PDB-4cyi: Chaetomium thermophilum Pan3

ID or keywords:

Entry

Database: PDB / ID: 4cyi

Title

Chaetomium thermophilum Pan3

Components

PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

Keywords

TRANSFERASE

Function / homology

Function and homology information

PAN complex / nuclear-transcribed mRNA poly(A) tail shortening / poly(A) binding / P-body / mRNA processing / protein kinase activity / zinc ion binding / ATP binding
Similarity search - Function

Biological species

CHAETOMIUM THERMOPHILUM (fungus)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.42 Å

Authors

Wolf, J. / Valkov, E. / Allen, M.D. / Meineke, B. / Gordiyenko, Y. / McLaughlin, S.H. / Olsen, T.M. / Robinson, C.V. / Bycroft, M. / Stewart, M. / Passmore, L.A.

Citation

Journal: Embo J. / Year: 2014
Title: Structural Basis for Pan3 Binding to Pan2 and its Function in Mrna Recruitment and Deadenylation
Authors: Wolf, J. / Valkov, E. / Allen, M.D. / Meineke, B. / Gordiyenko, Y. / Mclaughlin, S.H. / Olsen, T.M. / Robinson, C.V. / Bycroft, M. / Stewart, M. / Passmore, L.A.

History

Deposition	Apr 11, 2014	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jun 11, 2014	Provider: repository / Type: Initial release
Revision 1.1	Jun 25, 2014	Group: Atomic model / Derived calculations / Other
Revision 1.2	Oct 22, 2014	Group: Database references
Revision 1.3	Apr 25, 2018	Group: Data collection / Category: diffrn_source / Item: _diffrn_source.pdbx_synchrotron_beamline
Revision 1.4	Nov 13, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_entry_details / pdbx_modification_feature / pdbx_struct_conn_angle / struct_conn / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_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_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_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.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 / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	4cyi.cif.gz	1.9 MB	Display	PDBx/mmCIF format
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Validation report

Summary document	4cyi_validation.pdf.gz	2.6 MB	Display	wwPDB validaton report
Full document	4cyi_full_validation.pdf.gz	2.6 MB	Display
Data in XML	4cyi_validation.xml.gz	137 KB	Display
Data in CIF	4cyi_validation.cif.gz	175.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/cy/4cyi ftp://data.pdbj.org/pub/pdb/validation_reports/cy/4cyi	HTTPS FTP

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Related structure data

Related structure data	4cyjC 4cykC C: citing same article (ref.)
Similar structure data	4bwx-d 4bwk-d 4c5m-d 5gyl-d 5yew-1 1q8i-d 4cyj-1 4c5k-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) 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

Related structure data

4cyjC

4cykC

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#245 - May 2020 Spliceosomes similarity (2)

Deposited unit

A: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

B: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

C: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

D: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

E: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

F: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

G: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

H: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

hetero molecules

408 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

E: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

F: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

hetero molecules

defined by author&software
102 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

D: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

hetero molecules

defined by author&software
102 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

A: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

B: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

hetero molecules

defined by author&software
102 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

G: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

H: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN

hetero molecules

defined by author&software
102 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	51.520, 146.040, 149.930
Angle α, β, γ (deg.)	89.81, 81.13, 82.77
Int Tables number	1
Space group name H-M	P1

#1: Protein	PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-L PROTEIN Mass: 50469.922 Da / Num. of mol.: 8 / Fragment: PKC, RESIDUES 203-640 Source method: isolated from a genetically manipulated source Source: (gene. exp.) CHAETOMIUM THERMOPHILUM (fungus) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: G0S0Y3*PLUS
#2: Chemical	ChemComp-ATP / ADENOSINE-5'-TRIPHOSPHATE Mass: 507.181 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₁₀H₁₆N₅O₁₃P₃ / Comment: ATP, energy-carrying molecule*YM
#3: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Mg
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 981 / 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: 1

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Sample preparation

Crystal	Density Matthews: 2.74 Å³/Da / Density % sol: 55.08 % / Description: NONE
Crystal grow	Details: SEE MANUASCRIPT

