PDB-2fhg: Crystal Structure of Mycobacterial Tuberculosis Proteasome

ID or keywords:

Entry

Database: PDB / ID: 2fhg

Title

Crystal Structure of Mycobacterial Tuberculosis Proteasome

Components

20S proteasome, alpha and beta subunitsProteasome
proteasome, beta subunit

Keywords

HYDROLASE / multi-protein / multi-subunit complex /

protease /

proteasome

Function / homology

Function and homology information

symbiont-mediated perturbation of host defenses /

zymogen binding /

proteasome endopeptidase complex / proteasome core complex, beta-subunit complex / proteasome core complex, alpha-subunit complex / threonine-type endopeptidase activity / proteolysis involved in protein catabolic process / peptidoglycan-based cell wall / proteasomal protein catabolic process / modification-dependent protein catabolic process ...
Similarity search - Function

Biological species

Mycobacterium tuberculosis (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.23 Å

Authors

Hu, G. / Lin, G. / Wang, M. / Dick, L. / Xu, R.M. / Nathan, C. / Li, H.

Citation

Journal: Mol.Microbiol. / Year: 2006
Title: Structure of the Mycobacterium tuberculosis proteasome and mechanism of inhibition by a peptidyl boronate.
Authors: Hu, G. / Lin, G. / Wang, M. / Dick, L. / Xu, R.M. / Nathan, C. / Li, H.

History

Deposition	Dec 23, 2005	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 28, 2006	Provider: repository / Type: Initial release
Revision 1.1	May 1, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.3	Aug 30, 2023	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 / struct_ref_seq_dif 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.end_auth_comp_id / _struct_ref_seq_dif.details

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2fhg.cif.gz	985 KB	Display	PDBx/mmCIF format
PDB format	pdb2fhg.ent.gz	795.9 KB	Display	PDB format
PDBx/mmJSON format	2fhg.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/fh/2fhg ftp://data.pdbj.org/pub/pdb/validation_reports/fh/2fhg	HTTPS FTP

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Related structure data

Related structure data	2fhhC 1q5qS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	2fhh-d 5trs-d 6464 3h6f-d 3mi0-d 3mfe-d 4qws-d 3hfa-d 4591 3nzj-d 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	#166 - Oct 2013 Proteasome similarity (9) #80 - Aug 2006 AAA+ Proteases similarity (5) #60 - Dec 2004 Ubiquitin similarity (8) #176 - Aug 2014 Dynein similarity (5)

