PDB-5h9t: Crystal structure of native NalD at resolution of 2.9, the second...

ID or keywords:

Entry

Database: PDB / ID: 5h9t

Title

Crystal structure of native NalD at resolution of 2.9, the secondary repressor of MexAB-OprM multidrug efflux pump in Pseudomonas aeruginosa

Components

NalD

Keywords

TRANSCRIPTION REGULATOR / Repressor / TetR family

Function / homology

Function and homology information

negative regulation of transport / negative regulation of transmembrane transport / negative regulation of transporter activity / transcription cis-regulatory region binding / DNA-binding transcription factor activity / negative regulation of DNA-templated transcription / regulation of DNA-templated transcription / DNA binding
Similarity search - Function

Biological species

Pseudomonas aeruginosa (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.89 Å

Authors

Chen, W.Z. / Wang, D. / Huang, S.Q. / Hu, Q.Y. / Liu, X.C. / Gan, J.H. / Chen, H.

Funding support

China, 1items

Citation

Journal: Mol. Microbiol. / Year: 2016
Title: Novobiocin binding to NalD induces the expression of the MexAB-OprM pump in Pseudomonas aeruginosa.
Authors: Chen, W. / Wang, D. / Zhou, W. / Sang, H. / Liu, X. / Ge, Z. / Zhang, J. / Lan, L. / Yang, C.G. / Chen, H.

History

Deposition	Dec 29, 2015	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Apr 20, 2016	Provider: repository / Type: Initial release
Revision 1.1	Oct 18, 2017	Group: Author supporting evidence / Database references / Derived calculations Category: citation / pdbx_audit_support / pdbx_struct_oper_list Item: _citation.journal_id_CSD / _pdbx_audit_support.funding_organization / _pdbx_struct_oper_list.symmetry_operation
Revision 1.2	Dec 6, 2017	Group: Database references / Category: citation Item: _citation.journal_abbrev / _citation.journal_volume ..._citation.journal_abbrev / _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3	Nov 8, 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 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

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	5h9t_validation.pdf.gz	486.4 KB	Display	wwPDB validaton report
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Data in XML	5h9t_validation.xml.gz	51.8 KB	Display
Data in CIF	5h9t_validation.cif.gz	70.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/h9/5h9t ftp://data.pdbj.org/pub/pdb/validation_reports/h9/5h9t	HTTPS FTP

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Related structure data

Related structure data	5dajSC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	5daj-1 5daj-3 5daj-4 3he0-1 3vw2-1 3pm1-d 3bt9-1 3vw2-2 1rkw-1 3vvz-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) 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

5dajSC

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: NalD

B: NalD

C: NalD

D: NalD

E: NalD

F: NalD

G: NalD

H: NalD

196 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: NalD

B: NalD

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

2

C: NalD

D: NalD

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

3

E: NalD

F: NalD

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

4

G: NalD

H: NalD

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

Unit cell

Length a, b, c (Å)	61.676, 127.602, 265.420
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

