PDB-6nbg: 2.05 Angstrom Resolution Crystal Structure of Hypothetical Protei...

ID or keywords:

Entry

Database: PDB / ID: 6nbg

Title

2.05 Angstrom Resolution Crystal Structure of Hypothetical Protein KP1_5497 from Klebsiella pneumoniae.

Components

Glucosamine-6-phosphate deaminase

Keywords

UNKNOWN FUNCTION / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID / Hypothetical Protein

Function / homology

Function and homology information

glucosamine-6-phosphate deaminase / glucosamine-6-phosphate deaminase activity / N-acetylglucosamine metabolic process / carbohydrate metabolic process
Similarity search - Function

Biological species

Klebsiella pneumoniae (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.05 Å

Authors

Minasov, G. / Shuvalova, L. / Kiryukhina, O. / Dubrovska, I. / Satchell, K.J.F. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)

Citation

Journal: Microbiol Resour Announc / Year: 2023
Title: A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Authors: Inniss, N.L. / Kochan, T.J. / Minasov, G. / Wawrzak, Z. / Chang, C. / Tan, K. / Shuvalova, L. / Kiryukhina, O. / Pshenychnyi, S. / Wu, R. / Dubrovska, I. / Babnigg, G. / Endres, M. / ...

History

Deposition	Dec 7, 2018	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 19, 2018	Provider: repository / Type: Initial release
Revision 1.1	Jun 14, 2023	Group: Database references / Refinement description Category: citation / citation_author ...citation / citation_author / database_2 / struct_ncs_dom_lim Item: _citation.journal_abbrev / _citation.journal_id_CSD ..._citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _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 1.2	Oct 9, 2024	Group: Data collection / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	6nbg.cif.gz	577.7 KB	Display	PDBx/mmCIF format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/nb/6nbg ftp://data.pdbj.org/pub/pdb/validation_reports/nb/6nbg	HTTPS FTP

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Related structure data

Related structure data	6dt3C 6duxC 6dvvC 6dxnC 6e85C 6nauC 6ndiC 6wn5C 6wn8C 6x1lC 7rjjC 7tl5C 7tzpC C: citing same article (ref.)
Similar structure data	1o58-d 1e14-d 1t86-d 11995 1dv3-1 2v2g-d 6gsz-d 7cim-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
Other databases	TargetTrack: CSGID-IDP96925

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Glucosamine-6-phosphate deaminase

B: Glucosamine-6-phosphate deaminase

C: Glucosamine-6-phosphate deaminase

D: Glucosamine-6-phosphate deaminase

E: Glucosamine-6-phosphate deaminase

F: Glucosamine-6-phosphate deaminase

hetero molecules

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

1

A: Glucosamine-6-phosphate deaminase

B: Glucosamine-6-phosphate deaminase

C: Glucosamine-6-phosphate deaminase

E: Glucosamine-6-phosphate deaminase

hetero molecules

defined by author&software
107 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

D: Glucosamine-6-phosphate deaminase

F: Glucosamine-6-phosphate deaminase

hetero molecules

D: Glucosamine-6-phosphate deaminase

F: Glucosamine-6-phosphate deaminase

hetero molecules

defined by author&software
108 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	75.482, 123.806, 299.664
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	20
Space group name H-M	C222₁

