PDB-2cfh: Structure of the Bet3-TPC6B core of TRAPP

ID or keywords:

Entry

Database: PDB / ID: 2cfh

Title

Structure of the Bet3-TPC6B core of TRAPP

Components

TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 3
TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 6B

Keywords

TRANSPORT / PROTEIN TRANSPORT / TRAPP COMPLEX / BET3 / TPC6 / VESICLE TETHERING / ER-GOLGI TRANSPORT / ENDOPLASMIC RETICULUM

Function / homology

Function and homology information

vesicle coating / vesicle tethering / TRAPPII protein complex / TRAPPIII protein complex / TRAPP complex / cis-Golgi network membrane / COPII vesicle coating / intra-Golgi vesicle-mediated transport / RAB GEFs exchange GTP for GDP on RABs / cis-Golgi network ...
Similarity search - Function

Biological species

HOMO SAPIENS (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.3 Å

Authors

Kummel, D. / Muller, J.J. / Roske, Y. / Henke, N. / Heinemann, U.

Citation

Journal: J.Mol.Biol. / Year: 2006
Title: Structure of the Bet3-Tpc6B Core of Trapp: Two Tpc6 Paralogs Form Trimeric Complexes with Bet3 and Mum2.
Authors: Kummel, D. / Muller, J.J. / Roske, Y. / Henke, N. / Heinemann, U.

History

Deposition	Feb 21, 2006	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jul 12, 2006	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.2	Oct 26, 2011	Group: Atomic model / Derived calculations ...Atomic model / Derived calculations / Non-polymer description / Other / Refinement description / Structure summary
Revision 1.3	Dec 13, 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_conn / struct_ncs_dom_lim / 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_conn.pdbx_leaving_atom_flag / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_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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Download

PDBx/mmCIF format	2cfh.cif.gz	138.8 KB	Display	PDBx/mmCIF format
PDB format	pdb2cfh.ent.gz	109.7 KB	Display	PDB format
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Validation report

Summary document	2cfh_validation.pdf.gz	774.5 KB	Display	wwPDB validaton report
Full document	2cfh_full_validation.pdf.gz	799.6 KB	Display
Data in XML	2cfh_validation.xml.gz	25.6 KB	Display
Data in CIF	2cfh_validation.cif.gz	34.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/cf/2cfh ftp://data.pdbj.org/pub/pdb/validation_reports/cf/2cfh	HTTPS FTP

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Related structure data

Related structure data	1sz7S 2bjnS 2c0j S: Starting model for refinement
Similar structure data	4dq5-d 3fmj-d 6aq3-2 2c0j-d 4rwr-2 6m5z-1 5r8y-d 4tvy-2 4nd6-d 6q7g-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	#133 - Jan 2011 Nitric Oxide Synthase similarity (1) #147 - Mar 2012 Rhodopsin similarity (1) #53 - May 2004 Serpins similarity (1) #205 - Jan 2017 Nuclear Pore Complex similarity (1) #100 - Apr 2008 Adrenergic Receptors similarity (1) #164 - Aug 2013 Serotonin Receptor similarity (1) #171 - Mar 2014 Neurotransmitter Transporters similarity (1) #27 - Mar 2002 Bacteriorhodopsin similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#133 - Jan 2011
Nitric Oxide Synthase
similarity (1)
#147 - Mar 2012
Rhodopsin
similarity (1)
#53 - May 2004
Serpins
similarity (1)
#205 - Jan 2017
Nuclear Pore Complex
similarity (1)
#100 - Apr 2008
Adrenergic Receptors
similarity (1)
#164 - Aug 2013
Serotonin Receptor
similarity (1)
#171 - Mar 2014
Neurotransmitter Transporters
similarity (1)
#27 - Mar 2002
Bacteriorhodopsin
similarity (1)

