PDB-6r5y: 8-bladed beta-propeller formed by two 4-bladed fragments

ID or keywords:

Entry

Database: PDB / ID: 6r5y

Title

8-bladed beta-propeller formed by two 4-bladed fragments

Components

WD-40 repeat protein

Keywords

UNKNOWN FUNCTION / Repeat Protein / Fragment Amplification / Protein Evolution / Protein Design

Function / homology

Function and homology information

microtubule organizing center organization / microtubule plus-end binding / retrograde axonal transport / microtubule associated complex / dynein complex binding / cytoplasmic microtubule / kinetochore / neuron projection / neuronal cell body / membrane / metal ion binding
Similarity search - Function

Biological species

Nostoc punctiforme (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.15 Å

Authors

Martin, J. / Lupas, A.N. / Hartmann, M.D.

Citation

Journal: Elife / Year: 2019
Title: Structural diversity of oligomeric beta-propellers with different numbers of identical blades.
Authors: Afanasieva, E. / Chaudhuri, I. / Martin, J. / Hertle, E. / Ursinus, A. / Alva, V. / Hartmann, M.D. / Lupas, A.N.

History

Deposition	Mar 25, 2019	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Nov 13, 2019	Provider: repository / Type: Initial release
Revision 1.1	Jan 24, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_ncs_dom_lim 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_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.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_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.value / _struct_conn.pdbx_dist_value / _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 / _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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6r5y.cif.gz	380.4 KB	Display	PDBx/mmCIF format
PDB format	pdb6r5y.ent.gz	313.9 KB	Display	PDB format
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Validation report

Summary document	6r5y_validation.pdf.gz	467.8 KB	Display	wwPDB validaton report
Full document	6r5y_full_validation.pdf.gz	480.5 KB	Display
Data in XML	6r5y_validation.xml.gz	37.7 KB	Display
Data in CIF	6r5y_validation.cif.gz	53.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/r5/6r5y ftp://data.pdbj.org/pub/pdb/validation_reports/r5/6r5y	HTTPS FTP

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Related structure data

Related structure data	6r5xC 6r5zC 6r60C 2ymuS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	2xzw-2 6n31-1 3brc-d 5naf-4 4ee6-2 6g6o-3 7kqq-1 3p97-2 3n13-d 6g6q-1 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 - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: WD-40 repeat protein

B: WD-40 repeat protein

C: WD-40 repeat protein

D: WD-40 repeat protein

E: WD-40 repeat protein

F: WD-40 repeat protein

hetero molecules

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

1

A: WD-40 repeat protein

B: WD-40 repeat protein

hetero molecules

defined by author
Evidence: gel filtration
35.8 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: WD-40 repeat protein

D: WD-40 repeat protein

hetero molecules

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

3

E: WD-40 repeat protein

F: WD-40 repeat protein

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

Unit cell

Length a, b, c (Å)	97.721, 127.167, 72.958
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	18
Space group name H-M	P2₁2₁2

