PDB-4xk9: Crystal structure of A-AChBP in complex with pinnatoxin G

ID or keywords:

Entry

Database: PDB / ID: 4xk9

Title

Crystal structure of A-AChBP in complex with pinnatoxin G

Components

Soluble acetylcholine receptor

Keywords

ACETYLCHOLINE-BINDING PROTEIN / receptor / phycotoxin

Function / homology

Function and homology information

excitatory extracellular ligand-gated monoatomic ion channel activity / transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential / transmembrane signaling receptor activity / postsynapse / neuron projection / identical protein binding / membrane / metal ion binding
Similarity search - Function

Biological species

Aplysia californica (California sea hare)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.2 Å

Authors

Bourne, Y. / Sulzenbacher, G. / Marchot, P.

Citation

Journal: Structure / Year: 2015
Title: Marine Macrocyclic Imines, Pinnatoxins A and G: Structural Determinants and Functional Properties to Distinguish Neuronal alpha 7 from Muscle alpha 12 beta gamma delta nAChRs.
Authors: Bourne, Y. / Sulzenbacher, G. / Radic, Z. / Araoz, R. / Reynaud, M. / Benoit, E. / Zakarian, A. / Servent, D. / Molgo, J. / Taylor, P. / Marchot, P.

History

Deposition	Jan 10, 2015	Deposition site: RCSB / Processing site: PDBE
Revision 1.0	Jun 3, 2015	Provider: repository / Type: Initial release
Revision 1.1	Jun 10, 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 / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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
Revision 1.3	Oct 23, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

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Related structure data

Related structure data	4xheC 2bynS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	2wzy-2 2byr-2 5tvc-d 5oaj-1 3peo-2 4zk4-d 2w8g-d 3pmz-2 2wzy-1 3peo-1 2xnu-d 2xz6-2 2w8f-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) 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	#191 - Nov 2015 Glutamate-gated Chloride Receptors similarity (4) #71 - Nov 2005 Acetylcholine Receptor similarity (4)

Deposited unit

A: Soluble acetylcholine receptor

B: Soluble acetylcholine receptor

C: Soluble acetylcholine receptor

D: Soluble acetylcholine receptor

E: Soluble acetylcholine receptor

F: Soluble acetylcholine receptor

G: Soluble acetylcholine receptor

H: Soluble acetylcholine receptor

I: Soluble acetylcholine receptor

J: Soluble acetylcholine receptor

hetero molecules

267 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Soluble acetylcholine receptor

B: Soluble acetylcholine receptor

C: Soluble acetylcholine receptor

D: Soluble acetylcholine receptor

E: Soluble acetylcholine receptor

hetero molecules

defined by author&software
133 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

F: Soluble acetylcholine receptor

G: Soluble acetylcholine receptor

H: Soluble acetylcholine receptor

I: Soluble acetylcholine receptor

J: Soluble acetylcholine receptor

hetero molecules

defined by author&software
133 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	184.844, 142.918, 142.130
Angle α, β, γ (deg.)	90.00, 126.48, 90.00
Int Tables number	5
Space group name H-M	C121

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: _ / End auth comp-ID: ARG / End label comp-ID: ARG / Refine code: _

