PDB-2j9u: 2 Angstrom X-ray structure of the yeast ESCRT-I Vps28 C-terminus ...

ID or keywords:

Entry

Database: PDB / ID: 2j9u

Title

2 Angstrom X-ray structure of the yeast ESCRT-I Vps28 C-terminus in complex with the NZF-N domain from ESCRT-II

Components

VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 28
VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 36

Keywords

PROTEIN TRANSPORT / ZINC-FINGER / METAL-BINDING

Function / homology

Function and homology information

ESCRT II complex / ESCRT I complex / protein retention in Golgi apparatus / Endosomal Sorting Complex Required For Transport (ESCRT) / cytoplasm to vacuole targeting by the Cvt pathway / protein transport to vacuole involved in ubiquitin-dependent protein catabolic process via the multivesicular body sorting pathway / ATP export / protein targeting to vacuole / ubiquitin-dependent protein catabolic process via the multivesicular body sorting pathway / phosphatidylinositol-3-phosphate binding ...
Similarity search - Function

Biological species

SACCHAROMYCES CEREVISIAE (brewer's yeast)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2 Å

Authors

Gill, D.J. / Teo, H.L. / Sun, J. / Perisic, O. / Veprintsev, D.B. / Emr, S.D. / Williams, R.L.

Citation

Journal: Embo J. / Year: 2007
Title: Structural Insight Into the Escrt-I/-II Link and its Role in Mvb Trafficking.
Authors: Gill, D.J. / Teo, H.L. / Sun, J. / Perisic, O. / Veprintsev, D.B. / Emr, S.D. / Williams, R.L.

History

Deposition	Nov 16, 2006	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jan 23, 2007	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.2	Jan 24, 2018	Group: Source and taxonomy / Category: entity_src_gen Item: _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _entity_src_gen.pdbx_host_org_scientific_name ..._entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _entity_src_gen.pdbx_host_org_scientific_name / _entity_src_gen.pdbx_host_org_strain / _entity_src_gen.pdbx_host_org_variant
Revision 1.3	May 1, 2024	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 / pdbx_struct_conn_angle / 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 / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _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_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_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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Validation report

Summary document	2j9u_validation.pdf.gz	460.6 KB	Display	wwPDB validaton report
Full document	2j9u_full_validation.pdf.gz	467.6 KB	Display
Data in XML	2j9u_validation.xml.gz	13.3 KB	Display
Data in CIF	2j9u_validation.cif.gz	17.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/j9/2j9u ftp://data.pdbj.org/pub/pdb/validation_reports/j9/2j9u	HTTPS FTP

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Related structure data

Related structure data	2j9vC 2j9wC 1u5t 1w7p 2cay 2caz 2g3k C: citing same article (ref.)
Similar structure data	5ysj-3 3qdr-d 5o2y-d 6otd-d 1cr5-1 1vyk-d 6yxe-2 5ysk-4 3dlr-d 4chh-2 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	#234 - Jun 2019 MDM2 and Cancer similarity (2) #31 - Jul 2002 p53 Tumor Suppressor similarity (2) #161 - May 2013 Ricin similarity (1)

Deposited unit

A: VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 28

B: VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 36

C: VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 28

D: VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 36

hetero molecules

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

1

A: VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 28

B: VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 36

hetero molecules

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

2

C: VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 28

D: VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 36

hetero molecules

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

Unit cell

Length a, b, c (Å)	66.645, 99.961, 115.619
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	20
Space group name H-M	C222₁

Noncrystallographic symmetry (NCS)

NCS domain:

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

NCS domain segments:

Component-ID: 1 / Refine code: 1

Dom-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	PHE	PHE	LEU	LEU	A	A	148 - 241	2 - 95
2	1	PHE	PHE	LEU	LEU	C	C	148 - 241	2 - 95
1	2	VAL	VAL	CYS	CYS	B	B	115 - 161	15 - 61
2	2	VAL	VAL	CYS	CYS	D	D	115 - 161	15 - 61

NCS ensembles :

ID
1
2

NCS oper:

ID	Code	Matrix	Vector
1	given	(0.464593, 0.019547, 0.885308), (-0.146287, 0.987714, 0.05496), (-0.873357, -0.155043, 0.461745)	7.3282, 22.0029, 10.3969
2	given	(0.464593, 0.019547, 0.885308), (-0.146287, 0.987714, 0.05496), (-0.873357, -0.155043, 0.461745)	7.3282, 22.0029, 10.3969