Components on special symmetry positions

ID	Model	Components
1	1	A-302- HOH

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: _ / Refine code: _

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	SER	SER	GLY	GLY	A	A	5 - 165	7 - 167
2	1	SER	SER	GLY	GLY	B	B	5 - 165	7 - 167
1	2	SER	SER	GLY	GLY	A	A	5 - 165	7 - 167
2	2	SER	SER	GLY	GLY	C	C	5 - 165	7 - 167
1	3	SER	SER	LEU	LEU	A	A	5 - 163	7 - 165
2	3	SER	SER	LEU	LEU	D	D	5 - 163	7 - 165
1	4	SER	SER	LEU	LEU	A	A	5 - 163	7 - 165
2	4	SER	SER	LEU	LEU	E	E	5 - 163	7 - 165
1	5	ALA	ALA	HIS	HIS	A	A	0 - 166	2 - 168
2	5	ALA	ALA	HIS	HIS	F	F	0 - 166	2 - 168
1	6	SER	SER	HIS	HIS	B	B	5 - 166	7 - 168
2	6	SER	SER	HIS	HIS	C	C	5 - 166	7 - 168
1	7	SER	SER	LEU	LEU	B	B	5 - 163	7 - 165
2	7	SER	SER	LEU	LEU	D	D	5 - 163	7 - 165
1	8	SER	SER	LEU	LEU	B	B	5 - 163	7 - 165
2	8	SER	SER	LEU	LEU	E	E	5 - 163	7 - 165
1	9	SER	SER	GLY	GLY	B	B	5 - 165	7 - 167
2	9	SER	SER	GLY	GLY	F	F	5 - 165	7 - 167
1	10	SER	SER	LEU	LEU	C	C	5 - 163	7 - 165
2	10	SER	SER	LEU	LEU	D	D	5 - 163	7 - 165
1	11	SER	SER	LEU	LEU	C	C	5 - 163	7 - 165
2	11	SER	SER	LEU	LEU	E	E	5 - 163	7 - 165
1	12	SER	SER	GLY	GLY	C	C	5 - 165	7 - 167
2	12	SER	SER	GLY	GLY	F	F	5 - 165	7 - 167
1	13	SER	SER	THR	THR	D	D	5 - 164	7 - 166
2	13	SER	SER	THR	THR	E	E	5 - 164	7 - 166
1	14	SER	SER	LEU	LEU	D	D	5 - 163	7 - 165
2	14	SER	SER	LEU	LEU	F	F	5 - 163	7 - 165
1	15	SER	SER	LEU	LEU	E	E	5 - 163	7 - 165
2	15	SER	SER	LEU	LEU	F	F	5 - 163	7 - 165

NCS ensembles :

ID
6
1
2
3
4
5
7
8
9
10
11
12
13
14
15

#1: Protein	WD-40 repeat protein / 8-bladed beta-propeller formed by two 4-bladed fragments Mass: 17773.471 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Nostoc punctiforme (bacteria) / Gene: Npun_R6612 / Production host: Escherichia coli (E. coli) / References: UniProt: B2J0I0
#2: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Zn
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 330 / 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: 2.13 Å³/Da / Density % sol: 42.13 %
Crystal grow	Temperature: 294 K / Method: vapor diffusion, sitting drop Details: 0.01M Zinc chloride 0.1M Hepes pH 7 20% w/v PEG 6000

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 1 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 3, 2012
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.15→38.7 Å / Num. obs: 49886 / % possible obs: 99.4 % / Redundancy: 3.7 % / CC_1/2: 0.995 / R_merge(I) obs: 0.11 / Net I/σ(I): 10.1
Reflection shell	Resolution: 2.15→2.28 Å / Redundancy: 3.51 % / R_merge(I) obs: 0.76 / Mean I/σ(I) obs: 1.94 / Num. unique obs: 7918 / CC_1/2: 0.726 / % possible all: 99

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0049	refinement
XDS		data reduction
XDS		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2YMU

2ymu

Resolution: 2.15→38.7 Å / Cor.coef. F_o:F_c: 0.939 / Cor.coef. F_o:F_c free: 0.919 / SU B: 15.751 / SU ML: 0.193 / Cross valid method: THROUGHOUT / ESU R: 0.332 / ESU R Free: 0.224 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.25368	2485	5 %	RANDOM
R_work	0.2229	-	-	-
obs	0.22445	47400	99.35 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å

Displacement parameters

B_iso mean: 36.028 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.36 Å²	-0 Å²	0 Å²
2-	-	-0.37 Å²	0 Å²
3-	-	-	0.01 Å²

Refinement step

Cycle: 1 / Resolution: 2.15→38.7 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7350	0	6	330	7686