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Type: DIAMOND / Wavelength: 0.9795
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9795 Å / Relative weight: 1
Reflection	Resolution: 2.42→52.21 Å / Num. obs: 160956 / % possible obs: 98.5 % / Observed criterion σ(I): 2 / Redundancy: 7.3 % / B_iso Wilson estimate: 49.19 Å² / R_merge(I) obs: 0.04 / Net I/σ(I): 14.3
Reflection shell	Resolution: 2.42→2.48 Å / R_merge(I) obs: 0.36 / Mean I/σ(I) obs: 2.4 / % possible all: 98

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
XDS		data reduction
Aimless		data scaling
SHARP		phasing

Refinement

Method to determine structure:

SAD
Starting model: NONE

Resolution: 2.42→52.212 Å / SU ML: 0.31 / σ(F): 1.96 / Phase error: 28.46 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2343	8073	5 %
R_work	0.1903	-	-
obs	0.1925	160880	98.44 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 2.42→52.212 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	25980	0	256	981	27217

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.004	26781
X-RAY DIFFRACTION	f_angle_d	0.875	36271
X-RAY DIFFRACTION	f_dihedral_angle_d	13.509	9949
X-RAY DIFFRACTION	f_chiral_restr	0.035	4062
X-RAY DIFFRACTION	f_plane_restr	0.003	4594

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 (%)
2.42-2.4475	0.3455	256	0.2726	5186	X-RAY DIFFRACTION	98
2.4475-2.4763	0.3405	280	0.2571	5034	X-RAY DIFFRACTION	98
2.4763-2.5065	0.3003	250	0.2554	4968	X-RAY DIFFRACTION	98
2.5065-2.5382	0.3246	249	0.2442	5128	X-RAY DIFFRACTION	98
2.5382-2.5716	0.3148	299	0.2561	5112	X-RAY DIFFRACTION	98
2.5716-2.6068	0.3379	281	0.2593	4993	X-RAY DIFFRACTION	98
2.6068-2.6441	0.3144	276	0.2553	5024	X-RAY DIFFRACTION	98
2.6441-2.6836	0.3146	282	0.2404	5115	X-RAY DIFFRACTION	98
2.6836-2.7255	0.2835	266	0.227	5084	X-RAY DIFFRACTION	98
2.7255-2.7702	0.2765	259	0.2167	5022	X-RAY DIFFRACTION	98
2.7702-2.8179	0.2647	264	0.2088	5159	X-RAY DIFFRACTION	98
2.8179-2.8692	0.2695	250	0.2142	5150	X-RAY DIFFRACTION	98
2.8692-2.9243	0.2856	261	0.2063	5039	X-RAY DIFFRACTION	98
2.9243-2.984	0.2653	284	0.2125	5076	X-RAY DIFFRACTION	98
2.984-3.0489	0.2676	285	0.2111	5157	X-RAY DIFFRACTION	99
3.0489-3.1198	0.2816	273	0.2122	5006	X-RAY DIFFRACTION	99
3.1198-3.1978	0.2539	263	0.2095	5112	X-RAY DIFFRACTION	98
3.1978-3.2843	0.2393	266	0.1971	5097	X-RAY DIFFRACTION	99
3.2843-3.3809	0.2416	286	0.1923	5111	X-RAY DIFFRACTION	99
3.3809-3.49	0.2393	289	0.1908	5093	X-RAY DIFFRACTION	99
3.49-3.6147	0.2245	279	0.1841	5113	X-RAY DIFFRACTION	99
3.6147-3.7594	0.2148	254	0.1758	5129	X-RAY DIFFRACTION	99
3.7594-3.9305	0.2324	288	0.173	5130	X-RAY DIFFRACTION	99
3.9305-4.1376	0.1951	261	0.1619	5077	X-RAY DIFFRACTION	99
4.1376-4.3967	0.2023	268	0.1599	5109	X-RAY DIFFRACTION	98
4.3967-4.736	0.2042	272	0.1592	5142	X-RAY DIFFRACTION	99
4.736-5.2122	0.2133	248	0.1619	5152	X-RAY DIFFRACTION	99
5.2122-5.9655	0.2207	263	0.1996	5099	X-RAY DIFFRACTION	99
5.9655-7.5123	0.2141	272	0.1965	5113	X-RAY DIFFRACTION	99
7.5123-52.2241	0.1925	249	0.1779	5077	X-RAY DIFFRACTION	98

