PDB-5mfo: Designed armadillo repeat protein YIIIM3AIII

ID or keywords:

Entry

Database: PDB / ID: 5mfo

Title

Designed armadillo repeat protein YIIIM3AIII

Components

YIIIM3AIII

Keywords

DE NOVO PROTEIN / Designed armadillo repeat protein / peptide binding

Function / homology

Leucine-rich Repeat Variant / Leucine-rich Repeat Variant / Alpha Horseshoe / Mainly Alpha

Function and homology information

Biological species

synthetic construct (others)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.3 Å

Authors

Hansen, S. / Ernst, P. / Reichen, C. / Ewald, C. / Mittl, P. / Plueckthun, A.

Citation

Journal: J. Struct. Biol. / Year: 2018
Title: Curvature of designed armadillo repeat proteins allows modular peptide binding.
Authors: Hansen, S. / Ernst, P. / Konig, S.L.B. / Reichen, C. / Ewald, C. / Nettels, D. / Mittl, P.R.E. / Schuler, B. / Pluckthun, A.

History

Deposition	Nov 18, 2016	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Sep 13, 2017	Provider: repository / Type: Initial release
Revision 1.1	Feb 21, 2018	Group: Database references / Category: citation Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.year
Revision 1.2	May 8, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / 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.ptnr1_symmetry / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_symmetry / _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.ptnr3_symmetry / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_ptnr1_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.ptnr1_symmetry / _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_conn.ptnr2_symmetry

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5mfo.cif.gz	722.4 KB	Display	PDBx/mmCIF format
PDB format	pdb5mfo.ent.gz	613.8 KB	Display	PDB format
PDBx/mmJSON format	5mfo.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	5mfo_validation.pdf.gz	465.1 KB	Display	wwPDB validaton report
Full document	5mfo_full_validation.pdf.gz	471.5 KB	Display
Data in XML	5mfo_validation.xml.gz	56 KB	Display
Data in CIF	5mfo_validation.cif.gz	86.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/mf/5mfo ftp://data.pdbj.org/pub/pdb/validation_reports/mf/5mfo	HTTPS FTP

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Related structure data

Related structure data	5mfbC 5mfeC 5mffC 5mfgC 5mfhC 5mfiC 5mfjC 5mfkC 5mflC 5mfmC 5mfnC C: citing same article (ref.)
Similar structure data	4db9-1 5fyx-d 3kfs-d 3s85-4 1ivp-d 2b0c-d 2bb9-d 5ivr-d 2q5c-2 1gno-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) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

Related structure data

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	#70 - Oct 2005 Designer Proteins similarity (1)

Deposited unit

A: YIIIM3AIII

B: YIIIM3AIII

C: YIIIM3AIII

D: YIIIM3AIII

E: YIIIM3AIII

F: YIIIM3AIII

hetero molecules

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

1

A: YIIIM3AIII

hetero molecules

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

2

B: YIIIM3AIII

hetero molecules

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

3

C: YIIIM3AIII

hetero molecules

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

4

D: YIIIM3AIII

hetero molecules

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

5

E: YIIIM3AIII

hetero molecules

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

6

F: YIIIM3AIII

hetero molecules

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

Unit cell

Length a, b, c (Å)	83.920, 83.920, 166.150
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	78
Space group name H-M	P4₃

#1: Protein	YIIIM3AIII Mass: 21218.547 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) / Production host: Escherichia coli K-12 (bacteria)
#2: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 19 / Source method: obtained synthetically / Formula: Ca
#3: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₂H₆O₂
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1305 / Source method: isolated from a natural source / Formula: H₂O

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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: 46.47 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: 0.2 M Ca-Acetate, 0.1 M Na-Acetate pH 5.5, 25 % PEG 2K MME

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1 Å
Detector	Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: May 14, 2012
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.3→48.287 Å / Num. obs: 278605 / % possible obs: 99.3 % / Redundancy: 11.2 % / CC_1/2: 1 / R_merge(I) obs: 0.056 / Net I/σ(I): 19.48
Reflection shell	Resolution: 1.3→1.33 Å / Redundancy: 11.1 % / R_merge(I) obs: 1.695 / Mean I/σ(I) obs: 1.44 / CC_1/2: 0.475 / % possible all: 98.1

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Processing

Software

Name	Version	Classification
PHENIX	(1.10_2155: ???)	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.3→48.287 Å / SU ML: 0.14 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 19.18

	R_factor	Num. reflection	% reflection
R_free	0.1781	13861	4.98 %
R_work	0.1586	-	-
obs	0.1596	278547	99.29 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Refinement step

Cycle: LAST / Resolution: 1.3→48.287 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8822	0	23	1305	10150