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.011	0.019	7510
X-RAY DIFFRACTION	r_bond_other_d	0.009	0.02	6894
X-RAY DIFFRACTION	r_angle_refined_deg	1.514	1.908	10246
X-RAY DIFFRACTION	r_angle_other_deg	1.467	3	15835
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.974	5	972
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	33.101	25.419	310
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.636	15	1168
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.566	15	24
X-RAY DIFFRACTION	r_chiral_restr	0.079	0.2	1170
X-RAY DIFFRACTION	r_gen_planes_refined	0.009	0.02	8752
X-RAY DIFFRACTION	r_gen_planes_other	0.007	0.02	1780
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
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
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
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	0.674	1.433	3906
X-RAY DIFFRACTION	r_mcbond_other	0.674	1.433	3905
X-RAY DIFFRACTION	r_mcangle_it	1.132	2.148	4872
X-RAY DIFFRACTION	r_mcangle_other	1.132	2.148	4873
X-RAY DIFFRACTION	r_scbond_it	0.735	1.525	3603
X-RAY DIFFRACTION	r_scbond_other	0.735	1.525	3603
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	1.187	2.253	5373
X-RAY DIFFRACTION	r_long_range_B_refined	4.582	12.223	8442
X-RAY DIFFRACTION	r_long_range_B_other	4.545	12.05	8373
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 / Type: interatomic distance / Weight position: 0.05

Ens-ID	Dom-ID	Auth asym-ID	Number	Rms dev position (Å)
1	1	A	8622	0.13
1	2	B	8622	0.13
2	1	A	8635	0.13
2	2	C	8635	0.13
3	1	A	8576	0.14
3	2	D	8576	0.14
4	1	A	8595	0.14
4	2	E	8595	0.14
5	1	A	8974	0.14
5	2	F	8974	0.14
6	1	B	8981	0.11
6	2	C	8981	0.11
7	1	B	8932	0.11
7	2	D	8932	0.11
8	1	B	8951	0.1
8	2	E	8951	0.1
9	1	B	8667	0.12
9	2	F	8667	0.12
10	1	C	9081	0.1
10	2	D	9081	0.1
11	1	C	8966	0.09
11	2	E	8966	0.09
12	1	C	8718	0.12
12	2	F	8718	0.12
13	1	D	9011	0.1
13	2	E	9011	0.1
14	1	D	8639	0.13
14	2	F	8639	0.13
15	1	E	8674	0.12
15	2	F	8674	0.12

LS refinement shell

Resolution: 2.15→2.206 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.379	184	-
R_work	0.333	3410	-
obs	-	-	98.28 %