Deposited unit

A: TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 3

B: TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 3

C: TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 6B

D: TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 6B

hetero molecules

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

1

A: TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 3

C: TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 6B

hetero molecules

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

2

B: TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 3

D: TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 6B

hetero molecules

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

Unit cell

Length a, b, c (Å)	69.450, 69.590, 144.006
Angle α, β, γ (deg.)	90.00, 91.55, 90.00
Int Tables number	5
Space group name H-M	C121

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
1	2	C
2	2	D

NCS domain segments:

Refine code: 1

Dom-ID	Component-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	1	SER	SER	ILE	ILE	A	A	15 - 168	29 - 182
2	1	1	SER	SER	ILE	ILE	B	B	15 - 168	29 - 182
1	2	1	ARG	ARG	LEU	LEU	A	A	170 - 175	184 - 189
2	2	1	ARG	ARG	LEU	LEU	B	B	170 - 175	184 - 189
1	1	2	ALA	ALA	GLN	GLN	C	C	2 - 156	2 - 156
2	1	2	ALA	ALA	GLN	GLN	D	D	2 - 156	2 - 156

NCS ensembles :

ID
1
2

#1: Protein	TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 3 / BET3 HOMOLOG Mass: 21900.756 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Plasmid: PET-DUET / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: O43617
#2: Protein	TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 6B / TPC6B Mass: 18022.988 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Plasmid: PET-DUET / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q86SZ2
#3: Chemical	ChemComp-PLM / PALMITIC ACID Mass: 256.424 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₁₆H₃₂O₂
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 57 / 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: 2.2 Å³/Da / Density % sol: 44.4 %
Crystal grow	Details: 18-20% PEG 3500,0.2 M LI CITRATE

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Data collection

Diffraction	Mean temperature: 110 K
Diffraction source	Source: SYNCHROTRON / Site: BESSY / Beamline: 14.2 / Wavelength: 0.9537
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9537 Å / Relative weight: 1
Reflection	Resolution: 2.3→20 Å / Num. obs: 29365 / % possible obs: 95.6 % / Observed criterion σ(I): -3 / Redundancy: 3.46 % / R_merge(I) obs: 0.05 / Net I/σ(I): 13.76
Reflection shell	Resolution: 2.3→2.44 Å / Redundancy: 3.46 % / R_merge(I) obs: 0.34 / Mean I/σ(I) obs: 3.7 / % possible all: 90.1

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0005	refinement
XDS		data reduction
XSCALE		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRIES 2BJN, 1SZ7

2bjn

1sz7

Resolution: 2.3→20 Å / Cor.coef. F_o:F_c: 0.952 / Cor.coef. F_o:F_c free: 0.92 / SU B: 23.895 / SU ML: 0.263 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.397 / ESU R Free: 0.264 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.269	1513	5 %	RANDOM
R_work	0.221	-	-	-
obs	0.223	28749	100 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK

Displacement parameters

B_iso mean: 56.35 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	3.88 Å²	0 Å²	3.19 Å²
2-	-	-1.05 Å²	0 Å²
3-	-	-	-2.65 Å²

Refinement step

Cycle: LAST / Resolution: 2.3→20 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4958	0	34	57	5049

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.017	0.022	5068
X-RAY DIFFRACTION	r_bond_other_d	0.007	0.02	4709
X-RAY DIFFRACTION	r_angle_refined_deg	1.556	1.969	6812
X-RAY DIFFRACTION	r_angle_other_deg	1.411	3.003	10843
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	8.774	5	617
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.901	24.545	242
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	17.703	15	929
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	19.235	15	32
X-RAY DIFFRACTION	r_chiral_restr	0.086	0.2	769
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.02	5575
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	1029
X-RAY DIFFRACTION	r_nbd_refined	0.208	0.2	1168
X-RAY DIFFRACTION	r_nbd_other	0.186	0.2	5048
X-RAY DIFFRACTION	r_nbtor_refined	0.184	0.2	2504
X-RAY DIFFRACTION	r_nbtor_other	0.096	0.2	3149
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.17	0.2	132
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.136	0.2	27
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.218	0.2	94
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.27	0.2	9
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0.445	1.5	3964
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.602	2	4960
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	1.163	3	2264
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	1.672	4.5	1852
X-RAY DIFFRACTION	r_scangle_other
X-RAY DIFFRACTION	r_long_range_B_refined
X-RAY DIFFRACTION	r_long_range_B_other
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION

