PDB-4ct4: CNOT1 MIF4G domain - DDX6 complex

ID or keywords:

Entry

Database: PDB / ID: 4ct4

Title

CNOT1 MIF4G domain - DDX6 complex

Components

CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1
PROBABLE ATP-DEPENDENT RNA HELICASE DDX6

Keywords

RNA BINDING PROTEIN / DEADENYLATION / TRANSCRIPTION

Function / homology

Function and homology information

concave side of sperm head / outer dense fiber / sperm annulus / positive regulation of cytoplasmic mRNA processing body assembly / armadillo repeat domain binding / CCR4-NOT core complex / spermatid differentiation / CCR4-NOT complex / regulation of stem cell population maintenance / mRNA decay by 5' to 3' exoribonuclease ...concave side of sperm head / outer dense fiber / sperm annulus / positive regulation of cytoplasmic mRNA processing body assembly / armadillo repeat domain binding / CCR4-NOT core complex / spermatid differentiation / CCR4-NOT complex / regulation of stem cell population maintenance / mRNA decay by 5' to 3' exoribonuclease / positive regulation of mRNA catabolic process / negative regulation of retinoic acid receptor signaling pathway / nuclear-transcribed mRNA poly(A) tail shortening / negative regulation of intracellular estrogen receptor signaling pathway / chromatoid body / trophectodermal cell differentiation / miRNA-mediated post-transcriptional gene silencing / viral RNA genome packaging / Deadenylation of mRNA / miRNA-mediated gene silencing by inhibition of translation / nuclear retinoic acid receptor binding / M-decay: degradation of maternal mRNAs by maternally stored factors / RISC complex / peroxisomal membrane / nuclear-transcribed mRNA catabolic process, deadenylation-dependent decay / P-body assembly / TP53 regulates transcription of additional cell cycle genes whose exact role in the p53 pathway remain uncertain / positive regulation of nuclear-transcribed mRNA catabolic process, deadenylation-dependent decay / stem cell population maintenance / negative regulation of neuron differentiation / positive regulation of nuclear-transcribed mRNA poly(A) tail shortening / heterochromatin / stress granule assembly / nuclear estrogen receptor binding / adherens junction / P-body / helicase activity / cytoplasmic ribonucleoprotein granule / neuron differentiation / cytoplasmic stress granule / molecular adaptor activity / RNA helicase activity / negative regulation of translation / RNA helicase / cadherin binding / protein domain specific binding / mRNA binding / perinuclear region of cytoplasm / negative regulation of transcription by RNA polymerase II / ATP hydrolysis activity / extracellular space / RNA binding / ATP binding / nucleus / membrane / plasma membrane / cytoplasm / cytosol
Similarity search - Function

: / CCR4-NOT transcription complex subunit 1, N-terminal domain / CCR4-NOT transcription complex subunit 1, NOT1_connector / : / CCR4-Not complex component, Not1, C-terminal / CCR4-NOT transcription complex subunit 1, domain 4 / CCR4-NOT transcription complex subunit 1, CAF1-binding domain / CCR4-NOT transcription complex subunit 1, TTP binding domain / CCR4-NOT transcription complex subunit 1, HEAT repeat / CCR4-NOT subunit 1, TTP binding domain superfamily ...
Similarity search - Domain/homology

Biological species

HOMO SAPIENS (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.3 Å

Authors

Ozgur, S. / Basquin, J. / Conti, E.

Citation

Journal: Mol.Cell / Year: 2014
Title: Structural and Biochemical Insights to the Role of the Ccr4- not Complex and Ddx6 ATPase in Microrna Repression.
Authors: Mathys, H. / Basquin, J. / Ozgur, S. / Czarnocki-Cieciura, M. / Bonneau, F. / Aartse, A. / Dziembowski, A. / Nowotny, M. / Conti, E. / Filipowicz, W.

