PDB-5bpi: Structure of TrmBL2, an archaeal chromatin protein, shows a novel...

ID or keywords:

Entry

Database: PDB / ID: 5bpi

Title

Structure of TrmBL2, an archaeal chromatin protein, shows a novel mode of DNA binding.

Components

DNA (5'-D(P*TP*AP*TP*AP*TP*CP*AP*CP*TP*AP*TP*CP*GP*AP*TP*GP*AP*TP*AP*TP*A)-3')
DNA (5'-D(P*TP*AP*TP*AP*TP*CP*AP*TP*CP*GP*AP*TP*AP*GP*TP*GP*AP*TP*AP*TP*A)-3')
TrmBL2

Keywords

DNA BINDING PROTEIN / Chromatin binding protein / Archaea

Function / homology

Function and homology information

Biological species

Pyrococcus furiosus (archaea)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.198 Å

Authors

Ahmad, M.U. / Diederichs, K. / Welte, W.

Citation

Journal: J.Mol.Biol. / Year: 2015
Title: Structural Insights into Nonspecific Binding of DNA by TrmBL2, an Archaeal Chromatin Protein.
Authors: Ahmad, M.U. / Waege, I. / Hausner, W. / Thomm, M. / Boos, W. / Diederichs, K. / Welte, W.

History

Deposition	May 28, 2015	Deposition site: RCSB / Processing site: PDBE
Revision 1.0	Sep 2, 2015	Provider: repository / Type: Initial release
Revision 1.1	Oct 7, 2015	Group: Database references
Revision 1.2	Jan 10, 2024	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 Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5bpi.cif.gz	488 KB	Display	PDBx/mmCIF format
PDB format	pdb5bpi.ent.gz	402.3 KB	Display	PDB format
PDBx/mmJSON format	5bpi.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	5bpi_validation.pdf.gz	484.8 KB	Display	wwPDB validaton report
Full document	5bpi_full_validation.pdf.gz	519.2 KB	Display
Data in XML	5bpi_validation.xml.gz	41.9 KB	Display
Data in CIF	5bpi_validation.cif.gz	55.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/bp/5bpi ftp://data.pdbj.org/pub/pdb/validation_reports/bp/5bpi	HTTPS FTP

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Related structure data

Related structure data	5boxC 5bpdSC 5bqtC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	5box-d 5bpd-d 4wvm-d 1432 4nrk-d 5ejj-3 6ws6-d 5o9a-d 2wre-d 1ghd-2 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	#67 - Jul 2005 TATA-Binding Protein similarity (1) #91 - Jul 2007 Thymine Dimers similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1) #168 - Dec 2013 DNA Helicase similarity (1) #253 - Jan 2021 Expressome similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (1) #84 - Dec 2006 Transposase similarity (1) #48 - Dec 2003 Catabolite Activator Protein similarity (1) #227 - Nov 2018 Telomerase similarity (1) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #150 - Jun 2012 Sliding Clamps similarity (1) #180 - Dec 2014 TAL Effectors similarity (1) #135 - Mar 2011 Integrase similarity (1) #40 - Apr 2003 RNA Polymerase similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #3 - Mar 2000 DNA Polymerase similarity (1) #139 - Jul 2011 DNA Methyltransferase similarity (1) #125 - May 2010 Parvoviruses similarity (1) #131 - Nov 2010 Inteins similarity (1) #8 - Aug 2000 Restriction Enzymes similarity (1) #7 - Jul 2000 Nucleosome similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #45 - Sep 2003 Estrogen Receptor similarity (1) #33 - Sep 2002 HIV Reverse Transcriptase similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1) #119 - Nov 2009 Designed DNA Crystal similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #23 - Nov 2001 DNA similarity (1) #190 - Oct 2015 Two-component Systems similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

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Deposited unit

A: TrmBL2

B: TrmBL2

C: TrmBL2

D: TrmBL2

E: DNA (5'-D(P*TP*AP*TP*AP*TP*CP*AP*TP*CP*GP*AP*TP*AP*GP*TP*GP*AP*TP*AP*TP*A)-3')