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	9893
X-RAY DIFFRACTION	f_angle_d	0.898	13606
X-RAY DIFFRACTION	f_dihedral_angle_d	21.504	3787
X-RAY DIFFRACTION	f_chiral_restr	0.063	1556
X-RAY DIFFRACTION	f_plane_restr	0.006	1902

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 (%)
1.3-1.3148	0.3317	521	0.3064	8618	X-RAY DIFFRACTION	98
1.3148-1.3302	0.2806	457	0.2934	8743	X-RAY DIFFRACTION	98
1.3302-1.3465	0.3071	430	0.2847	8715	X-RAY DIFFRACTION	98
1.3465-1.3635	0.2969	420	0.2814	8774	X-RAY DIFFRACTION	98
1.3635-1.3814	0.2684	431	0.2641	8758	X-RAY DIFFRACTION	98
1.3814-1.4004	0.2717	439	0.256	8836	X-RAY DIFFRACTION	99
1.4004-1.4204	0.2796	408	0.2533	8775	X-RAY DIFFRACTION	99
1.4204-1.4416	0.2533	459	0.2425	8759	X-RAY DIFFRACTION	99
1.4416-1.4641	0.2364	470	0.2269	8740	X-RAY DIFFRACTION	99
1.4641-1.4881	0.2314	450	0.2087	8767	X-RAY DIFFRACTION	99
1.4881-1.5138	0.2174	512	0.1949	8777	X-RAY DIFFRACTION	99
1.5138-1.5413	0.2176	487	0.186	8761	X-RAY DIFFRACTION	99
1.5413-1.571	0.2185	466	0.1791	8757	X-RAY DIFFRACTION	99
1.571-1.603	0.1915	403	0.1751	8903	X-RAY DIFFRACTION	99
1.603-1.6379	0.1931	446	0.1719	8823	X-RAY DIFFRACTION	99
1.6379-1.676	0.216	459	0.1753	8880	X-RAY DIFFRACTION	99
1.676-1.7179	0.2132	466	0.1739	8781	X-RAY DIFFRACTION	100
1.7179-1.7643	0.1961	473	0.1704	8827	X-RAY DIFFRACTION	100
1.7643-1.8163	0.188	518	0.1595	8811	X-RAY DIFFRACTION	100
1.8163-1.8749	0.1709	505	0.1606	8835	X-RAY DIFFRACTION	100
1.8749-1.9419	0.199	459	0.1615	8873	X-RAY DIFFRACTION	100
1.9419-2.0197	0.1801	448	0.1541	8902	X-RAY DIFFRACTION	100
2.0197-2.1116	0.1725	499	0.1505	8842	X-RAY DIFFRACTION	100
2.1116-2.2229	0.1725	474	0.1431	8854	X-RAY DIFFRACTION	100
2.2229-2.3622	0.1664	515	0.1394	8846	X-RAY DIFFRACTION	100
2.3622-2.5445	0.1478	475	0.1355	8926	X-RAY DIFFRACTION	100
2.5445-2.8006	0.1612	464	0.1405	8889	X-RAY DIFFRACTION	100
2.8006-3.2058	0.1762	413	0.1501	8978	X-RAY DIFFRACTION	100
3.2058-4.0386	0.1446	420	0.1432	8947	X-RAY DIFFRACTION	100
4.0386-48.3203	0.1635	474	0.1457	8989	X-RAY DIFFRACTION	100