#1: Protein	VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 28 / VPS28 Mass: 11151.820 Da / Num. of mol.: 2 / Fragment: RESIDUES 148-242 Source method: isolated from a genetically manipulated source Source: (gene. exp.) SACCHAROMYCES CEREVISIAE (brewer's yeast) Plasmid: POPC / Production host: ESCHERICHIA COLI BL21(DE3) (bacteria) / Variant (production host): C41 / References: UniProt: Q02767
#2: Protein	VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 36 / VPS36 Mass: 8315.310 Da / Num. of mol.: 2 / Fragment: RESIDUES 110-176 Source method: isolated from a genetically manipulated source Source: (gene. exp.) SACCHAROMYCES CEREVISIAE (brewer's yeast) Plasmid: POPC / Production host: ESCHERICHIA COLI BL21(DE3) (bacteria) / Variant (production host): C41 / References: UniProt: Q06696
#3: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 51 / Source method: isolated from a natural source / Formula: H₂O
Sequence details	INITIAL METHIONINE NOT NATIVE TO VPS28 SEQUENCE MAH6 AFFINITY TAG AND VPS36 RESIDUES 162-176 WERE ...INITIAL METHIONINE NOT NATIVE TO VPS28 SEQUENCE MAH6 AFFINITY TAG AND VPS36 RESIDUES 162-176 WERE DISORDERED IN THIS STRUCTURE

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.16 Å³/Da / Density % sol: 49.7 %
Crystal grow	pH: 7.4 / Details: 20% ETHANOL, 0.1M KCL, pH 7.40

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-2 / Wavelength: 0.873
Detector	Type: MARRESEARCH / Detector: CCD / Date: May 14, 2006 / Details: BENT MIRRORS
Radiation	Monochromator: SI3 MONOCHROMATOR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.873 Å / Relative weight: 1
Reflection	Resolution: 2→55.47 Å / Num. obs: 32191 / % possible obs: 99.9 % / Observed criterion σ(I): 0 / Redundancy: 7.02 % / R_merge(I) obs: 0.1 / Net I/σ(I): 4.2
Reflection shell	Resolution: 2→2.11 Å / Redundancy: 6.17 % / R_merge(I) obs: 0.49 / Mean I/σ(I) obs: 1.4 / % possible all: 99.9

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
MOSFLM		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: ZN PEAK DATASET FROM NATIVE CRYSTAL

Resolution: 2→32.03 Å / Cor.coef. F_o:F_c: 0.927 / Cor.coef. F_o:F_c free: 0.892 / SU B: 7.221 / SU ML: 0.114 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.172 / ESU R Free: 0.16 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.26	1316	5 %	RANDOM
R_work	0.223	-	-	-
obs	0.224	25086	99.8 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 23.39 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.07 Å²	0 Å²	0 Å²
2-	-	0.7 Å²	0 Å²
3-	-	-	0.38 Å²

Refinement step

Cycle: LAST / Resolution: 2→32.03 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	2242	0	2	51	2295

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.022	0.022	2288
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.703	1.974	3106
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.143	5	278
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	41.533	25.2	100
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	17.836	15	406
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	28.852	15	10
X-RAY DIFFRACTION	r_chiral_restr	0.149	0.2	374
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.02	1666
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.218	0.2	867
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.299	0.2	1567
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.168	0.2	52
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	0.353	0.2	38
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.595	0.2	3
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	1.239	1.5	1478
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	1.55	2	2296
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	2.97	3	955
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	4.242	4.5	810
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	769	tight positional	0.15	0.05
1	2	C	769	tight positional	0.15	0.05
2	1	B	352	tight positional	0.07	0.05
2	2	D	352	tight positional	0.07	0.05
1	1	A	769	tight thermal	0.32	0.5
1	2	C	769	tight thermal	0.32	0.5
2	1	B	352	tight thermal	0.4	0.5
2	2	D	352	tight thermal	0.4	0.5

LS refinement shell

Resolution: 2→2.05 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.327	98	-
R_work	0.241	1802	-
obs	-	-	99.79 %