History

Deposition	Mar 12, 2014	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	May 7, 2014	Provider: repository / Type: Initial release
Revision 1.1	Jun 18, 2014	Group: Database references
Revision 1.2	Dec 20, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / 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 / _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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Download

PDBx/mmCIF format	4ct4.cif.gz	506 KB	Display	PDBx/mmCIF format
PDB format	pdb4ct4.ent.gz	417.5 KB	Display	PDB format
PDBx/mmJSON format	4ct4.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	4ct4_validation.pdf.gz	448.5 KB	Display	wwPDB validaton report
Full document	4ct4_full_validation.pdf.gz	456.3 KB	Display
Data in XML	4ct4_validation.xml.gz	43.8 KB	Display
Data in CIF	4ct4_validation.cif.gz	62.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ct/4ct4 ftp://data.pdbj.org/pub/pdb/validation_reports/ct/4ct4	HTTPS FTP

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Related structure data

Related structure data	4ct5C 4ct6C 4ct7C 4cv5C 2waxS 4gmlS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	6lw4-d 5u8o-2 3q3h-1 2j7u-d 2hfz-d 3tsr-2 5k5m-d 1b0a-1 1dfj-d 2j7w-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	#230 - Feb 2019 Initiation Factor eIF4E similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #106 - Oct 2008 Poly(A) Polymerase similarity (1) #86 - Feb 2007 Exosomes similarity (1) #213 - Sep 2017 Sirtuins similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #221 - May 2018 Human Papillomavirus and Vaccines similarity (1) #234 - Jun 2019 MDM2 and Cancer similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#230 - Feb 2019
Initiation Factor eIF4E
similarity (1)
#31 - Jul 2002
p53 Tumor Suppressor
similarity (1)
#106 - Oct 2008
Poly(A) Polymerase
similarity (1)
#86 - Feb 2007
Exosomes
similarity (1)
#213 - Sep 2017
Sirtuins
similarity (1)
#122 - Feb 2010
Enhanceosome
similarity (1)
#221 - May 2018
Human Papillomavirus and Vaccines
similarity (1)
#234 - Jun 2019
MDM2 and Cancer
similarity (1)

Deposited unit

A: CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1

B: PROBABLE ATP-DEPENDENT RNA HELICASE DDX6

C: CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1

D: PROBABLE ATP-DEPENDENT RNA HELICASE DDX6

hetero molecules

146 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1

B: PROBABLE ATP-DEPENDENT RNA HELICASE DDX6

hetero molecules

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

2

C: CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1

D: PROBABLE ATP-DEPENDENT RNA HELICASE DDX6

hetero molecules

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

Unit cell

Length a, b, c (Å)	71.531, 120.014, 78.469
Angle α, β, γ (deg.)	90.00, 104.01, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	2

/ NCS ensembles :

ID
1
2

#1: Protein	CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1 / CCR4-ASSOCIATED FACTOR 1 / NEGATIVE REGULATOR OF TRANSCRIPTION SUBUNIT 1 HOMOLOG / NOT1H / HNOT1 Mass: 29695.352 Da / Num. of mol.: 2 / Fragment: MIF4G DOMAIN, RESIDUES 1063-1314 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Plasmid: PEC_HIS_SUMO / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): PRARE / References: UniProt: A5YKK6
#2: Protein	PROBABLE ATP-DEPENDENT RNA HELICASE DDX6 / ATP-DEPENDENT RNA HELICASE P54 / DEAD BOX PROTEIN 6 / ONCOGENE RCK / DDX6 Mass: 43189.195 Da / Num. of mol.: 2 / Fragment: RECA1 AND RECA2, RESIDUES 95-469 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Plasmid: PEC_HIS_SUMO / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): PRARE / References: UniProt: P26196
#3: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#4: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 268 / Source method: isolated from a natural source / Formula: H₂O
Sequence details	FIRST 6 AMINO ACIDS (QGPDSM) COMING FROM REMAINING TAG CLEAVAGE FIRST 3 AMINO ACIDS (RSM) COMING ...FIRST 6 AMINO ACIDS (QGPDSM) COMING FROM REMAINING TAG CLEAVAGE FIRST 3 AMINO ACIDS (RSM) COMING FROM REMAINING TAG CLEAVAGE

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.3 Å³/Da / Density % sol: 46 % / Description: NONE
Crystal grow	pH: 6.5 / Details: 100 MM MES PH 6.5, 300 MM MGCL2