Ens-ID	Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	1	A	2496	tight positional	0.04	0.05
1	2	B	2496	tight positional	0.04	0.05
2	1	C	2302	tight positional	0.03	0.05
2	2	D	2302	tight positional	0.03	0.05
1	1	A	2496	tight thermal	0.08	0.5
1	2	B	2496	tight thermal	0.08	0.5
2	1	C	2302	tight thermal	0.09	0.5
2	2	D	2302	tight thermal	0.09	0.5

LS refinement shell

Resolution: 2.3→2.36 Å / Total num. of bins used: 20 /

	R_factor	Num. reflection
R_free	0.387	110
R_work	0.315	2095

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	10.9912	-13.2955	-14.6479	22.9255	11.1612	25.8059	-0.367	-1.0339	1.4898	0.2561	0.7787	-2.2263	0.3718	2.9593	-0.4116	0.0106	-0.0586	-0.0265	0.0136	-0.0845	-0.0503	16.2767	3.3419	12.8462
2	10.7137	-1.7663	-1.701	12.0086	2.0548	14.0519	-0.1805	0.5145	0.1158	-0.3152	0.0585	1.4966	0.1001	-1.1544	0.122	-0.233	-0.069	-0.0154	-0.1643	0.0105	-0.0716	-0.6405	4.9837	13.4884
3	17.6414	-3.2108	9.6605	6.8306	-4.369	11.8274	0.3392	-0.5018	-1.1179	-0.0687	0.0991	-0.2995	1.0622	0.3833	-0.4383	-0.0739	0.0024	-0.0377	-0.0643	-0.024	-0.0966	10.9476	-5.3836	26.7278
4	7.1097	-4.6295	-2.3375	10.3799	1.5161	8.5842	-0.54	-1.6091	-0.7406	1.4116	0.6758	-0.4966	1.7047	0.3986	-0.1358	0.4193	0.0563	-0.1405	0.5164	0.0994	0.2074	15.5656	0.3391	39.4177
5	13.0093	0.0315	-3.9939	30.5393	5.0746	24.1553	1.1657	-0.326	-0.1043	1.9074	-0.3985	-1.9771	0.5551	0.4185	-0.7671	-0.0612	-0.0296	-0.2105	0.0995	0.0803	-0.0471	19.0035	4.3576	34.8502
6	0.311	1.1443	0.8504	7.4775	-1.2624	8.2266	0.139	-0.2531	0.13	0.5089	-0.0973	-0.2914	-0.5279	0.4521	-0.0417	-0.1524	-0.1248	-0.1309	0.0623	-0.0469	-0.087	14.7105	10.5885	32.2023
7	6.2266	1.8332	-0.6141	6.1187	-2.9736	6.6321	0.0754	0.7835	0.9031	-0.4447	0.3253	0.5731	-1.064	0.0619	-0.4008	0.0803	-0.0662	0.019	-0.0506	0.0208	-0.0782	5.3765	14.2728	14.4382
8	2.2264	0.1993	-1.4599	5.716	0.5529	3.977	0.4146	-0.1301	0.0119	0.9503	-0.0274	0.3363	-0.4952	0.0171	-0.3872	-0.0253	-0.0954	-0.0068	-0.086	-0.0088	-0.1087	7.2758	7.6354	29.436
9	18.0514	-3.5699	4.2008	34.9434	-7.2909	14.1893	-0.1635	-1.0679	-1.7389	0.848	0.3499	0.798	1.012	-0.1031	-0.1864	0.2281	-0.0947	0.1655	0.1699	-0.0427	-0.0852	1.0014	-3.1486	41.8079
10	4.4813	5.5235	-0.2492	7.8113	-3.5377	10.4166	0.259	0.3602	0.7609	0.0046	0.3457	1.1869	-0.2771	-2.1323	-0.6046	-0.0737	0.1353	0.0007	0.0336	0.1606	-0.0371	-18.5246	6.1461	59.5528
11	3.8339	0.2667	-3.7021	12.7091	-0.3434	10.8344	0.1913	-0.2965	0.1076	0.6531	0.1581	-1.5292	-0.1061	0.8708	-0.3494	-0.2874	0.0692	-0.0627	-0.1889	0.0005	-0.0449	-1.7249	7.9457	57.6705