Dom-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	LYS	LYS	A	A	-1 - 207	8 - 216
2	1	LYS	LYS	B	B	-1 - 207	8 - 216
1	2	HIS	HIS	A	A	1 - 207	10 - 216
2	2	HIS	HIS	C	C	1 - 207	10 - 216
1	3	SER	SER	A	A	2 - 207	11 - 216
2	3	SER	SER	D	D	2 - 207	11 - 216
1	4	LEU	LEU	A	A	0 - 207	9 - 216
2	4	LEU	LEU	E	E	0 - 207	9 - 216
1	5	LYS	LYS	A	A	-1 - 207	8 - 216
2	5	LYS	LYS	F	F	-1 - 207	8 - 216
1	6	HIS	HIS	A	A	1 - 207	10 - 216
2	6	HIS	HIS	G	G	1 - 207	10 - 216
1	7	LEU	LEU	A	A	0 - 207	9 - 216
2	7	LEU	LEU	H	H	0 - 207	9 - 216
1	8	LYS	LYS	A	A	-1 - 207	8 - 216
2	8	LYS	LYS	I	I	-1 - 207	8 - 216
1	9	LEU	LEU	A	A	0 - 207	9 - 216
2	9	LEU	LEU	J	J	0 - 207	9 - 216
1	10	HIS	HIS	B	B	1 - 207	10 - 216
2	10	HIS	HIS	C	C	1 - 207	10 - 216
1	11	SER	SER	B	B	2 - 207	11 - 216
2	11	SER	SER	D	D	2 - 207	11 - 216
1	12	ASP	ASP	B	B	-3 - 207	6 - 216
2	12	ASP	ASP	E	E	-3 - 207	6 - 216
1	13	ASP	ASP	B	B	-2 - 207	7 - 216
2	13	ASP	ASP	F	F	-2 - 207	7 - 216
1	14	HIS	HIS	B	B	1 - 207	10 - 216
2	14	HIS	HIS	G	G	1 - 207	10 - 216
1	15	ASP	ASP	B	B	-3 - 207	6 - 216
2	15	ASP	ASP	H	H	-3 - 207	6 - 216
1	16	ASP	ASP	B	B	-2 - 207	7 - 216
2	16	ASP	ASP	I	I	-2 - 207	7 - 216
1	17	ASP	ASP	B	B	-3 - 207	6 - 216
2	17	ASP	ASP	J	J	-3 - 207	6 - 216
1	18	SER	SER	C	C	2 - 207	11 - 216
2	18	SER	SER	D	D	2 - 207	11 - 216
1	19	HIS	HIS	C	C	1 - 207	10 - 216
2	19	HIS	HIS	E	E	1 - 207	10 - 216
1	20	LEU	LEU	C	C	0 - 207	9 - 216
2	20	LEU	LEU	F	F	0 - 207	9 - 216
1	21	HIS	HIS	C	C	1 - 207	10 - 216
2	21	HIS	HIS	G	G	1 - 207	10 - 216
1	22	HIS	HIS	C	C	1 - 207	10 - 216
2	22	HIS	HIS	H	H	1 - 207	10 - 216
1	23	LEU	LEU	C	C	0 - 207	9 - 216
2	23	LEU	LEU	I	I	0 - 207	9 - 216
1	24	HIS	HIS	C	C	1 - 207	10 - 216
2	24	HIS	HIS	J	J	1 - 207	10 - 216
1	25	SER	SER	D	D	2 - 207	11 - 216
2	25	SER	SER	E	E	2 - 207	11 - 216
1	26	SER	SER	D	D	2 - 207	11 - 216
2	26	SER	SER	F	F	2 - 207	11 - 216
1	27	SER	SER	D	D	2 - 207	11 - 216
2	27	SER	SER	G	G	2 - 207	11 - 216
1	28	SER	SER	D	D	2 - 207	11 - 216
2	28	SER	SER	H	H	2 - 207	11 - 216
1	29	SER	SER	D	D	2 - 207	11 - 216
2	29	SER	SER	I	I	2 - 207	11 - 216
1	30	SER	SER	D	D	2 - 207	11 - 216
2	30	SER	SER	J	J	2 - 207	11 - 216
1	31	ASP	ASP	E	E	-2 - 207	7 - 216
2	31	ASP	ASP	F	F	-2 - 207	7 - 216
1	32	HIS	HIS	E	E	1 - 207	10 - 216
2	32	HIS	HIS	G	G	1 - 207	10 - 216
1	33	ASP	ASP	E	E	-3 - 208	6 - 217
2	33	ASP	ASP	H	H	-3 - 208	6 - 217
1	34	ASP	ASP	E	E	-2 - 207	7 - 216
2	34	ASP	ASP	I	I	-2 - 207	7 - 216
1	35	ASP	ASP	E	E	-3 - 208	6 - 217
2	35	ASP	ASP	J	J	-3 - 208	6 - 217
1	36	HIS	HIS	F	F	1 - 207	10 - 216
2	36	HIS	HIS	G	G	1 - 207	10 - 216
1	37	ASP	ASP	F	F	-2 - 207	7 - 216
2	37	ASP	ASP	H	H	-2 - 207	7 - 216
1	38	ASP	ASP	F	F	-2 - 208	7 - 217
2	38	ASP	ASP	I	I	-2 - 208	7 - 217
1	39	ASP	ASP	F	F	-2 - 207	7 - 216
2	39	ASP	ASP	J	J	-2 - 207	7 - 216
1	40	HIS	HIS	G	G	1 - 207	10 - 216
2	40	HIS	HIS	H	H	1 - 207	10 - 216
1	41	HIS	HIS	G	G	1 - 207	10 - 216
2	41	HIS	HIS	I	I	1 - 207	10 - 216
1	42	HIS	HIS	G	G	1 - 207	10 - 216
2	42	HIS	HIS	J	J	1 - 207	10 - 216
1	43	ASP	ASP	H	H	-2 - 207	7 - 216
2	43	ASP	ASP	I	I	-2 - 207	7 - 216
1	44	ASP	ASP	H	H	-3 - 208	6 - 217
2	44	ASP	ASP	J	J	-3 - 208	6 - 217
1	45	ASP	ASP	I	I	-2 - 207	7 - 216
2	45	ASP	ASP	J	J	-2 - 207	7 - 216