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	5.1285	4.3648	-4.2551	4.174	-2.5984	6.0209	-0.2369	-0.0167	-0.7259	0.0288	0.2336	-0.4603	0.8039	0.2078	0.0474	0.4169	0.0155	-0.0394	0.2281	-0.0521	0.3004	34.1062	-37.7767	40.7157
2	3.2651	4.1583	4.7078	7.0571	4.9415	7.4149	0.7225	0.3571	-0.5242	0.8725	0.0467	-0.7549	1.1618	0.6957	-0.5522	0.5871	0.1479	-0.0289	0.2961	-0.0911	0.2872	35.2329	-41.5084	33.2553
3	3.8884	-1.313	-0.2725	2.4496	1.322	4.841	0.0099	0.1417	-0.0251	0.2251	0.1326	-0.1819	0.2953	0.0538	-0.1302	0.1961	-0.0059	-0.016	0.1238	-0.0599	0.1325	27.4687	-34.8651	32.3677
4	3.975	-0.3922	0.6804	3.2773	0.7604	4.2043	0.0342	0.1809	0.1161	-0.1508	-0.0198	-0.1787	-0.2361	0.046	-0.0073	0.1551	-0.013	0.0113	0.1083	-0.0242	0.1486	26.5942	-32.3023	20.8708
5	2.3023	-1.4097	-2.1478	5.5353	1.3235	6.4389	0.0677	0.1459	0.2523	-0.8109	0.1492	-0.7048	-0.6104	0.2657	-0.2118	0.3259	-0.0748	0.0603	0.2119	0.0499	0.2632	28.3942	-28.5629	6.6652
6	7.7577	-1.5098	-0.0695	5.0954	-0.9458	4.4789	0.0362	0.2711	0.02	-0.4027	-0.1369	0.3654	-0.4962	-0.4604	0.0788	0.2902	0.0212	-0.0513	0.2297	-0.0354	0.1319	19.1659	-31.5293	8.7076
7	2.8756	-4.1413	-2.6668	7.803	4.2528	2.5654	0.3965	0.6074	0.0928	-0.9689	-0.4534	-0.2001	-0.9554	-0.4705	0.1132	0.5103	0.0951	0.0337	0.3646	0.0672	0.211	22.6305	-33.2962	-3.0765
8	2.5693	1.4169	-1.8404	2.2669	0.9088	4.8258	0.0848	0.5862	-0.021	-0.369	-0.5471	0.7229	-0.5615	-0.9749	0.502	0.3137	0.1005	-0.0395	0.4158	-0.0631	0.2853	16.6919	-37.6591	1.1662
9	4.1424	1.7653	-0.4518	4.0663	0.976	0.6393	0.1384	-0.6479	0.1799	0.2071	-0.1131	-0.0348	0.0295	0.1188	-0.0337	0.1562	-0.0364	0.0116	0.3193	-0.0601	0.1927	7.0559	-45.2388	20.8327
10	2.8066	-0.0359	-0.5265	0.5393	0.105	0.9155	0.1579	-0.1424	0.2817	-0.0122	-0.0166	0.0071	-0.0981	0.0381	-0.1355	0.1354	-0.0018	0.0258	0.1327	0.0021	0.1773	-11.7228	-45.6391	13.405
11	6.2012	-0.3985	3.8839	3.6322	-1.4382	2.8277	0.232	0.3252	0.9199	0.072	0.114	0.4388	-0.6434	-0.594	-0.1056	0.1721	0.0941	0.0799	0.3076	0.1395	0.3823	-30.9217	-40.1702	11.0115
12	1.8128	-0.0354	-0.5342	2.0173	0.4706	0.2829	0.232	1.0027	-0.4691	-0.5804	-0.1945	0.5969	-0.198	-0.2811	-0.019	0.1967	0.12	-0.1075	0.5123	-0.0901	0.3468	-28.8385	-55.7747	-0.1117
13	6.417	-2.4336	-3.6899	6.8722	4.5133	7.7814	-0.1707	0.7888	-1.4633	0.357	-0.087	0.6377	0.2967	-0.7688	0.1738	0.1844	-0.0079	0.0244	0.433	-0.0807	0.5051	-30.0583	-56.9044	7.8965
14	6.1641	-4.6742	3.2103	3.7293	-1.5572	5.9731	-0.2176	0.0993	0.7848	-0.1724	0.2425	-0.6346	-0.7147	0.2251	0.0646	0.4177	-0.0315	0.0386	0.2211	-0.0523	0.3052	-7.7722	-4.154	-11.9142
15	2.5921	-3.8548	-3.959	7.0452	4.7621	7.0187	0.7694	-0.3149	0.5115	-0.8663	0.0089	-0.7141	-1.076	0.5245	-0.5841	0.5467	-0.1177	0.0198	0.2615	-0.0908	0.3076	-6.35	-0.658	-4.5986
16	5.3234	0.3625	1.0937	2.2017	0.9147	5.5177	0.0223	-0.1985	-0.0389	-0.1468	0.1333	-0.2246	-0.201	0.0543	-0.1684	0.1866	0.0021	0.0127	0.1178	-0.061	0.1528	-14.1689	-7.5731	-3.3667
17	1.2042	-0.3153	-0.4689	2.3635	0.7446	4.1741	-0.0074	-0.1687	-0.1283	0.246	0.0332	-0.1777	0.2497	0.075	-0.0206	0.1724	0.0116	-0.0259	0.1404	-0.0117	0.1885	-15.4428	-9.5356	11.8769
18	6.0859	-6.5632	5.0302	8.4745	-6.5271	5.2638	0.1508	-0.1735	-1.2761	0.4234	0.0396	1.0474	1.0527	-1.0023	-0.2464	0.4968	-0.2082	0.0812	0.4338	-0.0168	0.3596	-29.575	-17.542	20.6057
19	1.8137	3.1464	2.9845	6.6537	5.3077	4.9256	0.4613	-0.4228	-0.1604	1.216	-0.4468	-0.1768	1.1339	-0.4208	0.0414	0.4755	-0.1012	-0.0347	0.3389	0.0559	0.2383	-19.3227	-8.6655	31.8964
20	3.2059	2.0426	3.4895	8.7004	1.9425	3.8147	0.1461	-0.5993	-0.0206	0.4885	-0.6092	0.9444	0.6327	-0.9391	0.473	0.3116	-0.0904	0.0499	0.4216	-0.0803	0.3175	-25.4546	-4.3711	27.644
