION	46	chain 'L' and (resseq 136:276)
47	X-RAY DIFFRACTION	47	chain 'L' and (resseq 277:573)

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