NCS ensembles :

#1: Protein	Soluble acetylcholine receptor Mass: 25967.832 Da / Num. of mol.: 10 / Fragment: UNP residues 18-236 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Aplysia californica (California sea hare) Plasmid: pCDNA 3.1 / Cell line (production host): HEK293S GnT1- / Production host: Homo sapiens (human) / References: UniProt: Q8WSF8
#2: Chemical	ChemComp-41J / Pinnatoxin G Mass: 693.952 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C₄₂H₆₃NO₇
#3: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Cl
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 928 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 3.18 Å³/Da / Density % sol: 61.3 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 8% (w/v) P4000, 0.1M Hepes pH 7.5, 0.2M MgCl2

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 1 / Wavelength: 1.07 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Mar 16, 2012
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.07 Å / Relative weight: 1
Reflection	Resolution: 2.2→34 Å / Num. all: 149555 / Num. obs: 149555 / % possible obs: 99.6 % / Redundancy: 3.8 % / R_sym value: 0.074 / Net I/σ(I): 9.8 / Num. measured all: 441534
Reflection shell	Resolution: 2.2→2.32 Å / Redundancy: 3.8 % / R_merge(I) obs: 0.466 / Mean I/σ(I) obs: 2.5 / % possible all: 99.6

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0103	refinement
MOSFLM		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2BYN

2byn

Resolution: 2.2→34 Å / Cor.coef. F_o:F_c: 0.948 / Cor.coef. F_o:F_c free: 0.941 / SU B: 10.517 / SU ML: 0.138 / Cross valid method: THROUGHOUT / ESU R: 0.23 / ESU R Free: 0.17 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.21135	7513	5 %	RANDOM
R_work	0.19907	-	-	-
obs	0.1997	142034	99.6 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 48.974 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.01 Å²	0 Å²	0.06 Å²
2-	-	-0.43 Å²	0 Å²
3-	-	-	0.16 Å²

Refinement step

Cycle: LAST / Resolution: 2.2→34 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16745	0	507	928	18180