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	ASP	ASP	ASP	ASP	A	A	7 - 204	7 - 204
2	1	ASP	ASP	ASP	ASP	B	B	7 - 204	7 - 204
1	2	LYS	LYS	TRP	TRP	A	A	5 - 205	5 - 205
2	2	LYS	LYS	TRP	TRP	C	C	5 - 205	5 - 205
1	3	ASP	ASP	TRP	TRP	A	A	7 - 205	7 - 205
2	3	ASP	ASP	TRP	TRP	D	D	7 - 205	7 - 205
1	4	SER	SER	ASP	ASP	A	A	8 - 204	8 - 204
2	4	SER	SER	ASP	ASP	E	E	8 - 204	8 - 204
1	5	ASP	ASP	TRP	TRP	A	A	7 - 205	7 - 205
2	5	ASP	ASP	TRP	TRP	F	F	7 - 205	7 - 205
1	6	SER	SER	TRP	TRP	A	A	8 - 205	8 - 205
2	6	SER	SER	TRP	TRP	G	G	8 - 205	8 - 205
1	7	GLU	GLU	TRP	TRP	A	A	6 - 205	6 - 205
2	7	GLU	GLU	TRP	TRP	H	H	6 - 205	6 - 205
1	8	ASP	ASP	TRP	TRP	B	B	7 - 205	7 - 205
2	8	ASP	ASP	TRP	TRP	C	C	7 - 205	7 - 205
1	9	ASP	ASP	TRP	TRP	B	B	7 - 205	7 - 205
2	9	ASP	ASP	TRP	TRP	D	D	7 - 205	7 - 205
1	10	SER	SER	TRP	TRP	B	B	8 - 205	8 - 205
2	10	SER	SER	TRP	TRP	E	E	8 - 205	8 - 205
1	11	ASP	ASP	TRP	TRP	B	B	7 - 205	7 - 205
2	11	ASP	ASP	TRP	TRP	F	F	7 - 205	7 - 205
1	12	SER	SER	TRP	TRP	B	B	8 - 205	8 - 205
2	12	SER	SER	TRP	TRP	G	G	8 - 205	8 - 205
1	13	ASP	ASP	TRP	TRP	B	B	7 - 205	7 - 205
2	13	ASP	ASP	TRP	TRP	H	H	7 - 205	7 - 205
1	14	ASP	ASP	ASP	ASP	C	C	7 - 204	7 - 204
2	14	ASP	ASP	ASP	ASP	D	D	7 - 204	7 - 204
1	15	SER	SER	ASP	ASP	C	C	8 - 204	8 - 204
2	15	SER	SER	ASP	ASP	E	E	8 - 204	8 - 204
1	16	ASP	ASP	TRP	TRP	C	C	7 - 205	7 - 205
2	16	ASP	ASP	TRP	TRP	F	F	7 - 205	7 - 205
1	17	SER	SER	TRP	TRP	C	C	8 - 205	8 - 205
2	17	SER	SER	TRP	TRP	G	G	8 - 205	8 - 205
1	18	GLU	GLU	TRP	TRP	C	C	6 - 205	6 - 205
2	18	GLU	GLU	TRP	TRP	H	H	6 - 205	6 - 205
1	19	SER	SER	TRP	TRP	D	D	8 - 205	8 - 205
2	19	SER	SER	TRP	TRP	E	E	8 - 205	8 - 205
1	20	ASP	ASP	TRP	TRP	D	D	7 - 205	7 - 205
2	20	ASP	ASP	TRP	TRP	F	F	7 - 205	7 - 205
1	21	SER	SER	TRP	TRP	D	D	8 - 205	8 - 205
2	21	SER	SER	TRP	TRP	G	G	8 - 205	8 - 205
1	22	ASP	ASP	TRP	TRP	D	D	7 - 205	7 - 205
2	22	ASP	ASP	TRP	TRP	H	H	7 - 205	7 - 205
1	23	SER	SER	TRP	TRP	E	E	8 - 205	8 - 205
2	23	SER	SER	TRP	TRP	F	F	8 - 205	8 - 205
1	24	SER	SER	TRP	TRP	E	E	8 - 205	8 - 205
2	24	SER	SER	TRP	TRP	G	G	8 - 205	8 - 205
1	25	SER	SER	TRP	TRP	E	E	8 - 205	8 - 205
2	25	SER	SER	TRP	TRP	H	H	8 - 205	8 - 205
1	26	SER	SER	TRP	TRP	F	F	8 - 205	8 - 205
2	26	SER	SER	TRP	TRP	G	G	8 - 205	8 - 205
1	27	ASP	ASP	ASP	ASP	F	F	7 - 204	7 - 204
2	27	ASP	ASP	ASP	ASP	H	H	7 - 204	7 - 204
1	28	SER	SER	ASP	ASP	G	G	8 - 204	8 - 204
2	28	SER	SER	ASP	ASP	H	H	8 - 204	8 - 204

NCS ensembles :

#1: Protein	NalD Mass: 24554.121 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) (bacteria) Strain: ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228 / Gene: nalD, PA3574 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q9HY46
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 10 / Source method: isolated from a natural source / Formula: H₂O

#1: Protein

NalD

Mass: 24554.121 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) (bacteria)
Strain: ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228 / Gene: nalD, PA3574 / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q9HY46

#2: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 10 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 2.66 Å³/Da / Density % sol: 53.83 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 6 Details: tacsimate,sodium citrate tribasic dihydrate, polyethylene glycol 3350