Components on special symmetry positions

ID	Model	Components
1	1	D-541- 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	ASN	ASN	GLN	GLN	A	A	-1 - 238	2 - 241
2	1	ASN	ASN	GLN	GLN	B	B	-1 - 238	2 - 241
1	2	ASN	ASN	LEU	LEU	A	A	-1 - 237	2 - 240
2	2	ASN	ASN	LEU	LEU	C	C	-1 - 237	2 - 240
1	3	ALA	ALA	LEU	LEU	A	A	0 - 237	3 - 240
2	3	ALA	ALA	LEU	LEU	D	D	0 - 237	3 - 240
1	4	ASN	ASN	LEU	LEU	A	A	-1 - 237	2 - 240
2	4	ASN	ASN	LEU	LEU	E	E	-1 - 237	2 - 240
1	5	ALA	ALA	GLN	GLN	A	A	0 - 238	3 - 241
2	5	ALA	ALA	GLN	GLN	F	F	0 - 238	3 - 241
1	6	ASN	ASN	LEU	LEU	B	B	-1 - 237	2 - 240
2	6	ASN	ASN	LEU	LEU	C	C	-1 - 237	2 - 240
1	7	ALA	ALA	LEU	LEU	B	B	0 - 237	3 - 240
2	7	ALA	ALA	LEU	LEU	D	D	0 - 237	3 - 240
1	8	ASN	ASN	LEU	LEU	B	B	-1 - 237	2 - 240
2	8	ASN	ASN	LEU	LEU	E	E	-1 - 237	2 - 240
1	9	ALA	ALA	GLN	GLN	B	B	0 - 238	3 - 241
2	9	ALA	ALA	GLN	GLN	F	F	0 - 238	3 - 241
1	10	ALA	ALA	LEU	LEU	C	C	0 - 237	3 - 240
2	10	ALA	ALA	LEU	LEU	D	D	0 - 237	3 - 240
1	11	ASN	ASN	GLN	GLN	C	C	-1 - 238	2 - 241
2	11	ASN	ASN	GLN	GLN	E	E	-1 - 238	2 - 241
1	12	ALA	ALA	LEU	LEU	C	C	0 - 237	3 - 240
2	12	ALA	ALA	LEU	LEU	F	F	0 - 237	3 - 240
1	13	ALA	ALA	LEU	LEU	D	D	0 - 237	3 - 240
2	13	ALA	ALA	LEU	LEU	E	E	0 - 237	3 - 240
1	14	ALA	ALA	LEU	LEU	D	D	0 - 237	3 - 240
2	14	ALA	ALA	LEU	LEU	F	F	0 - 237	3 - 240
1	15	ALA	ALA	LEU	LEU	E	E	0 - 237	3 - 240
2	15	ALA	ALA	LEU	LEU	F	F	0 - 237	3 - 240

NCS ensembles :

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

#1: Protein	Glucosamine-6-phosphate deaminase Mass: 26748.199 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Klebsiella pneumoniae (bacteria) / Gene: nagB_2, DM059_30720, SAMEA4364603_04465 / Plasmid: pMCSG68 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) magic References: UniProt: A0A332QZQ2, glucosamine-6-phosphate deaminase
#2: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: PO₄
#3: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 763 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.18 Å³/Da / Density % sol: 43.61 %
Crystal grow	Temperature: 292 K / Method: vapor diffusion, sitting drop Details: Protein: 8.0 mg/ml, 0.5M Sodium chloride, 0.01M Tris-HCl pH 8.3; Screen: Classics II (D7), 0.1M Bis-Tris pH 6.5, 25% (w/v) PEG3350;

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-E / Wavelength: 0.97872 Å
Detector	Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Apr 11, 2018 / Details: C(111)
Radiation	Monochromator: Be / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97872 Å / Relative weight: 1
Reflection	Resolution: 2.05→30 Å / Num. obs: 87989 / % possible obs: 99.8 % / Observed criterion σ(I): -3 / Redundancy: 5.5 % / B_iso Wilson estimate: 31.6 Å² / R_merge(I) obs: 0.095 / R_pim(I) all: 0.044 / R_rim(I) all: 0.105 / R_sym value: 0.095 / Χ²: 1.477 / Net I/σ(I): 20.5
Reflection shell	Resolution: 2.05→2.09 Å / Redundancy: 5.5 % / R_merge(I) obs: 0.832 / Mean I/σ(I) obs: 2 / Num. unique obs: 4325 / CC_1/2: 0.676 / R_pim(I) all: 0.393 / R_rim(I) all: 0.922 / R_sym value: 0.832 / Χ²: 1.002 / % possible all: 100