Deposited unit

A: 20S proteasome, alpha and beta subunits

H: proteasome, beta subunit

B: 20S proteasome, alpha and beta subunits

C: proteasome, beta subunit

D: 20S proteasome, alpha and beta subunits

E: proteasome, beta subunit

F: 20S proteasome, alpha and beta subunits

G: proteasome, beta subunit

I: 20S proteasome, alpha and beta subunits

J: proteasome, beta subunit

K: 20S proteasome, alpha and beta subunits

L: proteasome, beta subunit

M: 20S proteasome, alpha and beta subunits

N: proteasome, beta subunit

O: 20S proteasome, alpha and beta subunits

P: proteasome, beta subunit

Q: 20S proteasome, alpha and beta subunits

R: proteasome, beta subunit

S: 20S proteasome, alpha and beta subunits

T: proteasome, beta subunit

U: 20S proteasome, alpha and beta subunits

V: proteasome, beta subunit

W: 20S proteasome, alpha and beta subunits

X: proteasome, beta subunit

Y: 20S proteasome, alpha and beta subunits

Z: proteasome, beta subunit

1: 20S proteasome, alpha and beta subunits

2: proteasome, beta subunit

733 kDa, 28 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	173.327, 113.802, 200.133
Angle α, β, γ (deg.)	90.00, 113.93, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:
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	SER	SER	GLN	GLN	A	A	8 - 237	10 - 239
2	1	SER	SER	GLN	GLN	B	C	8 - 237	10 - 239
3	1	SER	SER	GLN	GLN	D	E	8 - 237	10 - 239
4	1	SER	SER	GLN	GLN	F	G	8 - 237	10 - 239
5	1	SER	SER	GLN	GLN	I	I	8 - 237	10 - 239
6	1	SER	SER	GLN	GLN	K	K	8 - 237	10 - 239
7	1	SER	SER	GLN	GLN	M	M	8 - 237	10 - 239
8	1	SER	SER	GLN	GLN	O	O	8 - 237	10 - 239
9	1	SER	SER	GLN	GLN	Q	Q	8 - 237	10 - 239
10	1	SER	SER	GLN	GLN	S	S	8 - 237	10 - 239
11	1	SER	SER	GLN	GLN	U	U	8 - 237	10 - 239
12	1	SER	SER	GLN	GLN	W	W	8 - 237	10 - 239
13	1	SER	SER	GLN	GLN	Y	Y	8 - 237	10 - 239
14	1	SER	SER	GLN	GLN	1	AA	8 - 237	10 - 239
1	2	THR	THR	SER	SER	H	B	301 - 522	1 - 222
2	2	THR	THR	SER	SER	C	D	301 - 522	1 - 222
3	2	THR	THR	SER	SER	E	F	301 - 522	1 - 222
4	2	THR	THR	SER	SER	G	H	301 - 522	1 - 222
5	2	THR	THR	SER	SER	J	J	301 - 522	1 - 222
6	2	THR	THR	SER	SER	L	L	301 - 522	1 - 222
7	2	THR	THR	SER	SER	N	N	301 - 522	1 - 222
8	2	THR	THR	SER	SER	P	P	301 - 522	1 - 222
9	2	THR	THR	SER	SER	R	R	301 - 522	1 - 222
10	2	THR	THR	SER	SER	T	T	301 - 522	1 - 222
11	2	THR	THR	SER	SER	V	V	301 - 522	1 - 222
12	2	THR	THR	SER	SER	X	X	301 - 522	1 - 222
13	2	THR	THR	SER	SER	Z	Z	301 - 522	1 - 222
14	2	THR	THR	SER	SER	2	BA	301 - 522	1 - 222

NCS ensembles :

ID
1
2

#1: Protein	20S proteasome, alpha and beta subunits / Proteasome Mass: 27112.221 Da / Num. of mol.: 14 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium tuberculosis (bacteria) / Gene: PrcA / Plasmid: prcA-prcB-His6 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: GenBank: 76783992, UniProt: P9WHU1*PLUS
#2: Protein	proteasome, beta subunit / Mass: 25274.264 Da / Num. of mol.: 14 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium tuberculosis (bacteria) / Gene: PrcB / Plasmid: pACYCDuet / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: GenBank: 13881852, UniProt: P9WHT9*PLUS
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 226 / 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: 2.51 Å³/Da / Density % sol: 50.97 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5.7 Details: 8% PEG 6000, 50 mM sodium citrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 77 K
Diffraction source	Source: SYNCHROTRON / Site: NSLS / Beamline: X25 / Wavelength: 1 Å
Detector	Type: ADSC QUANTUM 4 / Detector: CCD / Date: Feb 1, 2005
Radiation	Monochromator: crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 3.2→50 Å / Num. all: 86867 / Num. obs: 91407 / % possible obs: 80.3 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / R_merge(I) obs: 0.058 / Net I/σ(I): 21.9
Reflection shell	Resolution: 3.2→3.31 Å / % possible all: 0.544

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0005	refinement
CBASS		data collection
SCALEPACK		data scaling
CNS		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB entry 1Q5Q

1q5q

Resolution: 3.23→50 Å / Cor.coef. F_o:F_c: 0.914 / Cor.coef. F_o:F_c free: 0.892 / SU B: 83.377 / SU ML: 0.578 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 2 / ESU R Free: 0.692 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.26611	4537	5 %	RANDOM
R_work	0.24337	-	-	-
all	0.244	91407	-	-
obs	0.24448	86867	79.58 %	-