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	2.1778	-0.0129	0.7829	4.6064	0.5544	3.0643	-0.1172	-0.1139	0.0821	0.8398	0.1075	-0.7294	-0.0375	0.1807	0.0157	0.2565	0.0285	-0.0778	0.2104	-0.0164	0.333	73.9639	60.6393	69.8911
2	2.3219	0.5077	0.4533	3.3764	-0.2801	2.1364	0.0195	-0.0433	-0.3695	0.1509	0.0553	-0.0732	0.1436	-0.0616	-0.0418	0.1595	0.0239	0.0281	0.1773	-0.0328	0.2073	59.6436	50.2291	60.1319
3	3.3146	-1.0486	1.8686	4.9196	-0.9192	3.7395	-0.3031	-0.1699	0.1721	0.6972	-0.0974	-0.0004	-1.0861	-0.0155	0.2702	1.0168	0.018	-0.1154	0.3261	-0.0146	0.4245	63.9949	103.0517	65.1953
4	4.1707	-2.9704	0.8616	5.0507	-1.7119	1.9677	-0.4256	-0.0843	1.1317	0.3581	-0.1796	-1.1561	-1.0535	0.6366	0.276	1.1059	0.0006	-0.1508	0.445	0.1015	0.7198	70.047	109.6665	60.1849
5	4.5967	-2.2989	0.1036	6.1429	-0.8776	2.8698	-0.0952	-0.0614	0.4788	-0.1355	0.2013	-0.1125	-0.8339	0.1822	-0.1033	0.6505	-0.1217	0.0906	0.3528	0.0163	0.3485	54.2162	83.0759	40.0953
6	2.1725	0.5566	0.8076	4.5982	-0.1861	3.0448	0.0262	0.3873	0.1678	-1.037	0.0677	1.2523	-0.6343	-0.5612	-0.0696	0.5963	0.0902	-0.1597	0.4057	0.0469	0.4283	40.2879	76.9694	34.0543
7	0.8575	-0.4108	0.2012	2.9993	-0.043	3.6761	-0.0362	0.2834	-0.1701	-0.7985	0.1234	0.1495	0.2226	-0.1112	-0.048	0.4426	-0.0725	0.0217	0.2932	-0.0278	0.218	53.8325	60.7455	33.474
8	2.9035	-1.8981	1.2166	4.3591	-0.8005	3.3108	-0.2567	-0.2838	0.4179	1.2768	0.1011	-0.6409	-0.8366	0.011	0.124	1.1124	0.024	-0.2177	0.4025	0.0063	0.5333	71.7546	92.4893	76.5605
9	1.2314	-0.3601	-0.2282	2.3983	-0.964	5.2847	-0.0662	-0.1911	0.0874	0.7112	0.0765	0.189	-0.8124	-0.5758	0.0162	1.0323	0.0245	0.055	0.4768	-0.0625	0.2929	29.9547	70.5712	145.3543
10	2.2337	-0.1606	-0.2243	2.6001	0.3533	4.4415	-0.0641	-0.158	0.4325	0.4188	0.0604	-0.1546	-1.4506	0.1729	-0.0168	1.2813	-0.0999	-0.0327	0.3144	-0.0588	0.2325	39.6437	81.1476	131.5402
11	2.7085	-0.3281	-0.8008	4.7576	1.6207	4.4216	0.0005	-0.0171	-0.3376	0.0743	-0.1117	-0.1076	0.871	-0.0449	0.0925	1.1321	-0.1059	-0.0312	0.4122	-0.0357	0.5334	38.2737	28.2677	135.8514
12	1.5263	-2.2113	-1.369	5.5578	2.7589	2.7641	0.1682	-0.3014	-0.44	0.6459	-0.297	0.8585	1.5505	-0.7388	0.198	1.2997	-0.2373	0.0082	0.5713	-0.1848	0.7276	30.9895	22.2012	132.2036
13	3.44	-1.6569	0.4247	4.4571	0.2326	3.5527	-0.1325	-0.1001	-0.4349	0.3332	0.1028	0.417	0.6922	-0.1057	0.095	0.6117	-0.1428	-0.0331	0.3312	0.0048	0.3258	40.3882	48.6925	109.4722
14	1.9283	-0.1606	-1.2114	4.1568	0.0997	3.8816	0.0737	0.1205	-0.0592	-0.1754	-0.0552	-0.5356	0.1052	0.4464	-0.0407	0.3163	-0.0459	-0.0194	0.3256	0.0192	0.2174	50.3654	56.2531	99.682
15	0.8289	-0.425	0.6255	2.5125	-0.1057	3.0885	0.0006	0.0983	0.1485	-0.0617	0.0102	-0.0118	-0.8831	0.0596	-0.0268	0.6785	-0.039	-0.0262	0.2944	0.0042	0.251	38.2137	72.1882	104.3633
16	2.5615	-1.2948	-0.7334	4.3874	1.4285	3.4369	-0.0336	-0.2723	-0.2812	1.1313	-0.1016	0.2679	0.5609	-0.0607	0.0878	1.3408	-0.2167	0.0466	0.5138	0.0044	0.4415	34.0174	38.2109	149.2532