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0238	refinement
HKL-3000		data reduction
HKL-3000		data scaling
HKL-3000		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.05→29.62 Å / Cor.coef. F_o:F_c: 0.959 / Cor.coef. F_o:F_c free: 0.946 / SU B: 10.822 / SU ML: 0.148 / Cross valid method: THROUGHOUT / ESU R: 0.242 / ESU R Free: 0.182 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.23131	4491	5.1 %	RANDOM
R_work	0.20075	-	-	-
obs	0.20229	83398	99.52 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 41.545 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.53 Å²	0 Å²	0 Å²
2-	-	1.09 Å²	0 Å²
3-	-	-	0.44 Å²

Refinement step

Cycle: 1 / Resolution: 2.05→29.62 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11006	0	41	763	11810

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.006	0.013	11299
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.017	10607
X-RAY DIFFRACTION	r_angle_refined_deg	1.469	1.644	15337
X-RAY DIFFRACTION	r_angle_other_deg	0.377	1.567	24595
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	2.998	5	1446
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	28.37	22.818	543
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	8.68	15	1737
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	12.282	15	60
X-RAY DIFFRACTION	r_chiral_restr	0.067	0.2	1495
X-RAY DIFFRACTION	r_gen_planes_refined	0.054	0.02	12690
X-RAY DIFFRACTION	r_gen_planes_other	0.052	0.02	2190
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	1.54	2.332	5787
X-RAY DIFFRACTION	r_mcbond_other	1.54	2.332	5786
X-RAY DIFFRACTION	r_mcangle_it	2.383	3.488	7232
X-RAY DIFFRACTION	r_mcangle_other	2.382	3.488	7233
X-RAY DIFFRACTION	r_scbond_it	1.98	2.557	5512
X-RAY DIFFRACTION	r_scbond_other	1.92	2.528	5473
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	2.953	3.704	8050
X-RAY DIFFRACTION	r_long_range_B_refined	6.354	29.763	12559
X-RAY DIFFRACTION	r_long_range_B_other	6.245	29.378	12401
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	7676	0.07
1	2	B	7676	0.07
2	1	A	7545	0.09
2	2	C	7545	0.09
3	1	A	7556	0.07
3	2	D	7556	0.07
4	1	A	7563	0.08
4	2	E	7563	0.08
5	1	A	7407	0.1
5	2	F	7407	0.1
6	1	B	7622	0.09
6	2	C	7622	0.09
7	1	B	7606	0.06
7	2	D	7606	0.06
8	1	B	7659	0.07
8	2	E	7659	0.07
9	1	B	7435	0.1
9	2	F	7435	0.1
10	1	C	7430	0.09
10	2	D	7430	0.09
11	1	C	7504	0.09
11	2	E	7504	0.09
12	1	C	7324	0.11
12	2	F	7324	0.11
13	1	D	7501	0.08
13	2	E	7501	0.08
14	1	D	7315	0.11
14	2	F	7315	0.11
15	1	E	7351	0.11
15	2	F	7351	0.11

LS refinement shell

Resolution: 2.05→2.103 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.321	376	-
R_work	0.297	5835	-
obs	-	-	96.32 %