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: 99.863 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	2.58 Å²	0 Å²	0.4 Å²
2-	-	2.13 Å²	0 Å²
3-	-	-	-4.38 Å²

Refinement step

Cycle: LAST / Resolution: 3.23→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	46620	0	0	226	46846

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.01	0.022	47334
X-RAY DIFFRACTION	r_angle_refined_deg	1.161	1.969	64092
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.555	5	6146
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	38.506	23.046	2114
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	17.57	15	7672
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	20.527	15	476
X-RAY DIFFRACTION	r_chiral_restr	0.07	0.2	7294
X-RAY DIFFRACTION	r_gen_planes_refined	0.003	0.02	36218
X-RAY DIFFRACTION	r_nbd_refined	0.253	0.2	24120
X-RAY DIFFRACTION	r_nbtor_refined	0.308	0.2	33337
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.158	0.2	1882
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.599	0.2	256
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.556	0.2	15
X-RAY DIFFRACTION	r_mcbond_it	0	1.5	31138
X-RAY DIFFRACTION	r_mcangle_it	0	2	48510
X-RAY DIFFRACTION	r_scbond_it	0	3	17897
X-RAY DIFFRACTION	r_scangle_it	0	4.5	15582

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	1693	tight positional	0.04	0.05
1	2	H	1693	tight positional	0.03	0.05
1	3	C	1693	tight positional	0.03	0.05
1	4	E	1693	tight positional	0.03	0.05
1	5	I	1693	tight positional	0.03	0.05
1	6	K	1693	tight positional	0.02	0.05
1	7	M	1693	tight positional	0.03	0.05
1	8	O	1693	tight positional	0.02	0.05
1	9	Q	1693	tight positional	0.02	0.05
1	10	S	1693	tight positional	0.02	0.05
1	11	U	1693	tight positional	0.02	0.05
1	12	W	1693	tight positional	0.03	0.05
1	13	Y	1693	tight positional	0.03	0.05
1	14	1	1693	tight positional	0.02	0.05
2	1	G	1639	tight positional	0.04	0.05
2	2	B	1639	tight positional	0.03	0.05
2	3	D	1639	tight positional	0.04	0.05
2	4	F	1639	tight positional	0.03	0.05
2	5	J	1639	tight positional	0.03	0.05
2	6	L	1639	tight positional	0.04	0.05
2	7	N	1639	tight positional	0.03	0.05
2	8	P	1639	tight positional	0.03	0.05
2	9	R	1639	tight positional	0.03	0.05
2	10	T	1639	tight positional	0.03	0.05
2	11	V	1639	tight positional	0.03	0.05
2	12	X	1639	tight positional	0.03	0.05
2	13	Z	1639	tight positional	0.03	0.05
2	14	2	1639	tight positional	0.03	0.05
1	1	A	1693	tight thermal	0	0.5
1	2	H	1693	tight thermal	0	0.5
1	3	C	1693	tight thermal	0	0.5
1	4	E	1693	tight thermal	0	0.5
1	5	I	1693	tight thermal	0	0.5
1	6	K	1693	tight thermal	0	0.5
1	7	M	1693	tight thermal	0	0.5
1	8	O	1693	tight thermal	0	0.5
1	9	Q	1693	tight thermal	0	0.5
1	10	S	1693	tight thermal	0	0.5
1	11	U	1693	tight thermal	0	0.5
1	12	W	1693	tight thermal	0	0.5
1	13	Y	1693	tight thermal	0	0.5
1	14	1	1693	tight thermal	0	0.5
2	1	G	1639	tight thermal	0	0.5
2	2	B	1639	tight thermal	0	0.5
2	3	D	1639	tight thermal	0	0.5
2	4	F	1639	tight thermal	0	0.5
2	5	J	1639	tight thermal	0	0.5
2	6	L	1639	tight thermal	0	0.5
2	7	N	1639	tight thermal	0	0.5
2	8	P	1639	tight thermal	0	0.5
2	9	R	1639	tight thermal	0	0.5
2	10	T	1639	tight thermal	0	0.5
2	11	V	1639	tight thermal	0	0.5
2	12	X	1639	tight thermal	0	0.5
2	13	Z	1639	tight thermal	0	0.5
2	14	2	1639	tight thermal	0	0.5