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	0.4807	1.954	-1.3148	8.0904	-5.3863	3.8448	-0.0495	-0.0048	0.0492	-0.2067	0.0903	0.345	0.3099	-0.1123	-0.0408	0.1722	-0.0131	0.0444	0.2091	-0.0116	0.2711	28.8126	75.4651	26.8014
2	6.723	-0.3785	0.0452	1.3238	1.7064	4.2123	0.1204	-0.6657	0.0159	0.2557	0.0271	0.1614	0.203	-0.2994	-0.1475	0.1251	0.0336	0.0061	0.1214	0.0069	0.2476	33.7371	84.8373	39.0566
3	6.8155	1.5017	-0.9765	3.5012	0.6565	5.9029	0.0059	-0.4472	-0.0759	0.2456	-0.0528	0.1366	0.1261	0.0147	0.0469	0.0195	0.0024	0.0126	0.0336	-0.0168	0.2089	42.6342	79.5515	32.4654
4	4.2548	0.7774	-0.8759	4.6844	-0.6038	3.2598	-0.1294	0.1155	-0.1736	0.0193	0.189	-0.2908	0.1631	0.1944	-0.0596	0.0116	0.0091	0.0072	0.0275	-0.022	0.1611	43.0873	73.4003	22.224
5	2.2363	1.5535	0.4613	3.5935	2.2987	5.6511	-0.115	0.2948	-0.1031	-0.3304	-0.0592	0.0522	0.1711	0.1796	0.1742	0.071	0.0434	0.0232	0.093	-0.016	0.271	34.6165	71.83	13.4104
6	4.0032	-0.7865	0.8216	2.0845	-0.2472	2.9605	0.1249	0.3055	-0.1661	-0.3132	-0.1274	0.1065	0.1227	-0.0641	0.0025	0.0812	0.0117	-0.025	0.0329	-0.0043	0.2023	22.4091	69.6176	12.2826
7	3.9963	-0.9701	1.1705	4.1035	-1.6963	4.8472	0.0237	0.1324	-0.3664	-0.3988	0.0995	0.3101	0.277	-0.241	-0.1231	0.0445	-0.0198	-0.0268	0.0224	-0.0097	0.2203	12.6993	75.1762	16.0234
8	4.3461	0.2215	0.3619	3.0491	-0.2113	4.4341	-0.0661	0.0092	-0.1481	-0.0175	0.0212	0.3303	0.1255	-0.4333	0.045	0.0069	-0.013	0.017	0.0433	-0.0108	0.2005	12.2487	82.732	25.4302
9	1.5401	0.6453	1.9689	3.5703	2.8647	3.7783	-0.0132	-0.0307	0.0357	0.2737	0.0208	-0.0841	0.1584	-0.017	-0.0076	0.0492	0.0181	0.0142	0.0097	0.0079	0.2649	21.534	86.9781	32.81
10	6.9381	-0.1188	-0.2689	5.864	-3.6899	4.9437	-0.0073	0.0797	0.1535	-0.0631	-0.0413	0.0829	-0.2413	-0.2103	0.0486	0.2108	0.0035	-0.0254	0.1552	-0.0089	0.2495	26.4473	51.0774	-0.0522
11	6.6176	-1.0037	-1.502	4.6984	-0.9052	4.544	0.1398	-0.0956	0.3034	-0.0886	0.0429	-0.122	-0.4091	-0.0226	-0.1827	0.0699	-0.0361	0.0019	0.0595	-0.0054	0.2137	37.5402	47.7083	2.3629
12	4.5754	-0.5294	-0.7012	7.32	2.7294	4.5327	-0.0722	-0.1217	0.0618	0.0969	0.1203	-0.2254	0.0324	0.1884	-0.0481	0.0073	-0.0113	0.0008	0.05	-0.0025	0.1787	41.033	36.8857	6.0524
13	3.2456	0.5083	-2.2541	8.312	0.5406	1.6942	-0.2498	-0.0251	-0.3128	0.5159	0.0916	-0.1607	0.3004	-0.0127	0.1582	0.2044	-0.0412	-0.0817	0.1259	0.0006	0.2832	34.0219	26.8059	8.2573
14	5.5465	0.9629	0.731	8.0058	0.6186	2.7957	0.1492	-0.3169	-0.2265	0.7488	-0.1547	-0.4202	0.0871	0.1838	0.0056	0.1853	0.0105	-0.0094	0.1272	0.0156	0.3121	22.6669	21.7369	12.7711
15	6.3474	0.5817	3.3362	4.429	0.1602	6.116	-0.0374	-0.39	-0.3333	0.3241	-0.0517	0.1628	0.0118	-0.2166	0.0891	0.0481	-0.0002	0.0036	0.0825	-0.0042	0.2761	11.4449	25.0752	10.8837
16	5.1498	-0.2181	0.9951	4.2863	0.673	8.3691	-0.0795	-0.1389	-0.1065	0.0607	-0.1448	0.3556	-0.0493	-0.4758	0.2244	0.1306	0.0022	-0.0345	0.0832	-0.0093	0.2651	8.0438	35.0771	5.1659
17	1.5083	0.0364	1.348	6.9714	-1.001	1.928	-0.2102	0.1895	0.2234	-0.2141	0.07	0.0942	-0.531	-0.0805	0.1401	0.3257	0.0646	-0.04	0.2231	0.0552	0.284	14.9191	43.6429	0.0533
18	3.2553	-1.6194	0.1063	9.8153	-1.8832	2.5264	0.0212	-0.2322	-0.1997	-0.1382	0.235	1.0753	-0.0916	-0.5759	-0.2562	0.0806	0.0052	-0.0049	0.1692	0.0729	0.2917	16.1593	46.8701	29.0157
19	4.1994	-0.567	0.5238	7.5681	-1.3223	2.1652	0.0401	0.2882	-0.057	-0.2737	-0.0267	0.0511	-0.0409	-0.2162	-0.0134	0.0177	0.0139	0.021	0.0529	-0.0071	0.1597	27.3328	43.4241	28.1782
20	4.2599	0.7645	-0.31	3.9084	0.7949	1.6823	0.066	0.1442	0.0009	0.0976	-0.0432	-0.2575	-0.0416	0.1016	-0.0228	0.0093	-0.0065	-0.0373	0.0184	0.0239	0.2329	36.2725	46.2178	35.6933
21	0.9002	-0.7936	0.1273	7.3799	0.08	0.0556	0.1093	-0.2597	0.0062	0.6628	-0.0968	-0.255	-0.0094	0.0152	-0.0125	0.3461	-0.1135	-0.0742	0.2251	0.0222	0.2432	36.2558	52.8473	45.7966
22	0.0852	0.9068	-0.5542	10.6052	-6.4528	3.9276	0.01	0.028	-0.0259	0.4192	-0.3281	-0.5407	-0.2609	0.1766	0.3181	0.4544	-0.0417	-0.0446	0.5342	0.051	0.4691	22.7164	57.6371	41.2419
23	3.8301	3.4286	0.3323	6.599	4.2008	4.7152	-0.498	0.2699	-0.6239	-0.3775	0.6839	-0.9687	-0.3606	0.7391	-0.1859	0.7185	-0.0545	-0.1161	0.4129	0.1078	0.6575	29.9969	62.8043	54.1833
24	9.1446	4.4855	2.2734	8.4072	1.9303	3.8712	-0.3286	0.5023	0.4805	0.3196	0.3216	0.2227	-0.1287	0.1957	0.007	0.3184	0.0609	0.0929	0.1552	0.0393	0.2842	17.8199	64.3471	54.3076
25	6.1878	4.5341	-0.1168	7.5635	0.7295	4.9244	-0.2775	0.1386	0.7598	0.2536	0.0026	1.0905	-0.3244	-0.0569	0.275	0.1642	-0.0181	0.0587	0.1586	0.0435	0.4688	8.99	60.5044	47.2766
26	3.6082	0.9801	-0.8819	3.6626	2.5007	9.5214	-0.1948	0.3434	-0.1309	-0.195	-0.2144	0.6993	0.1217	-0.2124	0.4092	0.2031	-0.016	0.0719	0.3363	-0.0096	0.4023	9.3786	51.8366	38.2329