F: DNA (5'-D(P*TP*AP*TP*AP*TP*CP*AP*CP*TP*AP*TP*CP*GP*AP*TP*GP*AP*TP*AP*TP*A)-3')

hetero molecules

135 kDa, 6 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)	58.764, 154.379, 176.123
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	chain A and ( resseq 2:264)
2	1	chain B and ( resseq 2:264 )
1	2	chain C and ( resseq 2:115 or resseq 124:264 )
2	2	chain D and ( resseq 2:115 or resseq 124:264 )

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details	Auth asym-ID	Auth seq-ID
1	1	1	chain A and ( resseq 2:264)	A	2 - 264
2	1	1	chain B and ( resseq 2:264 )	B	0
1	1	2	chain C and ( resseq 2:115 or resseq 124:264 )	C	2 - 115
1	2	2	chain C and ( resseq 2:115 or resseq 124:264 )	C	124 - 264
2	1	2	chain D and ( resseq 2:115 or resseq 124:264 )	D	2 - 115
2	2	2	chain D and ( resseq 2:115 or resseq 124:264 )	D	124 - 264

NCS ensembles :

ID
1
2

#1: Protein	TrmBL2 Mass: 30520.393 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pyrococcus furiosus (archaea) / Gene: trmBL2, PF0496 / Plasmid: pET24d / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q8U3H1
#2: DNA chain	DNA (5'-D(PTPAPTPAPTPCPAPTPCPGPAPTPAPGPTPGPAPTPAPTPA)-3') Mass: 6460.221 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: TGM Sequence / Source: (synth.) Pyrococcus furiosus* (archaea)
#3: DNA chain	DNA (5'-D(PTPAPTPAPTPCPAPCPTPAPTPCPGPAPTPGPAPTPAPTPA)-3') Mass: 6420.197 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: TGM sequence / Source: (synth.) Pyrococcus furiosus* (archaea)
#4: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₃H₈O₃

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.96 Å³/Da / Density % sol: 58.44 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 0.1M Imidazole HCl, pH 8.0, 30% MPD and 10% PEG4000

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1.06269 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 4, 2013
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.06269 Å / Relative weight: 1
Reflection	Resolution: 3.198→50 Å / Num. obs: 27256 / % possible obs: 100 % / Redundancy: 13.1 % / R_merge(I) obs: 0.3819 / Net I/σ(I): 7.8
Reflection shell	Resolution: 3.198→3.312 Å / Mean I/σ(I) obs: 0.99 / R_sym value: 2.842 / % possible all: 98

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Processing

Software

Name	Version	Classification
PHENIX		refinement
PDB_EXTRACT	3.15	data extraction
XDS		data reduction
XDS		data scaling
Coot		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5BPD

5bpd

Resolution: 3.198→49.394 Å / SU ML: 0.56 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 33.25 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2988	2496	4.9 %
R_work	0.2546	48478	-
obs	0.2569	27264	99.66 %

Solvent computation

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

Displacement parameters

B_iso max: 194.01 Å² / B_iso mean: 87.2403 Å² / B_iso min: 36.99 Å²

Refinement step

Cycle: final / Resolution: 3.198→49.394 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8495	861	14	0	9370
B_iso mean	-	-	106.68	-	-
Num. residues	-	-	-	-	1081

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.005	9661
X-RAY DIFFRACTION	f_angle_d	0.518	13150
X-RAY DIFFRACTION	f_chiral_restr	0.026	1485
X-RAY DIFFRACTION	f_plane_restr	0.002	1518
X-RAY DIFFRACTION	f_dihedral_angle_d	14.814	3750

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Rms	Type
1	1	A	2460	X-RAY DIFFRACTION	12.281	TORSIONAL
1	2	B	2460	X-RAY DIFFRACTION	12.281	TORSIONAL
2	1	C	2351	X-RAY DIFFRACTION	12.281	TORSIONAL
2	2	D	2351	X-RAY DIFFRACTION	12.281	TORSIONAL