12	20.8404	4.1547	5.6295	6.5011	2.1282	12.3771	0.4575	0.3961	-0.5957	0.2621	-0.1632	0.5706	1.4765	-0.9034	-0.2943	-0.1914	-0.0304	-0.0784	-0.1128	-0.0228	-0.0711	-14.1162	-2.8737	45.53
13	7.9219	0.0111	-6.7773	13.1549	5.5191	11.0297	-0.2511	1.869	-0.8251	-1.6643	-0.5025	0.6948	1.7632	-1.2247	0.7537	0.2897	0.0748	-0.1451	0.5784	0.018	0.2917	-19.8197	2.2233	33.0642
14	29.1848	-2.165	-11.5266	6.045	-10.8737	27.9302	-0.1905	1.5169	1.0948	-0.755	0.9802	0.5928	0.1121	-2.2342	-0.7897	0.3129	0.1084	-0.1572	0.3272	-0.1511	0.1213	-22.5451	6.7869	37.4846
15	1.0482	-0.3088	1.9579	7.5349	2.2208	4.7083	0.1536	0.1481	0.0386	-0.8448	-0.2606	0.7024	-0.8071	-0.785	0.107	0.058	0.3031	-0.1083	0.1728	0.1153	0.0081	-18.5318	12.9217	39.6493
16	4.9132	-5.1298	0.836	7.1179	2.0535	8.8776	-0.1156	-0.7101	0.6561	0.6633	0.3348	-0.3931	-0.7288	0.1937	-0.2192	-0.0173	0.0903	0.0696	-0.1035	-0.0003	-0.0126	-8.3538	16.9274	56.6011
17	1.8054	-1.8432	-2.855	7.1848	2.5367	5.5662	0.4307	0.3218	0.1183	-1.0575	0.0575	-0.2931	-0.781	-0.5487	-0.4882	-0.0643	0.1192	-0.0058	-0.0787	0.0774	-0.1155	-10.8253	10.1241	42.2591
18	15.5057	2.5459	13.283	47.8343	-5.0083	12.469	1.0285	1.1567	-1.5371	-3.0773	-1.1185	-1.8496	1.2122	-0.5972	0.09	0.2995	0.0163	0.31	0.1896	0.0016	0.0213	-5.4013	-0.682	29.6575
19	11.0487	12.762	0.7058	31.6448	-9.967	6.9227	0.2571	-0.5473	0.007	1.0021	-0.5002	-1.3491	0.5008	0.9264	0.243	-0.0227	0.0964	-0.0693	0.0597	-0.0586	-0.1077	16.5388	-3.4422	18.0574
20	8.2856	1.3516	2.6816	2.5444	0.9263	3.4389	0.32	-0.3594	-0.5223	0.1245	-0.0847	0.0667	0.5149	-0.2545	-0.2353	-0.0689	-0.0501	-0.0075	-0.2175	-0.0025	-0.17	0.9714	-8.9581	8.2547
21	10.6443	-0.0529	-3.3188	9.6978	1.3484	9.6622	0.2797	0.5588	1.0213	-0.6256	-0.0896	-1.4553	-0.4767	1.2447	-0.1901	-0.1365	0.0136	0.0548	-0.0024	0.0188	0.0778	21.1341	2.8455	-2.2437
22	4.8839	-4.535	0.6359	10.2376	-4.8544	32.0064	-0.1576	0.0913	0.4974	-0.238	-0.5116	-1.4278	0.0706	1.0391	0.6692	-0.2015	-0.0027	-0.0208	0.0196	-0.1187	0.195	24.9407	-4.202	1.4656
23	1.4023	-1.0443	-0.2981	11.1022	5.4685	22.1714	0.6361	-0.3153	0.2662	0.8966	0.6657	-1.7589	1.1846	2.1118	-1.3018	-0.0953	0.1425	-0.0232	0.1032	-0.0926	0.1625	25.0816	-12.0933	0.2827
24	1.4784	-2.2118	0.1117	6.3598	-8.7075	23.9165	0.6483	-0.8746	1.1238	-1.2158	0.6756	-0.3906	1.4814	0.9104	-1.324	0.1696	0.188	0.0763	-0.0105	-0.1017	-0.109	19.9233	-12.722	-12.0389