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	2.8635	0.4325	0.4524	0.4531	-0.2187	2.6162	-0.0259	-0.0796	-0.1811	-0.0467	-0.0205	-0.0055	0.2619	0.0246	0.0464	0.1669	-0.0118	0.0677	0.0165	-0.0294	0.1092	-9.8681	-14.7452	53.6832
2	2.2995	-0.1107	-0.8879	0.6716	-0.2795	1.5036	-0.1044	-0.4807	0.0306	0.025	0.0692	-0.0373	0.02	0.1287	0.0352	0.118	-0.0021	0.0368	0.1592	-0.0661	0.0629	-14.8514	-9.0939	67.9161
3	0.4332	0.6372	-1.1086	0.9835	-1.9091	4.5189	-0.0331	0.0817	0.1281	-0.0532	0.1588	0.1536	0.1189	-0.4436	-0.1256	0.0329	-0.025	0.0275	0.1438	-0.0889	0.152	-32.1811	-9.081	62.0038
4	0.7684	0.0592	-0.2315	0.7152	-0.5822	1.5356	-0.0104	0.0099	0.0772	-0.1353	-0.0263	0.1126	-0.0758	-0.2094	0.0367	0.1488	-0.0095	0.0235	0.0971	-0.0702	0.1107	-24.6001	-7.9498	49.7679
5	1.981	-0.3712	-1.2568	0.6189	0.6742	1.3068	-0.0822	0.3295	-0.0696	0.0458	-0.0504	0.0279	0.1531	-0.1081	0.1326	0.2104	-0.003	0.0398	0.1236	0.0087	0.1087	6.8246	-15.3171	41.8616
6	5.6921	1.825	-0.8236	3.7082	1.9463	1.9343	0.0011	0.8765	0.222	-0.3398	0.046	0.1117	-0.078	-0.3377	-0.0471	0.1847	0.0384	-0.0032	0.29	0.1281	0.0782	8.677	-5.8286	30.1581
7	0.4798	-0.1561	-0.9211	0.5827	0.794	2.236	0.0361	-0.0304	0.0942	0.0264	0.1242	-0.0397	-0.0244	0.2014	-0.1603	0.1898	0.0341	0.0424	0.2212	0.0818	0.1599	23.8898	-9.4997	39.2201
8	1.108	-0.126	-0.377	0.8252	0.3644	1.9004	0.0372	-0.0688	0.0994	0.0674	-0.0065	-0.0374	-0.0306	0.2422	-0.0307	0.0966	0.0089	0.0422	0.0609	0.0312	0.061	19.2249	-7.9687	50.813
9	3.7612	0.6813	-0.3032	1.7949	-0.3008	0.8427	-0.1113	0.7562	0.0953	-0.33	0.1126	0.0715	-0.2178	-0.126	-0.0013	0.3498	0.0272	0.0254	0.162	0.0214	0.0142	-14.0082	19.6346	38.3131
10	3.929	-1.7057	0.98	4.4415	-3.2737	4.8604	-0.1132	0.6436	0.1609	-0.3981	0.255	0.6329	-0.2579	-0.3818	-0.1418	0.3843	0.0536	-0.1944	0.3701	0.0164	0.248	-33.2465	18.0334	32.6016
11	1.6696	0.5962	-0.2692	1.8211	-0.4155	1.6752	0.0254	0.2486	-0.1635	-0.0704	-0.0297	0.2836	-0.2485	-0.3761	0.0043	0.3248	0.0835	0.0118	0.1515	-0.0359	0.1172	-25.1009	13.8643	48.2647
12	6.5436	-3.9148	-0.3314	3.661	0.6296	0.9406	-0.2358	-0.3136	0.1098	0.308	0.2764	0.0351	-0.2138	0.0032	-0.0406	0.2941	0.0821	0.0312	0.0496	-0.0075	0.0258	-21.5529	22.1562	56.8349
13	2.2285	0.8538	-0.6586	1.2642	-0.298	2.1705	-0.2549	-0.0043	-0.2079	-0.2176	0.1684	-0.0941	0.2809	0.0421	0.0865	0.1713	-0.0382	0.0526	0.0407	-0.0106	0.0292	-17.7058	-17.2945	12.64
14	6.3053	-1.77	-2.1521	1.9979	-0.4952	1.5459	0.0461	-0.1794	0.5627	-0.0344	0.2062	-0.087	-0.0296	-0.0497	-0.2522	0.1385	-0.0529	0.0097	0.0833	0.0183	0.1099	-20.4043	-3.1203	14.2087
15	0.8259	0.2147	-0.4139	1.1035	-1.1699	2.091	-0.1024	0.2559	0.0961	-0.1817	0.1728	0.1821	0.1651	-0.4849	-0.0704	0.1732	-0.0847	0.0027	0.235	0.0263	0.1056	-33.2173	-11.2048	6.8791
16	4.4495	-0.6078	-0.3934	7.4627	-2.4886	9.5216	0.3688	0.8385	-0.4111	-1.5377	-0.2866	0.3596	0.504	-0.0466	-0.0821	0.551	-0.0502	-0.0559	0.3387	-0.0804	0.1872	-30.0264	-22.0222	-9.0191
17	2.6471	0.229	-0.1331	0.0997	0.2928	1.1992	0.0033	-0.2322	0.1375	-0.0724	0.0058	0.0041	-0.2715	0.0594	-0.0091	0.4033	-0.0335	0.0682	0.0522	-0.0292	0.0684	3.8562	23.3571	52.1478
18	3.2226	0.915	1.0655	1.9318	-0.0995	2.2261	-0.0152	-1.0724	-0.0883	0.2446	-0.0598	-0.0901	-0.2993	-0.2304	0.075	0.3881	0.0032	0.0613	0.4119	0.0252	0.0304	9.6907	18.9604	67.0041
19	0.6965	0.0095	0.2724	1.8199	0.8345	0.5041	0.0655	-0.1464	-0.0279	0.0537	0.0488	-0.1927	-0.019	0.0031	-0.1143	0.3055	-0.1107	0.0597	0.1615	0.0066	0.125	23.2571	17.8163	58.3003
20	3.0454	0.3745	-0.0607	1.2874	-0.2108	0.9762	0.035	0.0353	-0.1183	-0.211	-0.0489	-0.2053	-0.2094	0.2231	0.0139	0.2767	-0.0722	0.0941	0.0569	-0.0131	0.0921	19.415	15.2336	44.2385
21	4.2522	-1.6195	3.3887	1.7457	-2.0068	4.4791	-1.1062	-1.4795	0.7046	0.6061	0.4784	-0.4161	-1.1324	-1.2945	0.6279	0.4764	0.2741	-0.202	0.734	-0.271	0.1508	3.0473	17.3985	9.0027
22	1.3308	1.6407	3.0302	8.3224	1.7887	7.5582	-0.0222	0.1277	-0.0568	0.4969	-0.1715	-1.2894	-0.085	0.3035	0.1936	0.1845	-0.0567	-0.1734	0.2663	0.0595	0.3108	22.4128	9.8481	13.1937
23	6.2789	5.5497	-1.7072	12.9836	8.5506	12.9921	0.9303	0.5868	0.5204	0.3286	-0.3259	0.0773	-0.8796	-1.2154	-0.6043	0.2843	0.1645	-0.0323	0.2844	0.0539	0.213	22.1207	25.899	15.3061
24	2.2053	-0.5672	3.0068	1.1312	-1.1883	5.5233	-0.3894	-0.0458	0.2932	0.0692	-0.1136	-0.3152	-0.2896	-0.0257	0.5031	0.1611	-0.0576	-0.0413	0.1786	-0.0135	0.1138	13.7439	12.1291	-1.2651