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 18

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
3.1981-3.2596	0.4358	129	0.3882	2627	2756	95
3.2596-3.3261	0.381	138	0.3895	2631	2769	100
3.3261-3.3985	0.4326	155	0.3721	2686	2841	100
3.3985-3.4775	0.4363	145	0.3482	2703	2848	100
3.4775-3.5644	0.3498	141	0.3288	2690	2831	100
3.5644-3.6608	0.338	127	0.3294	2782	2909	100
3.6608-3.7685	0.3572	131	0.3199	2648	2779	100
3.7685-3.89	0.3497	122	0.2903	2728	2850	100
3.89-4.029	0.2929	150	0.2872	2701	2851	100
4.029-4.1903	0.3209	163	0.258	2705	2868	100
4.1903-4.3809	0.2806	123	0.2474	2661	2784	100
4.3809-4.6117	0.3037	137	0.2249	2727	2864	100
4.6117-4.9004	0.2695	136	0.2173	2724	2860	100
4.9004-5.2783	0.2644	142	0.2165	2672	2814	100
5.2783-5.8088	0.2662	142	0.2427	2703	2845	100
5.8088-6.6476	0.2841	150	0.2524	2687	2837	100
6.6476-8.3686	0.2592	157	0.2053	2708	2865	100
8.3686-49.4003	0.202	108	0.1735	2695	2803	99