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 1
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 7, 2013 / Details: MIRRORS
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.29→76.15 Å / Num. obs: 66414 / % possible obs: 98.9 % / Observed criterion σ(I): 2.2 / Redundancy: 4.7 % / R_merge(I) obs: 0.07 / Net I/σ(I): 11.6
Reflection shell	Resolution: 2.29→2.41 Å / Redundancy: 4.5 % / R_merge(I) obs: 0.66 / Mean I/σ(I) obs: 2.2 / % possible all: 93

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
XDS		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4GML AND PDB ENTRY 2WAX

4gml

2wax

Resolution: 2.3→64.29 Å / SU ML: 0.3 / σ(F): 1.28 / Phase error: 23.91 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2198	5578	5 %
R_work	0.166	-	-
obs	0.1687	55957	99.48 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.3→64.29 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9653	0	5	268	9926

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	9822
X-RAY DIFFRACTION	f_angle_d	1.185	13296
X-RAY DIFFRACTION	f_dihedral_angle_d	12.849	3685
X-RAY DIFFRACTION	f_chiral_restr	0.077	1568
X-RAY DIFFRACTION	f_plane_restr	0.006	1688

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 (%)
2.3-2.3262	0.3168	185	0.2648	3556	X-RAY DIFFRACTION	100
2.3262-2.3535	0.3368	183	0.2726	3507	X-RAY DIFFRACTION	100
2.3535-2.3822	0.3392	191	0.2579	3650	X-RAY DIFFRACTION	100
2.3822-2.4124	0.3326	180	0.2478	3439	X-RAY DIFFRACTION	100
2.4124-2.4441	0.2791	190	0.2386	3599	X-RAY DIFFRACTION	100
2.4441-2.4776	0.2985	184	0.2328	3566	X-RAY DIFFRACTION	99
2.4776-2.513	0.2714	188	0.2294	3527	X-RAY DIFFRACTION	100
2.513-2.5505	0.2711	191	0.2326	3582	X-RAY DIFFRACTION	100
2.5505-2.5904	0.3018	181	0.2327	3502	X-RAY DIFFRACTION	99
2.5904-2.6328	0.279	188	0.2258	3569	X-RAY DIFFRACTION	99
2.6328-2.6782	0.3121	184	0.2281	3482	X-RAY DIFFRACTION	99
2.6782-2.7269	0.275	186	0.2172	3559	X-RAY DIFFRACTION	99
2.7269-2.7794	0.2717	183	0.2003	3511	X-RAY DIFFRACTION	99
2.7794-2.8361	0.2665	178	0.2005	3544	X-RAY DIFFRACTION	99
2.8361-2.8978	0.2719	190	0.1816	3573	X-RAY DIFFRACTION	100
2.8978-2.9652	0.2478	187	0.1793	3558	X-RAY DIFFRACTION	100
2.9652-3.0394	0.2633	189	0.1857	3572	X-RAY DIFFRACTION	100
3.0394-3.1215	0.24	188	0.1881	3591	X-RAY DIFFRACTION	100
3.1215-3.2134	0.2046	185	0.1938	3483	X-RAY DIFFRACTION	100
3.2134-3.3171	0.2467	189	0.1808	3591	X-RAY DIFFRACTION	100
3.3171-3.4356	0.2502	186	0.1724	3576	X-RAY DIFFRACTION	100
3.4356-3.5732	0.2018	190	0.1606	3555	X-RAY DIFFRACTION	100
3.5732-3.7358	0.191	187	0.1426	3541	X-RAY DIFFRACTION	100