25	11.3583	-2.0445	-1.604	10.5131	3.8633	7.9481	-0.3257	-1.2539	-1.5094	1.7714	0.121	0.3571	1.5973	0.3684	0.2047	0.2078	0.1009	0.0206	-0.0979	0.0693	0.0003	14.1541	-14.108	8.8532
26	8.1187	3.0618	-2.2157	11.1107	-0.7232	3.7113	0.3	0.3671	0.4495	-0.7322	0.2534	-0.1137	-0.9028	0.2906	-0.5535	-0.219	0.0546	0.0323	-0.2188	0.0038	-0.1262	15.3175	-1.5738	-5.059
27	13.4801	-8.1023	-0.4103	12.5156	-2.8405	6.9158	-0.5071	-0.3498	-1.419	1.1454	0.3719	0.2215	0.9796	0.5628	0.1352	-0.1158	0.1494	-0.0701	-0.0931	-0.0318	0.0143	15.6626	-17.4369	2.5146
28	14.5906	9.749	-4.4647	50.3429	-11.631	24.186	0.163	2.0471	0.8465	-3.8243	0.9423	1.1648	0.6014	-1.0723	-1.1053	-0.1048	0.0839	0.0298	0.0428	0.112	-0.0152	14.2398	-7.7544	-11.556
29	18.7088	-7.2639	13.1931	9.2649	-1.7221	12.8475	0.5502	0.2716	0.0862	0.2701	-0.1441	0.7786	0.0269	-1.9862	-0.4061	-0.0507	0.043	-0.0444	0.1088	0.0919	-0.1446	-18.8301	-0.6072	54.1912
30	6.2539	-1.5541	2.5757	1.5716	-0.829	6.0686	0.3737	0.4169	-0.5123	-0.3647	-0.0375	-0.2859	0.7176	0.2481	-0.3362	-0.1613	0.0292	-0.0434	-0.2447	-0.0297	-0.1295	-3.0363	-5.9751	63.7035
31	5.9466	1.6636	-1.711	6.2829	-4.2752	9.9065	0.3954	-0.4483	1.0576	0.7235	0.1471	1.0088	-0.97	-1.6565	-0.5426	-0.1249	0.014	0.0811	0.0625	-0.0434	0.0985	-23.4699	5.9196	74.6374
32	7.1595	-3.4028	-6.4944	24.0314	7.1312	49.2488	-0.0904	0.1257	1.0926	-0.9167	0.073	1.6092	-0.916	-1.126	0.0173	-0.4999	0.0007	-0.1656	0.0093	0.1164	0.1656	-26.8848	-1.267	70.9261
33	2.3281	0.9988	-0.1169	3.2706	2.2262	12.37	0.6256	0.7052	0.1617	-0.0397	-0.0471	1.1286	0.8848	-0.7279	-0.5785	-0.0776	-0.1357	0.0069	0.0772	0.0538	0.0282	-26.9775	-9.1578	72.1415
34	0.6733	-0.018	3.2628	0.3414	-1.4666	21.3926	-0.2688	-0.0227	-0.0596	1.0925	0.7591	0.9837	1.4732	-0.2979	-0.4903	0.0477	-0.2558	0.0733	-0.0826	-0.0486	-0.0753	-21.5824	-9.731	84.3469
35	13.9708	7.0354	-3.7848	10.1964	-4.4565	8.0839	-0.733	1.6101	-1.4846	-1.3782	0.4068	-0.2134	1.7533	-0.5173	0.3262	0.0537	-0.0766	-0.0285	-0.0657	-0.0767	-0.0405	-16.1847	-11.3509	62.9573
36	10.7254	-2.257	-5.1691	13.9586	0.8006	5.2885	0.7558	-0.4171	0.6892	0.6166	-0.1389	0.1425	-0.9056	-0.0499	-0.6169	-0.2173	-0.0591	0.0011	-0.2624	-0.0071	-0.1708	-17.1484	1.4215	77.251
37	10.4096	5.2328	4.4515	8.1761	6.2352	8.0228	0.0983	0.1589	-1.384	-0.8404	0.1946	-0.3275	0.4707	-0.3327	-0.2929	-0.0362	-0.1286	-0.0586	-0.1715	0.0295	-0.0409	-17.5866	-14.477	69.7481
38	25.8795	-3.5235	-17.8281	56.6722	40.2123	46.2273	-0.7062	-1.8236	0.8593	3.2905	1.2471	-0.7683	1.7608	1.6105	-0.541	0.0119	-0.1001	-0.0225	-0.0842	-0.0037	-0.1734	-16.0858	-4.773	83.7617