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	4.1408	-1.3357	1.6677	2.724	-0.4036	5.8577	-0.1504	0.3294	0.3141	-0.1011	0.0697	0.0532	-0.2178	-0.0868	0.0572	0.6811	-0.0429	-0.0767	0.7214	-0.0792	0.6704	-17.8024	-3.0174	12.0389
2	2.4047	0.7112	2.2723	5.7223	4.5949	4.6579	-0.0669	0.433	0.2392	0.3813	-0.0447	0.884	2.0251	0.2452	0.2194	1.0015	-0.0313	-0.0546	1.0566	0.0392	0.8428	-15.056	-23.5337	-13.0901
3	7.279	0.31	-5.7972	4.3976	-0.352	4.6146	1.156	-0.2076	0.1194	-2.1805	-1.3224	-0.4349	0.6291	2.3846	0.3411	1.3652	0.4504	-0.054	2.5713	-0.4454	1.1484	-16.904	-25.1977	-38.7104
4	8.077	-2.1686	-1.4694	2.8119	1.1935	6.165	0.2888	-1.8201	0.0729	0.0248	-0.0293	-1.3428	-1.0458	1.6135	-0.6216	0.9333	-0.0682	-0.1479	1.8486	0.0664	1.3271	-18.5856	-16.1016	-48.8882
5	6.4569	-1.0027	-1.3451	6.888	-1.3106	6.7752	0.7631	0.1473	0.3315	1.0854	0.2291	-0.696	-0.7239	0.0532	-0.7426	0.83	-0.0352	-0.0158	0.6063	0.2087	1.1205	-20.2181	-11.5084	-61.3068
6	2.8609	-2.5524	3.7877	3.2153	-3.3024	9.4985	-0.2649	-1.6556	0.7994	-0.968	0.2306	-2.0523	-0.7468	-1.6688	0.0897	1.022	-0.0506	0.1271	1.382	-0.1118	1.1118	-16.2015	-21.0176	-65.9342
7	5.2243	-2.4272	0.3692	7.5965	-2.7996	5.2088	0.7747	0.5811	0.1734	-1.2222	-1.3988	-0.6584	-0.0203	0.7274	0.7647	1.0382	0.0136	0.3084	1.1622	-0.1574	1.2344	-11.2711	-21.6279	-71.8918
8	2.7924	-0.7008	4.5734	5.6506	-1.3591	7.5663	0.9591	1.3076	1.6242	-0.5162	-0.495	-0.7601	-0.915	0.7981	-0.0084	1.3906	-0.0396	0.1961	2.4497	-0.4241	1.3723	-7.0765	-19.1024	-80.0796
9	8.1067	0.1496	0.2453	5.1676	-0.9063	4.9116	-0.2221	0.9205	-0.9704	-0.592	0.0708	0.2294	0.3995	0.1252	0.3342	0.8288	0.0201	0.022	0.8996	-0.0395	0.8934	-21.6618	-24.3449	-68.6279
10	2.324	2.3109	0.9957	3.8423	-1.7146	4.2785	-0.1624	0.0836	0.3643	0.0287	0.1869	-0.0222	0.0578	0.1669	0.0599	0.6876	0.1322	0.1025	0.8035	0.0782	0.6609	-40.8646	-4.1299	-44.1342
11	5.2503	-2.8302	5.237	1.432	-2.6212	4.9925	1.1067	0.4982	-0.3272	-0.3695	-0.3046	0.1465	1.8665	1.0659	-0.8791	0.9603	-0.0389	-0.071	0.8337	0.0645	0.7766	-43.2083	-23.7089	-17.9653
12	6.4034	7.4892	-0.3811	9.2518	0.4095	1.4813	0.2961	-0.8261	1.4862	1.1314	-3.0048	0.6184	1.3822	-0.2583	1.9848	1.8083	-0.5424	-0.2728	1.6242	0.2095	1.1203	-41.8427	-24.1081	7.5488
13	4.7362	1.1971	0.9154	3.2881	-0.8455	0.566	-1.1696	0.4081	1.8119	0.7029	-0.0554	1.7668	1.0343	-1.8817	-0.2327	1.7125	-0.1891	0.3566	2.4092	0.0131	1.021	-41.5251	-15.1384	15.7602
14	2.9043	2.4995	0.0637	5.6151	-2.681	2.8792	0.2814	0.8167	1.3814	-0.039	0.1738	1.0666	-0.2595	-0.8513	-0.2454	0.7291	0.088	0.115	0.9603	-0.094	0.7691	-37.705	-10.998	27.9016