3.7358-3.9327	0.1562	182	0.1354	3519	X-RAY DIFFRACTION	100
3.9327-4.1791	0.171	187	0.131	3547	X-RAY DIFFRACTION	100
4.1791-4.5017	0.1897	187	0.1225	3527	X-RAY DIFFRACTION	99
4.5017-4.9546	0.1794	185	0.1206	3533	X-RAY DIFFRACTION	99
4.9546-5.6711	0.1942	181	0.1477	3528	X-RAY DIFFRACTION	99
5.6711-7.1435	0.2099	187	0.1755	3555	X-RAY DIFFRACTION	99
7.1435-64.3153	0.1761	186	0.1271	3494	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	0.3752	-1.3766	-1.7028	5.4264	6.6926	8.3064	-0.0747	0.3693	1.7193	-1.1825	-0.4872	0.9146	-0.8726	-0.7899	0.4718	0.5888	0.0199	-0.013	0.5034	0.0066	1.2513	13.6973	23.3618	4.1328
2	4.3962	0.972	0.9264	1.0333	2.0387	5.6909	0.566	-0.8009	1.3713	1.2218	-0.9936	0.9182	0.0934	-0.2045	-0.0896	0.6549	-0.308	0.334	0.7078	-0.4917	0.8654	25.1794	25.3513	21.0097
3	0.8294	-1.0257	-2.3326	2.0339	2.5755	6.4463	1.0323	-1.3304	1.6638	1.0022	-0.2246	0.7529	0.0667	-0.7762	0.1903	0.5712	-0.1557	0.4417	0.87	-0.6046	1.4656	15.0237	26.7007	19.7041
4	1.7087	-0.4997	-1.9603	0.63	0.8274	2.8212	0.7366	-0.9893	0.7788	0.7204	-0.7487	0.9631	-0.0428	-0.1165	-0.0235	0.5552	-0.2805	0.3102	0.796	-0.3163	0.7041	17.9997	16.0924	18.6623
5	4.6626	1.5751	-1.5995	8.0467	-2.7194	8.0939	0.1694	-0.0848	0.5523	-0.2214	-0.1033	0.7295	-0.1752	-0.1743	-0.0053	0.2778	-0.0671	0.0335	0.4516	-0.1091	0.3794	12.499	8.0554	8.8251
6	8.4959	3.0423	-0.344	7.4974	3.3781	2.4888	0.0927	1.6946	-0.2287	-1.006	-0.2619	0.4096	-0.7075	-0.7958	0.1648	0.4642	0.0531	-0.107	0.6285	-0.1309	0.413	10.3788	-2.6618	-0.7503
7	4.1705	-1.7661	-4.3935	4.4482	1.7001	7.9781	-0.0182	-0.873	-1.0491	0.4847	-0.2696	0.6918	0.2465	0.2498	0.2834	0.2705	-0.0936	0.0223	0.5846	0.0893	0.5167	13.5015	-5.952	13.8738
8	2.6076	-0.1729	1.3669	4.0985	3.3035	3.5602	0.176	1.1076	-1.7333	-1.2289	-0.6368	0.3781	-0.3744	-0.9978	0.4197	0.4227	-0.0799	0.01	0.7114	-0.1747	0.5327	20.6023	-10.615	-1.836
9	2.1636	1.7735	-3.4866	7.6402	2.1723	9.5632	-0.4155	-0.4427	-1.2762	0.6714	0.1437	0.2782	0.8221	0.0306	0.2589	0.3258	0.0144	0.0277	0.603	0.162	0.5358	19.4488	-12.2887	12.4676
10	5.6219	3.8545	-6.5428	7.6633	-6.4073	8.3635	-0.4037	1.619	-1.543	-0.792	0.6818	2.2161	1.5514	-2.456	-0.3234	0.4841	-0.2104	0.0699	0.7826	-0.3188	1.5059	4.5458	-14.918	1.2087
11	9.092	-2.0934	-2.6041	5.9473	3.5954	8.5798	0.2413	1.1419	0.5283	-0.7024	-0.278	-0.1807	-0.5625	-0.1501	0.0146	0.3227	0.0289	0.0067	0.4254	0.0631	0.3497	34.9754	-6.5915	-2.5097
12	3.0958	-0.3065	-0.0138	1.879	-0.1045	5.4084	-0.0632	-0.3529	-0.0682	0.2011	0.1217	-0.0895	0.0303	-0.1282	-0.045	0.27	-0.0055	0.0061	0.3369	-0.0311	0.2614	50.6904	-8.3219	10.098