LS refinement shell

Resolution: 3.227→3.311 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.44	206	-
R_work	0.41	3727	-
obs	-	-	46.79 %

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	3.7322	0.439	0.4652	3.2732	0.7897	4.5558	0.0707	-0.7041	0.1039	0.4999	-0.2246	0.2696	-0.3328	-0.0479	0.1539	-0.5923	-0.1093	0.1091	-0.1483	-0.224	-0.3284	45.0597	5.3423	16.1705
2	3.6225	0.014	0.0321	3.6868	-0.8833	3.7859	0.1224	-0.9998	-0.3964	0.9735	-0.1843	0.2747	0.2567	-0.1812	0.062	-0.1459	-0.1931	0.2078	-0.0594	-0.0817	-0.1861	39.8478	-26.0386	16.6348
3	1.746	0.296	-0.2669	2.9102	-0.8853	3.4479	-0.0066	0.3311	-0.272	0.0006	0.0299	-0.7461	0.3704	0.9879	-0.0232	-0.2148	0.3225	0.2504	0.6836	0.0463	-0.2458	128.0714	-34.139	-55.6201
4	2.7796	0.0079	0.0941	3.7137	-0.677	4.4386	-0.0202	0.9683	0.4698	-1.2406	-0.093	-0.2144	-0.8456	0.6157	0.1131	0.6663	-0.2713	-0.0251	-0.1349	0.0792	-0.4225	92.4191	5.2628	-103.902
5	3.0028	-0.129	0.6857	4.3525	-0.0788	3.3612	0.0308	-0.752	-0.5687	0.4187	0.0722	0.8055	0.6512	-0.8523	-0.103	-0.3809	-0.2836	0.2206	0.2366	0.0037	0.2123	21.0369	-43.4431	-2.5208
6	2.5968	0.2014	-0.3803	2.6365	0.1352	3.0333	0.0828	0.0087	0.1762	-0.1633	-0.3918	-0.9792	-0.3964	1.3899	0.309	-0.0114	-0.2224	0.0788	1.2188	0.4038	-0.0941	129.1161	-2.1211	-59.5704
7	2.8791	-0.301	-0.0815	3.96	0.3594	3.0527	0.0529	0.0002	0.33	-0.2624	0.0453	-0.5064	-0.4094	0.9275	-0.0983	-0.0093	-0.3174	0.2729	0.2461	-0.0069	-0.3512	112.7271	14.9098	-81.0429
8	2.7307	0.9892	-0.656	3.457	-0.8323	4.0929	0.2795	-0.4194	0.7645	0.5716	-0.0766	0.7733	-1.6697	-0.5771	-0.2029	0.4511	0.3431	0.1402	-0.0453	-0.3093	0.1532	32.3226	27.874	-3.3059
9	4.2366	-0.8854	0.1317	5.0296	-0.6793	1.5122	-0.3445	0.0195	-1.0486	-0.5353	0.0554	-0.6316	0.7788	0.8073	0.2892	0.3549	0.5382	0.3763	0.162	0.0393	-0.1213	110.1205	-56.4412	-70.8886
10	3.8401	-0.3313	-0.0789	4.2198	0.7015	4.3489	0.016	-0.3722	-0.474	0.1983	-0.3117	1.0437	0.5904	-1.1135	0.2956	-0.4559	-0.1511	-0.0127	0.2968	-0.2068	0.4111	1.7248	-33.7308	-26.2666
11	3.0786	0.1754	-0.8205	2.8888	0.7366	3.7657	0.0681	-0.0004	0.4567	0.0808	-0.1079	0.7669	-0.974	-1.0323	0.0399	-0.0142	0.4821	-0.1281	0.1339	-0.2433	0.398	11.0039	23.4022	-27.2207
12	5.411	-0.266	-0.6978	2.6664	0.0441	5.414	-0.304	0.9739	-0.5893	-0.9271	-0.0119	-0.0556	0.5022	0.3051	0.3159	0.3207	-0.0958	-0.0118	-0.363	-0.1154	-0.3479	82.3348	-24.2829	-110.2317
13	4.3898	-0.9263	0.8901	3.8155	0.596	3.4403	0.1112	1.5147	-0.9955	-0.8594	-0.1392	0.0432	0.8701	0.4563	0.028	0.7084	0.4255	0.1292	0.0373	-0.1797	-0.2171	89.6207	-52.4231	-95.2727
14	2.4398	-0.3822	0.111	3.005	0.2083	3.224	-0.0944	0.0963	0.1166	-0.089	0.038	0.917	-0.078	-1.0708	0.0565	-0.29	0.216	-0.2765	0.4088	-0.2665	0.6908	-2.6913	-3.7392	-37.5613