15	9.0775	1.3147	1.4807	3.0775	1.5324	7.212	-0.3302	0.0645	1.0274	1.1464	-0.3097	1.563	-0.5971	-0.0017	-0.1432	0.7984	0.1075	-0.1309	1.1296	0.2363	1.1028	-42.3823	-19.595	34.0822
16	4.9145	1.193	-3.2076	8.8251	-0.7725	2.3833	0.1524	0.0715	1.2438	1.8246	-0.3479	2.3117	0.4052	0.24	-0.0252	0.9913	0.1449	0.2095	1.0851	-0.0209	1.0247	-47.0375	-20.2526	39.9483
17	4.4791	-0.186	-0.549	9.3563	6.0699	3.9778	-1.2239	-0.1923	-0.9665	0.9535	-1.1486	0.7314	0.3636	-0.2451	2.6415	1.165	0.2797	0.0946	1.466	0.2519	0.9303	-51.4768	-17.5624	48.1315
18	4.2106	-0.5495	0.8109	4.0574	0.812	2.2418	0.1042	-0.6219	-0.3764	0.7233	0.0869	0.5954	0.0506	0.0589	-0.1856	0.9113	0.1078	0.0195	0.9215	0.0739	0.6083	-36.7611	-22.9151	36.8732
19	7.5608	-2.3665	4.4275	5.8898	-1.2162	8.4394	-0.225	0.1235	0.4698	0.0115	0.0135	-0.5038	-0.0708	0.6312	0.0985	0.7633	-0.013	0.038	0.9171	0.0521	0.633	-20.3528	-11.719	-30.5562
20	7.0907	-3.447	0.7598	9.2905	6.9833	7.3067	0.6948	2.2663	0.7105	-2.1592	-0.4119	-1.4726	-2.4122	1.9954	-0.0391	1.2652	-0.2164	0.1851	2.4161	0.2873	1.3663	-12.4949	-6.5063	-41.8106
21	2.5741	-0.7535	2.0717	0.4552	2.4724	7.6082	-0.1225	0.5328	0.3057	-0.39	0.1988	-0.3631	-0.411	1.7546	0.2524	0.8439	-0.0935	-0.0151	1.1127	-0.0931	0.7981	-5.6458	-12.2859	-7.816
22	5.2801	-0.4168	-3.0238	5.0387	-3.5824	4.6273	-0.0018	0.2407	0.4047	0.6457	0.5363	-1.4948	-0.9961	1.1294	-0.6712	0.7362	-0.1272	-0.2329	0.7882	-0.1396	0.7474	-18.721	-12.4691	21.6782
23	2.2081	0.2326	-1.556	4.4343	-1.1561	1.3013	0.0525	-0.2563	-0.9888	0.878	0.7219	-1.1289	1.034	0.8272	-0.6273	0.5965	0.2812	-0.2284	0.7259	-0.1456	0.8939	-13.456	-19.2842	18.6195
24	8.6562	1.7753	-0.8986	9.0582	1.6204	5.3613	-0.4278	0.2949	-0.4581	-0.3255	0.2674	-1.0753	-0.1055	0.6782	0.2457	0.9488	0.2191	-0.0861	0.8541	-0.07	0.88	-8.7211	-32.565	20.1521
25	4.4461	3.1984	0.9618	3.1873	-1.7164	8.0165	-0.4029	2.2233	-1.1727	-0.7293	1.5281	-0.8191	-0.0195	-0.6774	-0.9008	0.9818	0.255	-0.1748	1.1389	-0.1268	0.8592	-21.8013	-32.2123	21.4418
26	3.5321	-1.4063	-3.8242	7.6435	-1.9385	5.8165	0.2316	-2.1775	0.3906	-0.6416	0.0826	-0.3865	1.1076	0.2841	-0.482	0.6912	0.0574	-0.114	1.1301	0.0367	0.4206	-21.4445	-23.0614	24.4178
27	5.0382	-0.3957	0.4531	4.9673	-3.4837	4.7801	-0.3528	-0.0631	-0.8011	-0.7134	0.3012	-0.2125	0.8291	-0.3956	0.0449	0.8325	-0.0194	-0.017	0.7347	-0.1263	0.6627	-23.4324	-28.1637	22.9482
28	3.9271	2.9665	1.676	4.5911	2.0296	6.8744	-0.303	-0.1712	0.2575	0.3861	0.1172	-0.4603	-0.0214	-0.678	0.1542	0.6954	0.2345	-0.1864	0.8876	-0.0242	0.6327	-36.3708	-13.9623	-2.4383
29	4.309	1.648	3.4755	4.1031	-0.8735	9.6539	-0.2988	-1.3545	2.0238	-0.876	-0.4432	-1.3542	0.8509	0.1216	0.2358	1.0973	0.206	0.0595	0.5991	-0.0224	1.0285	-35.7834	-3.4454	0.9837