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 1 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jun 6, 2012
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.89→50 Å / Num. obs: 47656 / % possible obs: 99.6 % / Redundancy: 9.3 % / R_sym value: 0.09 / Net I/σ(I): 32.46
Reflection shell	Resolution: 2.89→3 Å / Redundancy: 9.3 % / R_merge(I) obs: 0.69 / Mean I/σ(I) obs: 3.5 / % possible all: 98.7

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Processing

Software

Name	Version	Classification
REFMAC	5.7.0029	refinement
HKL-2000		data reduction
HKL-2000		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5DAJ

5daj

Resolution: 2.89→30 Å / Cor.coef. F_o:F_c: 0.945 / Cor.coef. F_o:F_c free: 0.926 / SU B: 36.505 / SU ML: 0.309 / Cross valid method: THROUGHOUT / ESU R Free: 0.393 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.25214	2411	5.1 %	RANDOM
R_work	0.19397	-	-	-
obs	0.19699	45176	98.81 %	-

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: 91.563 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-3.19 Å²	-0 Å²	0 Å²
2-	-	5.37 Å²	0 Å²
3-	-	-	-2.18 Å²

Refinement step

Cycle: LAST / Resolution: 2.89→30 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12623	0	0	10	12633

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.01	0.019	12862
X-RAY DIFFRACTION	r_bond_other_d	0.008	0.02	12388
X-RAY DIFFRACTION	r_angle_refined_deg	1.515	1.965	17390
X-RAY DIFFRACTION	r_angle_other_deg	1.745	3	28283
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.549	5	1552
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.307	23.014	657
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	20.434	15	2275
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.714	15	146
X-RAY DIFFRACTION	r_chiral_restr	0.081	0.2	1954
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.021	14486
X-RAY DIFFRACTION	r_gen_planes_other	0.005	0.02	3112
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
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it
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	3.946	3	25250
X-RAY DIFFRACTION	r_sphericity_free	86.361	5	1
X-RAY DIFFRACTION	r_sphericity_bonded	20.775	5	25020

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	11774	0.1
1	2	B	11774	0.1
2	1	A	10925	0.14
2	2	C	10925	0.14
3	1	A	11138	0.14
3	2	D	11138	0.14
4	1	A	11196	0.13
4	2	E	11196	0.13
5	1	A	11079	0.13
5	2	F	11079	0.13
6	1	A	11100	0.13
6	2	G	11100	0.13
7	1	A	11153	0.13
7	2	H	11153	0.13
8	1	B	10905	0.13
8	2	C	10905	0.13
9	1	B	11038	0.14
9	2	D	11038	0.14
10	1	B	11329	0.12
10	2	E	11329	0.12
11	1	B	11015	0.14
11	2	F	11015	0.14
12	1	B	11285	0.12
12	2	G	11285	0.12
13	1	B	11259	0.12
13	2	H	11259	0.12
14	1	C	10515	0.15
14	2	D	10515	0.15
15	1	C	10597	0.15
15	2	E	10597	0.15
16	1	C	10320	0.17
16	2	F	10320	0.17
17	1	C	10331	0.16
17	2	G	10331	0.16
18	1	C	10513	0.16
18	2	H	10513	0.16
19	1	D	10920	0.14
19	2	E	10920	0.14
20	1	D	10544	0.16
20	2	F	10544	0.16
21	1	D	10470	0.16
21	2	G	10470	0.16
22	1	D	10510	0.16
22	2	H	10510	0.16
23	1	E	10789	0.15
23	2	F	10789	0.15
24	1	E	11037	0.13
24	2	G	11037	0.13
25	1	E	10967	0.13
25	2	H	10967	0.13
26	1	F	10549	0.16
26	2	G	10549	0.16
27	1	F	10726	0.15
27	2	H	10726	0.15
28	1	G	10910	0.14
28	2	H	10910	0.14

LS refinement shell

Resolution: 2.887→2.961 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.39	138	-
R_work	0.249	2946	-
obs	-	-	88.27 %