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	15 - 23
2	X-RAY DIFFRACTION	2	A	24 - 44
3	X-RAY DIFFRACTION	3	A	45 - 62
4	X-RAY DIFFRACTION	4	A	63 - 75
5	X-RAY DIFFRACTION	5	A	76 - 82
6	X-RAY DIFFRACTION	6	A	83 - 111
7	X-RAY DIFFRACTION	7	A	112 - 129
8	X-RAY DIFFRACTION	8	A	130 - 165
9	X-RAY DIFFRACTION	9	A	166 - 175
10	X-RAY DIFFRACTION	10	B	15 - 23
11	X-RAY DIFFRACTION	11	B	24 - 44
12	X-RAY DIFFRACTION	12	B	45 - 62
13	X-RAY DIFFRACTION	13	B	63 - 74
14	X-RAY DIFFRACTION	14	B	75 - 82
15	X-RAY DIFFRACTION	15	B	83 - 110
16	X-RAY DIFFRACTION	16	B	111 - 129
17	X-RAY DIFFRACTION	17	B	130 - 165
18	X-RAY DIFFRACTION	18	B	166 - 175
19	X-RAY DIFFRACTION	19	C	2 - 10
20	X-RAY DIFFRACTION	20	C	11 - 37
21	X-RAY DIFFRACTION	21	C	38 - 65
22	X-RAY DIFFRACTION	22	C	66 - 76
23	X-RAY DIFFRACTION	23	C	77 - 87
24	X-RAY DIFFRACTION	24	C	88 - 93
25	X-RAY DIFFRACTION	25	C	94 - 124
26	X-RAY DIFFRACTION	26	C	125 - 138
27	X-RAY DIFFRACTION	27	C	139 - 151
28	X-RAY DIFFRACTION	28	C	152 - 157
29	X-RAY DIFFRACTION	29	D	2 - 10
30	X-RAY DIFFRACTION	30	D	11 - 37
31	X-RAY DIFFRACTION	31	D	39 - 65
32	X-RAY DIFFRACTION	32	D	66 - 76
33	X-RAY DIFFRACTION	33	D	77 - 87
34	X-RAY DIFFRACTION	34	D	88 - 93
35	X-RAY DIFFRACTION	35	D	94 - 124
36	X-RAY DIFFRACTION	36	D	125 - 138
37	X-RAY DIFFRACTION	37	D	139 - 151
38	X-RAY DIFFRACTION	38	D	152 - 157

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