13	8.1942	5.4671	2.1763	6.6251	-1.1498	6.3888	-0.1382	-0.5212	-0.1951	-0.1227	0.0202	-0.5302	-0.7724	1.0015	0.1167	0.3645	-0.0343	-0.0074	0.5616	-0.097	0.3705	65.1821	-7.3964	6.9511
14	6.37	-3.4617	2.3409	2.523	0.0366	7.446	-0.0589	0.5349	0.5274	-0.0673	-0.1973	-0.529	-0.1007	0.6597	0.2671	0.3061	-0.0247	0.0183	0.4188	-0.0254	0.284	59.7805	-2.9406	-2.7135
15	7.3581	-3.8164	7.1979	9.1898	-6.6316	8.4267	0.0455	0.2711	-0.2293	0.0539	-0.225	0.5344	-0.0214	0.7943	0.1664	0.3978	-0.0416	0.0593	0.3797	-0.0515	0.271	55.5823	-3.487	-7.8427
16	4.4092	2.5053	0.2345	6.3068	-1.2866	2.5455	0.0759	-0.1606	0.7602	0.0177	-0.1288	0.8297	-0.106	-0.0701	0.0386	0.2818	-0.0161	0.0536	0.3195	-0.0906	0.4034	36.0581	29.6139	6.571
17	3.6499	1.1113	-0.3495	6.3475	-0.8547	1.9525	0.2878	-0.8765	-0.0906	0.7238	-0.5507	-0.3105	-0.0658	0.6611	0.2472	0.4057	-0.121	-0.0255	0.7226	-0.0167	0.3078	44.3919	21.616	18.5084
18	2.7782	2.4999	3.4818	7.7911	-1.6654	8.7656	0.2274	0.3605	-1.0687	-0.491	-0.2333	-1.3019	1.4196	1.201	-0.0265	0.5188	0.126	0.1207	0.6027	-0.1165	0.6489	41.0252	15.6751	8.3638
19	5.2183	-1.4335	-0.9286	8.8338	0.9069	6.096	-0.0347	0.2006	0.1092	-0.8076	-0.2121	-0.0391	0.1816	0.128	0.2171	0.3437	0.0345	0.0299	0.3206	0.0223	0.2524	42.4429	28.6068	-0.8341
20	6.1263	-3.5447	1.4445	6.645	-0.1696	7.6277	-0.9579	0.7171	-0.3277	0.4592	0.6385	0.5354	0.7084	-0.4668	0.3986	0.8057	0.0475	0.1486	0.8471	0.4521	1.2518	27.4268	39.8801	6.6557
21	3.9583	-4.7769	0.7249	6.1074	0.1382	2.9105	-0.4263	-1.4719	0.5136	-0.3683	0.2131	1.2792	-1.262	0.28	-0.0148	0.7196	0.2493	0.0963	0.8496	-0.08	0.7675	7.8555	13.1693	-20.8177
22	2.4743	-1.4826	0.6027	5.3917	-0.1562	3.3701	-0.086	0.0333	1.1589	0.4042	0.1191	-0.5403	-0.7244	1.0666	-0.0682	0.6527	-0.2574	0.1667	0.7794	0.0268	0.7178	12.3929	21.7126	-31.3431
23	6.1067	1.9603	3.5342	6.7864	4.5083	7.7926	-0.2709	2.0752	2.9641	-1.5341	0.0157	-1.0359	-1.0971	-0.0634	0.2614	0.8945	-0.1319	0.2266	0.7669	0.2537	0.7566	8.8609	26.7573	-43.8307
24	1.6781	0.7302	-0.5723	3.876	-2.1448	1.9292	0.1968	0.1299	0.9325	-0.3733	-0.1517	-0.7804	-0.6451	0.8812	0.0178	0.6217	-0.1647	0.2479	0.6533	0.0696	0.8161	13.4089	17.5861	-37.2321
25	8.6189	-0.4752	-1.4276	4.4234	-5.6038	8.4737	0.3653	-0.7172	0.5918	0.9377	0.2054	-0.3471	-0.8683	0.532	-0.3261	0.5381	-0.1061	0.0217	0.8945	-0.2322	0.6929	20.4975	7.9349	-29.3453
26	6.671	-2.691	-0.7	7.2687	1.0639	2.8524	-0.1232	-0.4039	0.0935	0.1515	0.23	-0.6276	-0.2669	1.0564	-0.0729	0.2843	-0.0613	0.0318	0.7144	0.0224	0.4113	19.3524	2.0675	-36.855