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	3.6089	2.6205	5.2915	2.8347	2.6086	9.392	-0.0429	-0.0302	-0.0564	0.2741	-0.0754	-0.0619	0.453	0.1152	0.1182	0.0013	0.0402	0.0154	-0.0215	-0.0108	-0.0272	31.477	-9.959	16.331
2	12.9016	-3.9163	-0.1377	2.1443	-2.4224	6.357	0.1634	-0.2073	-0.4653	-0.0178	0.021	0.1432	0.4226	-0.0732	-0.1845	-0.0377	-0.0108	0.0127	-0.067	-0.015	-0.0643	21.698	-7.586	10.751
3	11.5413	-3.8361	-1.3565	8.1548	-2.7794	12.5705	0.3144	0.6259	-0.218	-0.4313	-0.162	0.2734	0.0568	-0.8904	-0.1525	-0.0452	-0.0049	-0.0281	0.0969	-0.0113	-0.0391	11.529	-4.81	4.638
4	17.623	-1.2952	4.1759	4.8408	-0.2413	7.6434	0.2402	-0.4516	-0.2095	0.1074	-0.282	0.6906	0.6422	-0.9376	0.0417	-0.0692	-0.0539	0.0187	0.2027	-0.0146	-0.0042	6.82	-5.524	13.93
5	13.8202	-2.5432	1.8253	0.4814	-0.1018	4.3333	-0.1059	-0.5263	-0.0583	0.16	0.2322	0.0161	0.1521	-0.1019	-0.1262	-0.0326	0.0159	0.0232	-0.0054	-0.0042	-0.0673	22.222	-4.881	19.21
6	15.5617	0	7.295	13.372	-6.0765	13.6465	-0.2025	-0.8234	0.7841	0.4223	0.3436	-0.9608	-0.3445	-0.0159	-0.1412	0.0652	-0.0206	-0.0472	-0.0616	-0.0638	-0.008	25.845	4.936	18.039
7	19.5373	-0.8215	0.7914	3.1698	-4.0412	5.1556	-0.06	-0.5972	0.2545	0.2758	0.1475	0.0924	-0.9184	-0.5013	-0.0875	0.0123	0.0706	0.0361	0.0287	-0.0305	-0.0579	14.348	5.091	17.956
8	35.3569	2.5665	1.2451	4.7986	2.3425	7.0521	-0.3853	-0.7615	0.6415	-0.0822	0.3584	0.1056	-0.4271	-0.9512	0.0268	-0.0586	0.0917	0.0448	0.2988	0.0896	-0.0419	4.926	2.624	20.2
9	0	18.1596	40.305	0	16.7359	30.1547	0.2178	1.0982	-0.3479	0.2794	-0.1041	0.4349	-0.1466	-2.0519	-0.1136	-0.1356	0.104	-0.011	0.3021	0.0732	0.0762	1.238	2.079	11.103
10	18.8666	3.0091	2.3365	6.4648	-5.4726	5.9984	0.0534	0.81	0.4551	0.2019	0.1791	-0.2145	-0.255	-0.9694	-0.2324	-0.0124	0.1152	0.064	0.1068	0.028	-0.0489	9.732	5.527	7.454
11	4.897	-2.117	1.3943	2.3132	1.0845	7.6253	0.3243	0.2754	0.2982	-0.1335	-0.1393	-0.1989	-0.1681	-0.5017	-0.1849	0.0141	0.0326	0.0266	-0.0329	0.0488	-0.0519	17.867	4.734	6.778
12	9.31	0	1.0732	8.7692	-5.4445	36.2076	-0.1218	-0.6903	0.121	0.012	-0.0092	0.101	-0.0103	-0.5768	0.131	-0.2124	0.0748	0.0352	-0.0113	-0.0085	-0.1889	17.805	-2.517	34.606
13	21.8116	19.942	0	46.7255	1.7308	28.3772	-0.8814	-0.277	0.3296	-0.4782	0.376	-1.4144	-1.2831	-2.0787	0.5054	-0.1389	0.225	0.0752	0.0951	-0.0487	-0.0371	15.68	1.801	33.619
14	0	30.2056	32.2008	0	25.0903	22.8514	-0.9564	-0.2993	-2.5536	2.0877	-0.8019	1.6864	2.2348	-2.5579	1.7583	-0.0437	-0.2546	0.1204	0.2703	0.0794	-0.0748	15.362	-10.174	40.064
15	22.6711	0	7.5358	55.4613	-5.924	18.3997	0.505	0.7461	-2.5324	-1.1907	0.2151	-0.7207	1.8661	-0.0662	-0.7201	-0.0569	-0.0486	0.0509	-0.1717	0.0653	0.0918	16.934	-15.724	34.034
16	4.9346	-6.9688	3.1075	16.0847	-5.6352	9.4316	0.1081	-0.5351	0.0261	-0.1152	0.1052	0.1459	0.0713	-0.8313	-0.2134	-0.1692	0.0014	0.0061	0.0634	0.0403	-0.1939	14.463	-5.221	29.134
17	8.233	-1.967	0.9331	10.7712	1.1667	17.6787	0.2975	-0.5888	0.0384	0.1335	0.0145	-0.2055	0.1798	0.584	-0.3121	-0.2335	0.0516	-0.0023	-0.0059	0.0502	-0.2036	23.963	-5.95	35.586