21	5.9887	-5.3504	5.6971	5.657	-6.4872	8.0591	0.141	-0.1371	-0.1699	-0.1589	-0.064	0.3142	0.0906	-0.0301	-0.184	0.2111	0.0017	-0.0386	0.1968	-0.0701	0.2434	-11.7566	-74.4538	2.1876
22	9.3741	-5.6087	4.3097	7.5571	-3.6101	4.8712	-0.0299	-0.2179	-0.0858	-0.0009	0.0842	0.1777	0.0223	-0.0263	-0.0389	0.1152	-0.0008	-0.0038	0.1276	-0.0249	0.1223	-8.5445	-67.5368	7.3855
23	2.9129	-2.0914	0.311	3.0283	-0.0994	0.5007	0.0261	-0.0291	-0.0599	-0.0582	-0.0007	-0.0275	0.0661	0.0297	-0.0196	0.1274	-0.001	-0.0157	0.1747	-0.0154	0.135	1.6102	-70.2922	3.9141
24	0.5806	-1.1979	-0.8392	2.4827	1.751	1.2522	0.116	0.0671	0.1111	-0.4204	0.0086	-0.0613	-0.1489	-0.0152	-0.1034	0.1613	0.0126	0.001	0.2229	-0.0005	0.1408	8.4638	-60.3446	-3.3513
25	2.6097	-3.1732	0.0097	4.23	-0.1109	0.6615	-0.0289	0.0076	-0.0071	0.0098	0.0244	0.0137	0.0125	0.0247	0.0209	0.1137	-0.026	-0.0111	0.1764	-0.0141	0.152	12.7008	-65.3487	4.3042
26	0.1519	-1.1109	-0.9047	9.5156	7.5142	6.0078	-0.0091	-0.0887	0.0435	-0.2779	0.0751	0.0276	-0.2603	0.189	-0.0538	0.1388	0.0004	0.0298	0.2127	-0.0049	0.1493	18.7149	-54.4104	0.3827
27	2.7677	-2.9582	-1.4745	3.2848	1.7976	1.5237	-0.0269	-0.2772	-0.0559	0.0959	0.1079	-0.0851	0.0734	0.1492	-0.0924	0.1235	-0.0201	0.0005	0.2115	-0.0163	0.1597	17.6656	-58.5669	9.3772
28	8.9132	2.4743	-3.0107	2.8565	1.0509	2.828	0.0486	-0.2089	-0.3488	-0.3503	-0.1437	-0.2846	0.3311	0.3545	0.16	0.1623	0.0269	0.0109	0.2242	-0.0024	0.1402	28.5758	-68.0654	0.6854
29	2.6253	-2.3891	-2.37	6.8685	1.7596	2.1664	0.0826	-0.1114	0.2804	-0.0087	0.1854	-0.5488	-0.076	0.2866	-0.4251	0.0949	-0.0383	0.0195	0.2279	-0.0429	0.1766	27.5535	-51.2258	7.6094
30	6.5235	-3.4718	-0.629	7.7641	4.7484	6.6363	-0.1598	-0.5212	-0.1474	0.3314	0.3114	-0.0195	0.4843	0.6246	-0.1274	0.2168	0.0167	-0.0065	0.3424	0.0044	0.1318	26.1429	-57.1376	13.8611
31	2.9215	1.6669	-1.284	5.7216	1.2813	1.9373	-0.0777	0.1326	0.0327	-0.6974	0.0694	-0.1943	-0.2131	-0.0557	-0.0085	0.2987	-0.028	0.0606	0.1535	-0.0109	0.1995	-3.3452	-35.1058	-33.3292
32	0.5588	0.0098	-0.1168	2.5894	0.6804	0.9705	-0.0238	-0.0056	-0.0024	-0.1389	0.167	-0.2708	-0.033	0.0977	-0.1347	0.1317	-0.0019	-0.0038	0.1309	-0.0242	0.1756	-3.7852	-53.5159	-26.0551
33	4.0899	-1.6749	1.887	5.2867	-3.9387	5.5242	0.0861	0.0367	-0.395	0.3571	0.1236	-0.8847	0.3687	0.4692	-0.0683	0.2797	0.0881	-0.128	0.148	-0.0756	0.3529	1.2611	-72.6997	-24.0936
34	3.6657	-0.137	0.0169	1.3157	1.2264	1.1539	0.0978	-0.4762	-0.535	1.0562	0.1804	0.4354	0.3522	0.0992	0.0347	0.5402	0.1106	0.1009	0.2163	0.1206	0.3713	-13.7897	-70.7951	-12.5844
35	1.7128	-1.9555	-3.0684	6.7391	1.9579	7.5202	-0.0046	0.2383	-0.762	0.7516	-0.0855	1.4548	0.8093	-0.3372	0.0159	0.4356	-0.0086	0.073	0.2059	-0.0261	0.518	-15.0253	-71.9261	-20.654
36	5.5033	-5.0884	5.8631	5.1145	-5.1272	6.7629	-0.2032	-0.1732	-0.2436	-0.0314	0.1638	0.0971	0.0269	-0.1122	-0.0574	0.1974	0.0037	0.0633	0.2083	0.0422	0.241	-31.9617	-53.7281	-14.1821
37	8.9575	-6.6144	6.4705	5.0223	-5.2556	6.4636	-0.0149	0.0975	-0.0421	-0.0251	-0.0753	-0.0609	-0.0976	0.0532	0.027	0.1713	0.001	0.0177	0.1451	0.007	0.155	-25.8774	-49.9552	-20.3522
38	0.7723	-0.4058	-0.0417	1.1121	0.0636	0.2206	-0.0169	-0.0567	0.0075	0.0378	0.0431	0.0544	-0.0426	-0.0193	-0.0266	0.1954	0.0033	0.0123	0.1503	0.0093	0.1473	-25.4154	-35.8031	-15.6074
39	7.761	-1.1267	-6.6217	0.1794	1.019	5.8325	0.0855	-0.3256	0.0378	-0.0596	0.0115	-0.0677	-0.1555	0.2841	-0.088	0.2127	-0.003	0.01	0.1441	-0.0309	0.1539	-12.2987	-23.1916	-12.8404
40	6.4828	-4.0602	-1.8654	2.9885	1.2171	1.4435	0.1052	0.075	0.0702	-0.2614	-0.0178	-0.0057	-0.112	-0.0473	-0.0956	0.2045	-0.023	0.019	0.1104	-0.0048	0.1341	-16.5918	-24.4027	-22.0368