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	-2 - 55
2	X-RAY DIFFRACTION	2	A	56 - 124
3	X-RAY DIFFRACTION	3	A	125 - 170
4	X-RAY DIFFRACTION	4	A	171 - 239
5	X-RAY DIFFRACTION	5	B	-1 - 91
6	X-RAY DIFFRACTION	6	B	92 - 115
7	X-RAY DIFFRACTION	7	B	116 - 169
8	X-RAY DIFFRACTION	8	B	170 - 239
9	X-RAY DIFFRACTION	9	C	-1 - 139
10	X-RAY DIFFRACTION	10	C	140 - 173
11	X-RAY DIFFRACTION	11	C	174 - 223
12	X-RAY DIFFRACTION	12	C	224 - 238
13	X-RAY DIFFRACTION	13	D	0 - 105
14	X-RAY DIFFRACTION	14	D	106 - 124
15	X-RAY DIFFRACTION	15	D	125 - 229
16	X-RAY DIFFRACTION	16	D	230 - 238
17	X-RAY DIFFRACTION	17	E	-1 - 57
18	X-RAY DIFFRACTION	18	E	58 - 124
19	X-RAY DIFFRACTION	19	E	125 - 205
20	X-RAY DIFFRACTION	20	E	206 - 238
21	X-RAY DIFFRACTION	21	F	0 - 138
22	X-RAY DIFFRACTION	22	F	139 - 157
23	X-RAY DIFFRACTION	23	F	158 - 168
24	X-RAY DIFFRACTION	24	F	169 - 239

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