27	2.8625	-1.3346	1.7219	8.0523	-2.9819	6.4544	-0.2254	-0.8219	0.0386	0.5065	-0.0302	-0.6023	-0.0258	-0.0305	0.237	0.2792	0.0967	-0.0235	0.8124	0.089	0.4031	18.2593	-7.096	-30.4452
28	3.3508	-2.4353	0.0657	4.4305	-3.7341	5.1996	0.3734	-0.8223	0.0842	-0.7928	0.0173	0.175	0.346	0.1859	-0.3735	0.5016	0.0222	-0.013	0.8325	0.0397	0.3776	18.0595	-4.1464	-50.3573
29	4.7199	-0.7553	0.9043	2.4612	0.1698	3.0825	-0.3922	-0.6701	-0.7747	0.0229	0.0236	-0.1456	0.8822	1.074	0.3087	0.3979	0.2113	0.0671	0.7125	0.1774	0.4491	15.9551	-14.7956	-34.8975
30	6.2715	-2.7159	6.1622	6.2815	-1.7204	6.6627	0.2565	-0.026	-1.0289	-0.2529	-0.189	-0.3363	0.9417	1.0921	-0.1827	0.4128	0.1949	0.1004	0.728	0.1591	0.4572	18.5735	-17.035	-38.4627
31	7.6419	1.1843	-3.0247	2.1946	-0.0933	3.5248	0.0894	-0.9366	-0.0364	0.1716	-0.0944	-0.1381	0.363	0.7289	0.0567	0.421	0.0553	-0.0286	0.4793	0.0751	0.2447	-7.3534	-12.4568	-25.1728
32	8.6825	2.0896	1.1941	6.9525	4.5789	4.2465	0.0325	0.3021	-0.5085	-0.228	0.2266	-0.4811	0.0186	-0.1325	-0.1772	0.4856	0.018	0.121	0.3741	0.1233	0.2405	-14.1773	-15.0541	-34.3186
33	3.5051	2.1141	2.069	0.8503	0.5843	6.7341	-0.3593	1.0006	0.6833	-0.4419	-0.018	0.1776	-0.1663	0.2923	0.3318	0.4362	-0.0436	-0.0152	0.4019	0.1288	0.3667	-15.5824	-7.2875	-42.1073
34	4.6196	-3.4268	3.4589	3.9755	-3.4942	3.1632	-0.2202	1.5015	-0.3398	-1.5241	0.5815	-0.8929	-0.5544	1.3571	-0.2811	0.7529	-0.0807	0.104	0.8817	-0.0831	0.3729	-20.3611	-13.8516	-52.9759
35	4.5491	0.5432	0.011	2.5163	1.025	8.4631	-0.0863	0.0721	0.2021	-0.0436	-0.1053	0.485	0.1841	-0.7246	0.1811	0.2987	-0.0403	0.0109	0.2882	0.0098	0.307	-27.3806	-11.2498	-35.0616
36	3.935	2.8806	4.4757	2.5804	3.3567	5.9703	0.2298	-0.6453	0.2702	0.0229	-0.3731	0.2461	0.0525	-0.9419	0.2114	0.5466	-0.0612	0.2181	0.5507	-0.0261	0.4748	-25.4988	-9.0342	-19.2452
37	2.4629	0.4894	-0.1323	0.9733	0.5504	4.071	0.0771	0.2213	0.6603	-0.2536	-0.0624	0.0279	-0.93	-0.0783	0.0314	0.6669	0.0389	0.0941	0.2982	0.0899	0.4751	-9.8081	22.2353	-30.505
38	9.1645	-4.5999	-1.2215	4.1356	3.2708	5.242	0.1619	0.6332	0.2739	-0.1902	0.128	0.255	0.0032	-0.3856	-0.225	0.6387	-0.0137	0.0885	0.4331	0.1447	0.3882	-10.1912	13.1702	-38.1414
39	9.5035	-5.5782	-6.518	3.4514	4.1516	9.2658	0.0411	-0.3447	-0.0625	0.0152	0.1296	0.5347	-0.5321	0.079	-0.0037	0.4079	-0.0293	0.0204	0.2593	0.0411	0.3862	-10.1614	17.0941	-25.9248
40	3.7842	2.1397	-0.3351	7.4914	-0.1509	8.0284	-0.0264	-0.6102	0.1064	0.5529	0.0192	0.2621	-0.1989	0.0233	0.0222	0.4011	0.0422	0.0823	0.4372	-0.0181	0.3666	-11.752	16.8809	-16.8796