41	4.0052	2.0425	4.8809	6.3067	2.7992	5.9702	-0.1539	-0.4808	0.2036	-0.1758	0.002	0.2919	-0.4058	-0.4549	0.1861	0.2234	0.0316	0.0069	0.1866	-0.0141	0.1577	-26.597	-13.5198	-13.1862
42	6.4881	-1.2156	1.4564	2.7062	1.2187	1.2228	0.0859	-0.0311	0.5283	-0.1762	0.1412	-0.3231	-0.3071	0.0986	-0.289	0.2313	-0.0465	0.0401	0.0719	-0.0118	0.1762	-9.1386	-14.5063	-20.3085
43	4.3209	-3.3293	-5.33	6.6542	2.1129	7.8392	0.3252	0.415	0.0256	-0.5525	-0.2201	0.2637	-0.8209	-0.5233	-0.144	0.3466	0.0278	-0.0049	0.2325	0.0036	0.1662	-15.6485	-15.4775	-26.4086

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 10 through 24 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 25 through 40 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 41 through 66 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 67 through 135 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 136 through 150 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 151 through 177 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 178 through 192 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 193 through 208 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 11 through 40 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 41 through 166 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 167 through 177 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 178 through 192 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 193 through 208 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 10 through 24 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 25 through 40 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 41 through 66 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 67 through 166 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 167 through 177 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 178 through 192 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 193 through 208 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 8 through 24 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 25 through 40 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 41 through 93 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 94 through 108 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 109 through 135 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 136 through 150 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 151 through 166 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 167 through 177 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 178 through 192 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 193 through 207 )
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 12 through 40 )
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 41 through 165 )
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 166 through 177 )
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 178 through 192 )
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 193 through 209 )
36	X-RAY DIFFRACTION	36	chain 'F' and (resid 8 through 24 )
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 25 through 40 )
38	X-RAY DIFFRACTION	38	chain 'F' and (resid 41 through 135 )
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 136 through 150 )
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 151 through 166 )
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 167 through 177 )
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 178 through 192 )
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 193 through 208 )

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