30	1.118	1.0347	-0.2363	4.7826	1.35	0.9437	0.4227	0.1464	0.763	0.895	-1.0606	1.4409	-0.3604	-1.6587	0.4862	0.8297	-0.1038	-0.0497	1.3695	0.0555	0.6929	-46.5396	-8.8934	-3.2665
31	7.11	1.5832	1.8606	5.2806	4.5131	9.0342	-0.3508	-1.4887	-0.5299	1.7862	-2.9835	2.2841	0.4201	-2.0484	2.1679	2.3104	0.146	-0.023	1.9474	-0.2577	1.257	-49.6904	-5.8601	10.4344
32	1.1733	-0.255	0.9003	-0.0696	-0.1439	6.8227	-0.0789	-0.1923	0.2766	0.1476	0.0756	-0.0296	-0.1527	-1.116	-0.0507	0.8307	-0.0153	0.0067	0.9762	0.068	0.7998	-52.3741	-12.4418	-21.6451
33	5.3348	-1.7566	-0.4985	6.2546	4.6796	3.606	-0.6136	-0.0854	-0.0304	0.1147	0.3834	0.0245	0.3599	-0.1045	-0.1442	0.7779	-0.106	0.1768	0.8001	0.0932	0.6417	-38.4195	-15.6105	-51.9531
34	7.8346	2.1376	-0.6691	8.6024	3.7385	3.5258	-0.0288	-0.7979	-0.7443	0.6112	-0.4166	0.5458	0.8287	-0.7731	0.4176	1.0051	-0.1532	0.1094	0.9774	0.0636	0.8224	-49.3079	-32.3685	-51.8403
35	6.7516	-0.8729	0.6532	2.0616	1.1911	2.2844	0.8994	0.2054	-2.0489	-0.0527	-0.1283	0.3186	1.7047	-0.1264	-0.7498	1.0778	-0.1643	-0.2058	1.0179	0.1637	1.2204	-37.9433	-32.0869	-55.0652
36	8.3327	3.861	0.8546	8.2556	2.4527	4.7668	0.2399	-0.0392	-0.907	0.2835	0.3045	-0.7195	0.9308	-0.4652	-0.5018	0.757	0.1248	-0.0381	0.7688	0.1561	0.675	-34.4173	-28.0865	-54.5674
37	6.6264	0.8982	1.01	1.9537	2.0527	3.4844	0.0816	-1.7972	-0.4873	1.8073	0.067	-2.5476	0.6813	-0.1653	1.8953	0.801	0.0702	0.1022	1.3179	0.0445	1.0804	-23.0203	3.9699	-42.7677
38	4.4094	-3.1684	3.968	3.4176	-0.885	7.1911	-0.695	-1.6049	0.8761	-1.1067	1.1919	0.9425	-3.308	-0.2046	-0.4482	2.2327	0.0102	-0.086	1.3184	0.0958	1.2671	-32.6798	5.5265	-22.1873
39	6.096	-3.0616	2.8262	9.5282	-0.9319	8.2407	-0.4168	-1.5506	0.2411	0.8332	1.2799	0.7845	-2.4391	-1.9884	-0.7602	1.5427	-0.0227	-0.1862	1.3846	0.0483	0.9468	-27.0548	-0.4033	-6.039
40	4.124	4.4042	-0.2027	8.5233	-6.6849	1.9833	-0.7957	0.6901	-1.2961	-1.5755	-0.8962	-1.7855	0.4694	1.5175	0.9889	1.3164	0.2205	-0.4717	0.3897	0.0054	1.2363	-34.8179	11.1163	7.7989
41	1.9874	-4.2591	3.9336	6.131	-0.1612	1.7214	-0.5539	3.3893	-1.7635	-2.042	1.2117	1.9014	-1.3307	4.8815	0.8028	1.2914	-0.379	0.1317	1.5496	-0.0743	1.349	-35.6713	5.1108	10.2929
42	6.1405	0.4297	2.3108	2.2241	1.4417	1.605	-0.4743	1.3642	0.4671	-0.1992	0.6203	-1.2741	-1.0202	0.1676	-0.2007	1.466	0.0327	-0.0185	1.4967	0.0105	1.302	-26.0183	6.0632	-10.2983
43	7.786	1.8328	-2.8236	5.5305	-3.4265	2.5026	-0.0839	-0.5419	0.2987	-0.9656	1.0126	-0.2685	-2.0797	0.0817	-1.1861	1.5421	0.1567	-0.1109	1.3004	-0.1222	1.065	-31.7449	0.5332	-27.7734
44	3.28	3.584	0.838	8.798	-0.1337	2.0083	0.7526	-0.7434	0.3375	2.892	-0.9164	0.0649	-0.6257	-1.3366	-3.1378	0.6992	-0.2208	0.0543	-0.044	0.3379	1.2101	-21.9673	10.4304	-41.3684