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(CHAIN A AND RESID 1066:1088)
2	X-RAY DIFFRACTION	2	(CHAIN A AND RESID 1089:1110)
3	X-RAY DIFFRACTION	3	(CHAIN A AND RESID 1111:1129)
4	X-RAY DIFFRACTION	4	(CHAIN A AND RESID 1130:1161)
5	X-RAY DIFFRACTION	5	(CHAIN A AND RESID 1162:1212)
6	X-RAY DIFFRACTION	6	(CHAIN A AND RESID 1213:1229)
7	X-RAY DIFFRACTION	7	(CHAIN A AND RESID 1230:1267)
8	X-RAY DIFFRACTION	8	(CHAIN A AND RESID 1268:1275)
9	X-RAY DIFFRACTION	9	(CHAIN A AND RESID 1276:1294)
10	X-RAY DIFFRACTION	10	(CHAIN A AND RESID 1295:1301)
11	X-RAY DIFFRACTION	11	(CHAIN B AND RESID 92:126)
12	X-RAY DIFFRACTION	12	(CHAIN B AND RESID 127:253)
13	X-RAY DIFFRACTION	13	(CHAIN B AND RESID 254:269)
14	X-RAY DIFFRACTION	14	(CHAIN B AND RESID 270:288)
15	X-RAY DIFFRACTION	15	(CHAIN B AND RESID 289:302)
16	X-RAY DIFFRACTION	16	(CHAIN B AND RESID 303:340)
17	X-RAY DIFFRACTION	17	(CHAIN B AND RESID 341:392)
18	X-RAY DIFFRACTION	18	(CHAIN B AND RESID 393:406)
19	X-RAY DIFFRACTION	19	(CHAIN B AND RESID 407:462)
20	X-RAY DIFFRACTION	20	(CHAIN B AND RESID 463:469)
21	X-RAY DIFFRACTION	21	(CHAIN C AND RESID 1064:1071)
22	X-RAY DIFFRACTION	22	(CHAIN C AND RESID 1072:1107)
23	X-RAY DIFFRACTION	23	(CHAIN C AND RESID 1108:1114)
24	X-RAY DIFFRACTION	24	(CHAIN C AND RESID 1115:1154)
25	X-RAY DIFFRACTION	25	(CHAIN C AND RESID 1155:1181)
26	X-RAY DIFFRACTION	26	(CHAIN C AND RESID 1182:1215)
27	X-RAY DIFFRACTION	27	(CHAIN C AND RESID 1216:1241)
28	X-RAY DIFFRACTION	28	(CHAIN C AND RESID 1242:1251)
29	X-RAY DIFFRACTION	29	(CHAIN C AND RESID 1252:1279)
30	X-RAY DIFFRACTION	30	(CHAIN C AND RESID 1280:1303)
31	X-RAY DIFFRACTION	31	(CHAIN D AND RESID 95:140)
32	X-RAY DIFFRACTION	32	(CHAIN D AND RESID 141:167)
33	X-RAY DIFFRACTION	33	(CHAIN D AND RESID 168:206)
34	X-RAY DIFFRACTION	34	(CHAIN D AND RESID 207:214)
35	X-RAY DIFFRACTION	35	(CHAIN D AND RESID 215:284)
36	X-RAY DIFFRACTION	36	(CHAIN D AND RESID 285:303)
37	X-RAY DIFFRACTION	37	(CHAIN D AND RESID 304:374)
38	X-RAY DIFFRACTION	38	(CHAIN D AND RESID 375:398)
39	X-RAY DIFFRACTION	39	(CHAIN D AND RESID 399:413)
40	X-RAY DIFFRACTION	40	(CHAIN D AND RESID 414:462)

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