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.009	0.02	17844
X-RAY DIFFRACTION	r_bond_other_d	0.007	0.02	16352
X-RAY DIFFRACTION	r_angle_refined_deg	1.586	1.989	24489
X-RAY DIFFRACTION	r_angle_other_deg	1.424	3	37790
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.431	5	2119
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	33.663	24.263	821
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.014	15	2809
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.849	15	106
X-RAY DIFFRACTION	r_chiral_restr	0.075	0.2	2766
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.021	19787
X-RAY DIFFRACTION	r_gen_planes_other	0.005	0.02	4047
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	1.047	2.602	8434
X-RAY DIFFRACTION	r_mcbond_other	1.047	2.602	8433
X-RAY DIFFRACTION	r_mcangle_it	1.885	3.894	10531
X-RAY DIFFRACTION	r_mcangle_other	1.885	3.894	10532
X-RAY DIFFRACTION	r_scbond_it	1.014	2.717	9406
X-RAY DIFFRACTION	r_scbond_other	1.014	2.717	9407
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	1.729	4.018	13944
X-RAY DIFFRACTION	r_long_range_B_refined	4.512	20.773	19715
X-RAY DIFFRACTION	r_long_range_B_other	4.432	20.56	19403
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	23818	0.07
1	2	B	23818	0.07
2	1	A	23582	0.07
2	2	C	23582	0.07
3	1	A	23518	0.07
3	2	D	23518	0.07
4	1	A	23830	0.06
4	2	E	23830	0.06
5	1	A	24168	0.05
5	2	F	24168	0.05
6	1	A	23580	0.08
6	2	G	23580	0.08
7	1	A	23656	0.07
7	2	H	23656	0.07
8	1	A	24014	0.06
8	2	I	24014	0.06
9	1	A	23860	0.06
9	2	J	23860	0.06
10	1	B	23434	0.07
10	2	C	23434	0.07
11	1	B	23588	0.08
11	2	D	23588	0.08
12	1	B	23886	0.08
12	2	E	23886	0.08
13	1	B	23910	0.07
13	2	F	23910	0.07
14	1	B	23844	0.07
14	2	G	23844	0.07
15	1	B	23776	0.08
15	2	H	23776	0.08
16	1	B	23962	0.08
16	2	I	23962	0.08
17	1	B	24136	0.07
17	2	J	24136	0.07
18	1	C	23288	0.09
18	2	D	23288	0.09
19	1	C	23644	0.07
19	2	E	23644	0.07
20	1	C	23638	0.07
20	2	F	23638	0.07
21	1	C	23490	0.07
21	2	G	23490	0.07
22	1	C	24028	0.05
22	2	H	24028	0.05
23	1	C	23516	0.08
23	2	I	23516	0.08
24	1	C	23744	0.07
24	2	J	23744	0.07
25	1	D	23440	0.08
25	2	E	23440	0.08
26	1	D	23510	0.07
26	2	F	23510	0.07
27	1	D	23418	0.09
27	2	G	23418	0.09
28	1	D	23106	0.09
28	2	H	23106	0.09
29	1	D	23846	0.06
29	2	I	23846	0.06
30	1	D	23444	0.08
30	2	J	23444	0.08
31	1	E	23752	0.07
31	2	F	23752	0.07
32	1	E	23720	0.07
32	2	G	23720	0.07
33	1	E	24132	0.07
33	2	H	24132	0.07
34	1	E	23834	0.08
34	2	I	23834	0.08
35	1	E	24590	0.05
35	2	J	24590	0.05
36	1	F	23620	0.08
36	2	G	23620	0.08
37	1	F	23886	0.08
37	2	H	23886	0.08
38	1	F	24050	0.07
38	2	I	24050	0.07
39	1	F	23902	0.07
39	2	J	23902	0.07
40	1	G	23494	0.08
40	2	H	23494	0.08
41	1	G	23616	0.08
41	2	I	23616	0.08
42	1	G	23890	0.06
42	2	J	23890	0.06
43	1	H	23788	0.08
43	2	I	23788	0.08
44	1	H	24256	0.06
44	2	J	24256	0.06
45	1	I	24038	0.08
45	2	J	24038	0.08