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	-10 - 9
2	X-RAY DIFFRACTION	2	A	10 - 42
3	X-RAY DIFFRACTION	3	A	43 - 83
4	X-RAY DIFFRACTION	4	A	84 - 124
5	X-RAY DIFFRACTION	5	A	125 - 9999
6	X-RAY DIFFRACTION	6	B	-10 - 42
7	X-RAY DIFFRACTION	7	B	43 - 83
8	X-RAY DIFFRACTION	8	B	84 - 124
9	X-RAY DIFFRACTION	9	B	125 - 9999
10	X-RAY DIFFRACTION	10	C	-10 - 42
11	X-RAY DIFFRACTION	11	C	43 - 83
12	X-RAY DIFFRACTION	12	C	84 - 124
13	X-RAY DIFFRACTION	13	C	125 - 9999
14	X-RAY DIFFRACTION	14	D	-10 - 42
15	X-RAY DIFFRACTION	15	D	43 - 83
16	X-RAY DIFFRACTION	16	D	84 - 124
17	X-RAY DIFFRACTION	17	D	125 - 9999
18	X-RAY DIFFRACTION	18	E	-10 - 42
19	X-RAY DIFFRACTION	19	E	43 - 83
20	X-RAY DIFFRACTION	20	E	84 - 124
21	X-RAY DIFFRACTION	21	E	125 - 9999
22	X-RAY DIFFRACTION	22	F	-10 - 9
23	X-RAY DIFFRACTION	23	F	10 - 42
24	X-RAY DIFFRACTION	24	F	43 - 83
25	X-RAY DIFFRACTION	25	F	84 - 124
26	X-RAY DIFFRACTION	26	F	125 - 9999

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