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	(chain A and resid 2:85)	A	2 - 85
2	X-RAY DIFFRACTION	2	(chain A and resid 86:111)	A	86 - 111
3	X-RAY DIFFRACTION	3	(chain A and resid 112:117)	A	112 - 117
4	X-RAY DIFFRACTION	4	(chain A and resid 118:125)	A	118 - 125
5	X-RAY DIFFRACTION	5	(chain A and resid 126:143)	A	126 - 143
6	X-RAY DIFFRACTION	6	(chain A and resid 144:160)	A	144 - 160
7	X-RAY DIFFRACTION	7	(chain A and resid 161:187)	A	161 - 187
8	X-RAY DIFFRACTION	8	(chain A and resid 188:193)	A	188 - 193
9	X-RAY DIFFRACTION	9	(chain A and resid 194:264)	A	194 - 264
10	X-RAY DIFFRACTION	10	(chain B and resid 2:85)	B	2 - 85
11	X-RAY DIFFRACTION	11	(chain B and resid 86:112)	B	86 - 112
12	X-RAY DIFFRACTION	12	(chain B and resid 113:117)	B	113 - 117
13	X-RAY DIFFRACTION	13	(chain B and resid 118:123)	B	118 - 123
14	X-RAY DIFFRACTION	14	(chain B and resid 124:143)	B	124 - 143
15	X-RAY DIFFRACTION	15	(chain B and resid 144:160)	B	144 - 160
16	X-RAY DIFFRACTION	16	(chain B and resid 161:187)	B	161 - 187
17	X-RAY DIFFRACTION	17	(chain B and resid 188:193)	B	188 - 193
18	X-RAY DIFFRACTION	18	(chain B and resid 194:264)	B	194 - 264
19	X-RAY DIFFRACTION	19	(chain C and resid 3:66)	C	3 - 66
20	X-RAY DIFFRACTION	20	(chain C and resid 67:72)	C	67 - 72
21	X-RAY DIFFRACTION	21	(chain C and resid 73:114)	C	73 - 114
22	X-RAY DIFFRACTION	22	(chain C and resid 115:133)	C	115 - 133
23	X-RAY DIFFRACTION	23	(chain C and resid 134:143)	C	134 - 143
24	X-RAY DIFFRACTION	24	(chain C and resid 144:207)	C	144 - 207
25	X-RAY DIFFRACTION	25	(chain C and resid 208:217)	C	208 - 217
26	X-RAY DIFFRACTION	26	(chain C and resid 218:226)	C	218 - 226
27	X-RAY DIFFRACTION	27	(chain C and resid 227:264)	C	227 - 264
28	X-RAY DIFFRACTION	28	(chain D and resid 4:42)	D	4 - 42
29	X-RAY DIFFRACTION	29	(chain D and resid 43:54)	D	43 - 54
30	X-RAY DIFFRACTION	30	(chain D and resid 55:63)	D	55 - 63
31	X-RAY DIFFRACTION	31	(chain D and resid 64:69)	D	64 - 69
32	X-RAY DIFFRACTION	32	(chain D and resid 70:114)	D	70 - 114
33	X-RAY DIFFRACTION	33	(chain D and resid 115:134)	D	115 - 134
34	X-RAY DIFFRACTION	34	(chain D and resid 135:207)	D	135 - 207
35	X-RAY DIFFRACTION	35	(chain D and resid 208:219)	D	208 - 219
36	X-RAY DIFFRACTION	36	(chain D and resid 220:262)	D	220 - 262
37	X-RAY DIFFRACTION	37	(chain E and resid 1:6)	E	1 - 6
38	X-RAY DIFFRACTION	38	(chain E and resid 7:11)	E	7 - 11
39	X-RAY DIFFRACTION	39	(chain E and resid 12:16)	E	12 - 16
40	X-RAY DIFFRACTION	40	(chain E and resid 17:21)	E	17 - 21
41	X-RAY DIFFRACTION	41	(chain F and resid 1:6)	F	1 - 6
42	X-RAY DIFFRACTION	42	(chain F and resid 7:11)	F	7 - 11
43	X-RAY DIFFRACTION	43	(chain F and resid 12:17)	F	12 - 17
44	X-RAY DIFFRACTION	44	(chain F and resid 18:21)	F	18 - 21

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