17	1.8044	-0.2596	-0.3622	2.1305	0.4687	3.1299	-0.297	0.2448	0.1523	-0.5164	0.0234	-0.0178	-1.1865	0.73	0.1309	0.7607	-0.3735	-0.1033	0.7266	0.0879	0.3407	68.4361	141.7274	13.7126
18	2.3513	-0.1473	0.757	2.1497	1.2675	4.4442	-0.5961	0.6146	0.7184	-0.4881	0.2645	-0.1884	-1.8526	0.7787	0.0704	1.5326	-0.6224	-0.247	0.5052	0.2648	0.4987	72.3099	155.6798	24.9643
19	3.1234	0.8096	-1.3784	5.8523	-1.8187	5.5035	-0.0098	0.0299	0.0228	0.3779	-0.2122	0.1927	0.6707	0.2447	0.1254	0.8311	-0.0522	0.0357	0.4624	0.0918	0.4144	56.5206	105.8022	24.2786
20	3.2447	1.0444	-1.1033	3.1202	-1.4213	4.9853	0.3816	0.0854	-0.8395	-0.6112	-0.6305	-1.0703	1.8397	0.6277	0.159	1.1115	0.164	0.0897	0.5658	0.227	0.6872	62.3706	97.8553	26.6354
21	5.3905	2.1344	-0.559	4.167	-0.4692	3.9396	-0.2415	0.0074	-0.4007	-0.1609	0.2003	-0.0133	0.5835	0.1862	0.051	0.5696	0.0655	-0.1504	0.357	-0.0079	0.4163	61.9292	126.3947	49.7454
22	3.2329	1.5143	0.2709	3.8705	0.7785	2.837	-0.0025	-0.5657	0.2852	0.3127	-0.2462	0.4761	-0.4948	-0.2104	0.1903	0.5146	0.0597	-0.092	0.3039	-0.0756	0.2702	58.0414	140.0991	59.2366
23	1.6241	0.9816	1.4105	1.2567	0.7435	1.9095	-0.3297	-0.0533	0.2296	-0.3352	0.234	-0.0481	-0.9172	0.4491	0.0367	1.0266	-0.2117	-0.185	0.4601	-0.0082	0.435	73.6394	149.386	52.9529
24	2.9485	2.4602	-1.1298	5.6234	-2.0556	5.1964	-0.3252	0.1708	-0.4115	-1.1037	0.1343	-0.24	1.2642	0.0841	0.131	0.8718	-0.0703	0.0524	0.5594	0.0903	0.4166	62.0972	114.4833	10.0696
25	2.3012	-1.2606	0.9602	2.4801	-0.5851	3.7773	-0.2369	0.3356	-0.171	-0.8489	0.1458	-0.0934	0.4199	-0.2075	0.0414	0.8179	-0.2054	-0.0027	0.5194	0.0283	0.3382	39.8899	136.5657	86.5714
26	2.0255	0.197	0.2361	2.3367	-0.9178	3.498	-0.0724	0.2149	-0.5214	-0.7627	0.3168	0.3673	1.3094	-0.8765	-0.1252	0.9227	-0.3933	-0.0762	0.5359	-0.0247	0.4413	35.4865	122.4059	96.7782
27	2.4	0.862	1.8449	4.7921	0.8363	3.7378	0.2282	-0.1912	0.1175	0.2805	-0.3861	0.0481	-0.5458	-0.0899	0.1507	0.9146	-0.1026	-0.0911	0.4172	-0.0335	0.4275	51.2009	170.4063	95.074
28	4.1102	1.2488	2.3752	4.3403	0.8839	2.2881	-0.0182	-0.0136	0.1905	-0.2064	-0.4278	0.7399	-1.543	-0.554	0.2468	1.1126	0.0484	-0.0197	0.63	-0.2454	0.5776	46.4588	179.75	98.976
29	5.3834	1.2606	0.2623	5.231	-0.3755	3.7569	-0.2428	0.1338	0.6232	0.0909	0.1294	0.2934	-0.9199	0.0911	0.0856	0.497	0.0046	0.1071	0.2504	-0.0039	0.3086	55.0375	151.3417	119.5865
30	2.7152	1.0284	-0.0068	3.7181	-1.1149	3.3851	0.094	-0.3832	-0.2923	0.1303	-0.2735	-0.6585	-0.1292	0.4344	0.0113	0.0814	0.037	0.0561	0.3386	0.0668	0.2797	60.2672	136.2135	127.0175
31	1.6978	0.8455	-0.4521	2.205	-1.6377	4.2772	-0.0134	-0.2595	-0.3403	-0.1556	0.1425	0.0239	0.2493	-0.149	-0.1237	0.2435	-0.0377	0.0265	0.3303	0.0566	0.3228	43.1572	127.5932	124.7806
32	4.2277	1.4821	1.0959	4.6811	1.2065	2.7629	-0.1934	0.2269	0.5088	-1.0104	-0.0615	0.4857	-0.634	-0.1664	0.1616	0.9813	-0.0843	-0.1773	0.455	-0.0219	0.4741	41.3451	163.9607	82.3722