18	10.0517	5.7834	-1.6554	8.9296	1.8886	13.5534	-0.1048	0.5155	-0.3874	-0.1641	0.2272	-0.769	-0.2016	0.5711	-0.1223	-0.0306	-0.019	0.0121	-0.0331	-0.0582	0.0409	37.156	8.051	-8.241
19	6.19	-2.2075	-4.4868	2.6043	1.7766	5.5818	-0.0464	0.3073	-0.0972	0.0303	-0.0547	0.2698	-0.1072	-0.2974	0.1012	-0.0676	0.0205	-0.0192	-0.0839	-0.04	0.0034
20	7.7073	6.0309	8.1944	17.3659	2.1101	20.8192	-0.4327	-1.096	0.3693	0.5631	-0.0311	0.9005	-0.839	-0.309	0.4638	-0.0268	0.0888	0.0649	0.0344	-0.0671	-0.0275	18.604	17.412	11.853
21	8.0993	-1.098	-5.5501	5.9792	4.1932	17.999	-0.0953	-1.016	0.023	0.205	0.0322	0.2178	0.2746	-0.586	0.0631	-0.0442	0.046	-0.0295	0.0337	-0.0257	-0.0565	26.684	15.437	9.598
22	1.7251	0.853	-0.5385	2.1316	0.3687	5.6049	-0.1668	-0.0118	0.4482	-0.0827	0.2511	-0.1883	-0.154	0.3201	-0.0844	-0.0477	-0.0044	-0.031	-0.1036	-0.039	-0.0088
23	8.5758	-5.2084	0	19.0467	2.8928	7.1843	0.5603	-0.2998	0.6184	-1.0594	-0.123	-0.0229	-0.1451	0.2587	-0.4373	-0.041	-0.0818	-0.0201	-0.0689	0.0355	0.0805	36.921	23.665	-5.475
24	10.7354	-1.5589	0	1.8591	0.7118	20.6668	-0.1402	-0.2135	0.8683	0.0851	-0.0398	-0.2146	-0.5781	0.1287	0.1799	0.02	0.0322	-0.0293	-0.1682	-0.0659	0.1778	30.235	26.327	2.313
25	9.1748	8.3943	-4.9679	9.1163	0.8667	23.0849	-0.483	-0.8523	0.9868	0.1332	0.6009	-0.1068	-0.1672	0.0768	-0.1179	0.044	0.1055	-0.084	0.0217	-0.1351	0.0416	29.309	24.726	11.453
26	15.304	-2.6088	8.0353	7.175	0.9822	10.4645	0.2485	-1.0162	0.2768	0.9683	0.3559	0.4449	0.3506	0.0393	-0.6044	0.1515	0.2041	0.0353	0.1631	-0.2225	0.0092	20.387	24.542	15.216
27	19.5088	27.7769	-1.4497	0	10.8462	4.9613	0.1223	0.1766	0.8104	-0.1935	-0.1537	-0.1968	-0.8251	-0.8014	0.0313	0.0515	0.161	-0.072	-0.0668	-0.0637	0.076	18.453	26.127	4.307
28	13.9009	-7.0511	-7.6202	5.2187	6.413	17.7823	-0.0632	0.6541	0.1699	-0.6003	-0.1444	0.6528	-1.1624	-1.0867	0.2075	0.0404	0.0786	-0.0778	-0.0537	0.0112	0.102	21.76	24.321	-2.844
29	18.8987	-3.5488	0	8.22	8.4049	11.8179	-0.1503	0.3988	0.3133	-1.1563	-0.0992	-0.2422	-0.66	-0.0563	0.2496	0.1414	0.0717	0.0201	-0.0325	0.0473	-0.0277	29.549	19.517	-10.622
30	25.1946	-7.1901	14.2123	7.6306	-3.0068	10.4091	-0.1848	0.1638	0.0777	0.5037	0.059	0.0592	-0.653	0.5175	0.1259	-0.1245	-0.0595	-0.0936	-0.0719	-0.0461	-0.0495	45.926	19.714	9.941
31	0	24.8319	43.7382	0	28.6253	27.2437	0.4239	-0.2144	0.6703	0.3865	-0.8003	-0.1539	-0.3972	1.1119	0.3765	-0.1193	-0.0815	-0.0903	-0.1127	-0.1156	-0.0855	46.154	22.62	12.461
32	25.6088	-6.6947	-0.5379	16.3968	1.693	6.056	0.1575	-0.2765	-1.6975	1.797	-0.3224	-0.3806	0.6858	0.9086	0.1649	0.0624	0.0229	-0.2037	-0.125	0.1081	0.1638	50.082	9.367	14.688
33	14.4143	0	3.8398	25.5769	-9.4979	10.1414	0.2027	-0.8816	-0.3474	0.6344	-0.1406	0.7586	-0.1261	0.0427	-0.0622	-0.0709	-0.0155	-0.0545	-0.0299	-0.0797	-0.0955	39.534	16.457	14.494
34	26.2228	9.118	-3.6899	3.3072	0.18	16.1732	0.3017	0.2401	-1.229	0.3637	0.2233	-0.3862	0.406	0.8482	-0.5249	-0.1415	0.0807	-0.1184	-0.1856	-0.0804	0.0023	43.385	11.496	6.407
35	42.077	8.3147	16.1772	9.6836	6.1618	7.313	0.422	0.7261	-1.3309	0.119	-0.4954	-0.8018	0.3638	0.3498	0.0735	-0.1724	-0.0099	-0.0798	0.015	-0.0884	0.0805	51.724	15.695	7.34