15	5.44	1.2032	-3.268	2.5935	-1.1056	3.4783	0.1302	-0.545	0.1961	-0.1788	0.008	0.3115	0.0479	0.565	-0.1383	-0.6366	-0.0166	0.0469	-0.1357	-0.2101	-0.5806	76.7111	-6.5486	-5.1834
16	6.7611	0.9104	-1.6844	1.3908	0.4283	1.3871	-0.1534	-0.8352	-0.1603	-0.0997	-0.099	0.3168	0.3861	0.3599	0.2524	-0.3819	0.1536	0.1462	-0.2295	0.1229	-0.5055	66.6877	-38.5852	-10.3619
17	5.0808	1.9628	-1.937	3.498	-1.9849	4.9546	-0.1643	-0.0782	0.1268	-0.3683	0.0677	0.0088	0.1817	0.8274	0.0965	-0.6302	0.3023	0.1047	0.0697	-0.0188	-0.6172	102.3903	-22.5107	-26.7168
18	1.8792	-2.2863	-2.3705	3.5248	2.9638	4.267	0.3543	0.3528	-0.1418	-1.0745	-0.6286	0.3644	-1.1858	-0.5491	0.2743	0.214	0.318	-0.4687	-0.4661	-0.1044	-0.2613	58.2935	5.5109	-83.6473
19	6.4167	-1.1275	-1.9089	2.2365	0.2636	1.7558	-0.1359	-0.2173	-0.2493	-0.2378	-0.1535	0.3811	0.4474	-0.2286	0.2894	-0.119	-0.0398	0.0678	-0.5637	-0.0487	-0.2744	44.5641	-50.9943	-33.3475
20	2.1312	-0.2248	-1.8948	0.8255	-0.0685	4.6898	0.1152	-0.0562	0.2254	-0.3041	-0.1177	-0.0523	-0.6047	0.9713	0.0025	-0.2777	-0.3504	0.0406	0.0885	-0.0382	-0.4478	98.8807	10.1623	-36.9444
21	2.2626	-0.1175	-2.3528	2.2232	2.1299	6.01	0.1087	0.0628	0.1799	-0.3072	-0.0235	0.0991	-0.6986	0.2738	-0.0852	0.0084	-0.1292	-0.067	-0.6289	0.0312	-0.3749	79.2035	22.3067	-62.4939
22	2.5975	1.2406	-2.9601	2.6893	-1.3251	4.7429	0.0888	-0.4844	0.1219	-0.0383	-0.1014	0.2511	-0.6774	0.113	0.0126	-0.1118	-0.1141	-0.09	-0.4181	-0.1346	-0.3708	67.0264	21.785	-22.0074
23	6.3013	0.629	-1.7391	2.0125	-0.0987	1.7905	-0.2011	0.0234	-0.1102	-0.2347	-0.0716	-0.0605	0.4967	0.6137	0.2727	-0.1486	0.3834	0.1843	-0.3392	0.0907	-0.4206	86.716	-50.4391	-39.1922
24	3.0592	-1.8188	-1.629	2.5206	0.3861	2.172	-0.1538	-0.0089	0.1563	-0.1212	-0.0323	0.2904	0.2796	-0.7381	0.1861	-0.215	-0.1297	-0.2069	-0.2544	-0.162	-0.0919	26.6982	-34.2797	-57.6713
25	2.2349	-0.4318	-2.0566	1.5825	0.7047	6.6092	0.4363	0.0881	0.1698	-0.1358	-0.2191	0.3933	-0.6043	-0.4081	-0.2172	0.0393	0.2016	-0.2768	-0.6107	-0.088	-0.1709	44.9715	24.3257	-48.1913
26	5.0175	-1.7315	-1.0779	2.1399	1.2091	2.1125	-0.3244	0.2797	0.2101	-0.5627	0.088	0.1285	0.2022	-0.2199	0.2363	-0.0038	-0.2285	-0.287	-0.5688	0.0453	-0.3269	51.4553	-27.9636	-84.8525
27	7.6145	-0.26	-1.329	1.5413	0.0172	1.2781	-0.2484	0.0934	-0.1527	-0.3241	-0.0869	-0.0348	0.5867	-0.0507	0.3354	0.2416	0.083	0.0474	-0.6681	-0.1101	-0.4348	63.8944	-53.1195	-64.8715
28	2.2768	-0.1377	-2.2315	0.4399	1.0431	4.0979	0.1775	0.262	-0.0375	-0.2885	-0.1389	0.7858	-0.4498	-0.7281	-0.0387	-0.0285	0.3671	-0.649	-0.0019	-0.2809	0.3184	27.1847	-0.3028	-64.0798