LS refinement shell

Resolution: 2.2→2.257 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.334	525	-
R_work	0.319	10438	-
obs	-	-	99.69 %

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	0.9259	-0.223	0.1697	1.507	-0.1336	0.7568	-0.0809	0.0059	0.0949	0.1324	-0.0067	-0.2338	-0.1212	0.0505	0.0876	0.0625	-0.0157	-0.0396	0.0686	0.0314	0.0558	69.9516	11.2647	21.6112
2	1.0828	0.0794	-0.2187	1.0283	-0.3964	1.3845	-0.0727	-0.0224	0.0711	0.0826	-0.0198	-0.0809	-0.1908	-0.0034	0.0925	0.1036	0.0213	-0.0326	0.0119	0.0091	0.0484	57.8186	31.0947	7.9479
3	0.4356	0.1882	0.0064	1.3439	0.0099	0.7317	-0.0521	-0.0182	0.0241	-0.2663	0.0513	0.161	-0.0308	-0.0767	0.0008	0.1072	0.033	-0.0371	0.0531	0.0273	0.0697	41.8135	20.4174	-10.4409
4	0.8063	-0.1608	0.1331	1.3705	-0.0295	1.2232	0.0664	0.0277	-0.0471	-0.3012	0.0399	0.1603	0.0741	-0.0519	-0.1063	0.1034	-0.0256	-0.0624	0.026	0.0253	0.0451	43.922	-6.2625	-9.1196
5	1.026	0.0533	0.1957	0.7086	0.0885	1.0728	0.0271	0.0225	-0.0906	0.0236	0.045	-0.0786	0.1399	0.0475	-0.0721	0.046	-0.0023	-0.0121	0.0319	0.0226	0.0568	62.2114	-11.7136	10.434
6	1.1989	0.1421	-0.2662	1.7122	-0.0508	0.9504	0.0488	0.0424	0.0207	-0.2953	0.0217	0.3293	0.0643	-0.0976	-0.0705	0.078	-0.0071	-0.0719	0.0607	0.0259	0.0788	64.0662	35.7472	-78.5374
7	0.6775	0.0206	0.3273	1.028	-0.0513	1.3942	-0.0243	-0.0662	0.0734	-0.0097	0.028	0.0858	-0.1573	-0.05	-0.0037	0.0598	-0.0162	0.0092	0.0389	0.0219	0.06	74.6735	56.2521	-65.5177
8	0.4839	-0.1543	-0.0111	1.0432	-0.2327	0.9262	0.0211	-0.0499	0.0394	0.1723	-0.0095	-0.1434	-0.0586	0.1512	-0.0116	0.065	-0.0523	-0.0142	0.0932	-0.0026	0.0661	91.1701	46.2036	-46.2793
9	0.606	0.3129	-0.0104	1.516	0.1096	1.0468	0.0377	-0.08	-0.1004	0.2502	-0.0282	-0.1963	0.1053	0.1228	-0.0095	0.0789	0.0593	-0.0223	0.1152	0.0312	0.0733	90.6034	19.5628	-47.8485
10	0.8253	0.0217	0.3698	0.9482	-0.1187	0.7884	-0.0092	-0.0468	-0.0515	-0.1809	0.0389	0.1049	0.1802	0.025	-0.0298	0.0985	0.0263	-0.0075	0.0302	0.0041	0.0708	73.5468	13.1532	-67.6133

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	-1 - 208
2	X-RAY DIFFRACTION	2	B	-4 - 208
3	X-RAY DIFFRACTION	3	C	0 - 208
4	X-RAY DIFFRACTION	4	D	2 - 208
5	X-RAY DIFFRACTION	5	E	-3 - 208
6	X-RAY DIFFRACTION	6	F	-2 - 208
7	X-RAY DIFFRACTION	7	G	1 - 208
8	X-RAY DIFFRACTION	8	H	-3 - 208
9	X-RAY DIFFRACTION	9	I	-2 - 208
10	X-RAY DIFFRACTION	10	J	-3 - 208

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