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	148 - 154
2	X-RAY DIFFRACTION	2	A	155 - 162
3	X-RAY DIFFRACTION	3	A	163 - 170
4	X-RAY DIFFRACTION	4	A	171 - 180
5	X-RAY DIFFRACTION	5	A	181 - 192
6	X-RAY DIFFRACTION	6	A	193 - 199
7	X-RAY DIFFRACTION	7	A	200 - 207
8	X-RAY DIFFRACTION	8	A	208 - 213
9	X-RAY DIFFRACTION	9	A	214 - 221
10	X-RAY DIFFRACTION	10	A	222 - 226
11	X-RAY DIFFRACTION	11	A	227 - 232
12	X-RAY DIFFRACTION	12	B	115 - 122
13	X-RAY DIFFRACTION	13	B	123 - 128
14	X-RAY DIFFRACTION	14	B	129 - 134
15	X-RAY DIFFRACTION	15	B	135 - 140
16	X-RAY DIFFRACTION	16	B	141 - 152
17	X-RAY DIFFRACTION	17	B	153 - 161
18	X-RAY DIFFRACTION	18	C	148 - 152
19	X-RAY DIFFRACTION	19	C	153 - 169
20	X-RAY DIFFRACTION	20	C	170 - 174
21	X-RAY DIFFRACTION	21	C	175 - 183
22	X-RAY DIFFRACTION	22	C	184 - 192
23	X-RAY DIFFRACTION	23	C	193 - 197
24	X-RAY DIFFRACTION	24	C	198 - 205
25	X-RAY DIFFRACTION	25	C	206 - 210
26	X-RAY DIFFRACTION	26	C	211 - 221
27	X-RAY DIFFRACTION	27	C	222 - 226
28	X-RAY DIFFRACTION	28	C	227 - 232
29	X-RAY DIFFRACTION	29	C	233 - 241
30	X-RAY DIFFRACTION	30	D	115 - 123
31	X-RAY DIFFRACTION	31	D	124 - 129
32	X-RAY DIFFRACTION	32	D	130 - 137
33	X-RAY DIFFRACTION	33	D	138 - 148
34	X-RAY DIFFRACTION	34	D	149 - 154
35	X-RAY DIFFRACTION	35	D	155 - 161

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