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	X-RAY DIFFRACTION	1	A	A	8 - 237	10 - 239
2	X-RAY DIFFRACTION	2	B	C	8 - 237	10 - 239
3	X-RAY DIFFRACTION	3	D	E	8 - 237	10 - 239
4	X-RAY DIFFRACTION	4	F	G	8 - 237	10 - 239
5	X-RAY DIFFRACTION	5	I	I	8 - 237	10 - 239
6	X-RAY DIFFRACTION	6	K	K	8 - 237	10 - 239
7	X-RAY DIFFRACTION	7	M	M	8 - 237	10 - 239
8	X-RAY DIFFRACTION	8	O	O	8 - 237	10 - 239
9	X-RAY DIFFRACTION	9	Q	Q	8 - 237	10 - 239
10	X-RAY DIFFRACTION	10	S	S	8 - 237	10 - 239
11	X-RAY DIFFRACTION	11	U	U	8 - 237	10 - 239
12	X-RAY DIFFRACTION	12	W	W	8 - 237	10 - 239
13	X-RAY DIFFRACTION	13	Y	Y	8 - 237	10 - 239
14	X-RAY DIFFRACTION	14	1	AA	8 - 237	10 - 239
15	X-RAY DIFFRACTION	15	H	B	301 - 522	1 - 222
16	X-RAY DIFFRACTION	16	C	D	301 - 522	1 - 222
17	X-RAY DIFFRACTION	17	E	F	301 - 522	1 - 222
18	X-RAY DIFFRACTION	18	G	H	301 - 522	1 - 222
19	X-RAY DIFFRACTION	19	J	J	301 - 522	1 - 222
20	X-RAY DIFFRACTION	20	L	L	301 - 522	1 - 222
21	X-RAY DIFFRACTION	21	N	N	301 - 522	1 - 222
22	X-RAY DIFFRACTION	22	P	P	301 - 522	1 - 222
23	X-RAY DIFFRACTION	23	R	R	301 - 522	1 - 222
24	X-RAY DIFFRACTION	24	T	T	301 - 522	1 - 222
25	X-RAY DIFFRACTION	25	V	V	301 - 522	1 - 222
26	X-RAY DIFFRACTION	26	X	X	301 - 522	1 - 222
27	X-RAY DIFFRACTION	27	Z	Z	301 - 522	1 - 222
28	X-RAY DIFFRACTION	28	2	BA	301 - 522	1 - 222

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