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(CHAIN A AND RESID 215:344)
2	X-RAY DIFFRACTION	2	(CHAIN A AND RESID 345:527)
3	X-RAY DIFFRACTION	3	(CHAIN A AND RESID 528:596)
4	X-RAY DIFFRACTION	4	(CHAIN A AND RESID 597:631)
5	X-RAY DIFFRACTION	5	(CHAIN B AND RESID 213:260)
6	X-RAY DIFFRACTION	6	(CHAIN B AND RESID 261:350)
7	X-RAY DIFFRACTION	7	(CHAIN B AND RESID 351:523)
8	X-RAY DIFFRACTION	8	(CHAIN B AND RESID 524:631)
9	X-RAY DIFFRACTION	9	(CHAIN C AND RESID 215:334)
10	X-RAY DIFFRACTION	10	(CHAIN C AND RESID 335:527)
11	X-RAY DIFFRACTION	11	(CHAIN C AND RESID 528:596)
12	X-RAY DIFFRACTION	12	(CHAIN C AND RESID 597:631)
13	X-RAY DIFFRACTION	13	(CHAIN D AND RESID 214:260)
14	X-RAY DIFFRACTION	14	(CHAIN D AND RESID 261:353)
15	X-RAY DIFFRACTION	15	(CHAIN D AND RESID 354:523)
16	X-RAY DIFFRACTION	16	(CHAIN D AND RESID 524:631)
17	X-RAY DIFFRACTION	17	(CHAIN E AND RESID 215:285)
18	X-RAY DIFFRACTION	18	(CHAIN E AND RESID 286:526)
19	X-RAY DIFFRACTION	19	(CHAIN E AND RESID 527:597)
20	X-RAY DIFFRACTION	20	(CHAIN E AND RESID 598:631)
21	X-RAY DIFFRACTION	21	(CHAIN F AND RESID 213:260)
22	X-RAY DIFFRACTION	22	(CHAIN F AND RESID 261:432)
23	X-RAY DIFFRACTION	23	(CHAIN F AND RESID 433:523)
24	X-RAY DIFFRACTION	24	(CHAIN F AND RESID 524:631)
25	X-RAY DIFFRACTION	25	(CHAIN G AND RESID 214:266)
26	X-RAY DIFFRACTION	26	(CHAIN G AND RESID 267:520)
27	X-RAY DIFFRACTION	27	(CHAIN G AND RESID 521:597)
28	X-RAY DIFFRACTION	28	(CHAIN G AND RESID 598:631)
29	X-RAY DIFFRACTION	29	(CHAIN H AND RESID 215:260)
30	X-RAY DIFFRACTION	30	(CHAIN H AND RESID 261:435)
31	X-RAY DIFFRACTION	31	(CHAIN H AND RESID 436:523)
32	X-RAY DIFFRACTION	32	(CHAIN H AND RESID 524:631)

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