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	2.2899	-1.8694	0.286	2.0255	-1.1565	1.8862	0.0341	0.0088	0.1717	-0.0905	-0.0999	-0.1409	0.0918	-0.0235	0.0658	0.4444	0.0243	0.0112	0.2343	-0.0655	0.393	7.0876	47.683	41.4232
2	0.4492	-0.4319	-0.2237	0.5723	-0.1566	1.0522	0.0335	0.1562	-0.0538	-0.0093	-0.0601	0.0273	0.0684	-0.3053	0.0266	0.3855	-0.051	-0.0083	0.2398	0.0114	0.4055	11.6954	20.2682	42.2978
3	4.3881	3.4894	0.6801	3.3955	1.5627	2.182	0.0896	-0.262	0.257	0.134	-0.2325	0.1243	-0.2464	0.1378	0.1429	0.4936	-0.2319	-0.0735	0.1684	0.0352	0.3954	35.6195	44.1712	56.1048
4	0.1693	0.1822	-0.2124	0.637	0.1016	1.3698	-0.0397	-0.1023	-0.0501	-0.0038	-0.0765	0.0421	0.0884	0.2671	0.1162	0.3684	0.0168	-0.0088	0.2564	0.035	0.3957	30.3326	19.3949	46.002
5	3.0162	-0.8511	0.362	5.7052	-5.1358	4.6814	-0.2547	0.1991	0.2247	0.091	0.2659	-0.0285	-0.0604	-0.2557	-0.0112	0.5029	-0.1692	-0.0531	0.3654	0.0845	0.1518	27.6378	96.9841	-7.0272
6	1.1557	0.3768	-0.7194	0.934	-0.0443	2.4402	-0.0102	0.0593	0.2971	0.2003	0.1495	0.263	-0.1727	0.2199	-0.1393	0.517	0.0644	0.0433	0.2678	-0.0035	0.216	23.3484	93.0198	19.5803
7	1.8254	-0.7729	0.8606	3.6314	1.962	2.3192	-0.2264	0.0102	-0.0324	0.2355	0.4474	-0.0127	0.0629	0.4487	-0.2209	0.2943	-0.01	0.0484	0.4445	-0.1613	0.3033	37.7284	65.5166	0.3829
8	2.0104	-0.1642	-1.0811	1.0542	1.3049	2.0917	-0.2666	-0.0048	-0.1868	0.3326	0.2322	0.0449	0.3375	0.2786	0.0344	0.5644	0.1813	0.1122	0.3192	0.0089	0.2163	24.747	74.8121	22.3446
9	2.7267	2.213	-0.9736	5.5614	2.9337	4.0383	0.0693	-0.0615	-0.0749	-0.2383	0.2114	-0.3227	-0.3684	0.2909	-0.2807	0.4918	-0.075	0.0918	0.2758	-0.0172	0.2716	-0.4759	40.8206	20.0157
10	2.403	0.604	-0.2943	0.5464	-0.0411	0.7005	0.1342	0.283	0.1013	-0.0505	0.1249	0.1191	-0.3427	-0.0869	-0.2591	0.4474	0.0219	0.0747	0.347	0.1238	0.2501	-24.7234	29.6874	13.8115
11	2.2861	-3.0224	-0.2699	4.1	-0.1841	3.263	-0.0723	-0.2586	0.3199	0.1017	0.2307	-0.3771	0.2799	0.4737	-0.1584	0.2959	-0.0046	-0.0812	0.448	-0.1684	0.3102	4.0433	8.3311	19.4075
12	1.015	-0.4795	-0.2562	1.0721	-0.0965	0.4428	0.0519	0.2194	-0.1976	-0.1051	-0.0164	0.0808	0.0011	0.0475	-0.0355	0.3813	-0.0124	-0.0415	0.4041	-0.0878	0.259	-20.793	11.8419	8.7135
13	6.0691	3.9174	-1.5825	2.5363	-1.009	0.4699	-0.4508	0.3424	-0.3386	-0.3645	0.2991	-0.2686	-0.0905	0.0167	0.1516	0.878	-0.4295	-0.0687	0.2484	-0.1198	0.6194	19.544	94.9293	56.5416
14	0.8709	0.3101	-0.1802	0.7332	0.5994	0.9674	0.134	0.0185	0.1026	-0.3034	0.0352	-0.082	-0.3923	-0.1083	-0.1692	0.5498	0.0628	0.1333	0.1065	-0.0255	0.4378	-5.2705	82.8916	55.9374
15	3.0932	-1.9443	1.6564	8.9094	-2.8768	5.8469	-0.2176	-0.2512	0.2665	0.2924	-0.0045	-1.6203	0.0763	0.032	0.222	0.1026	0.0088	-0.0981	0.1148	-0.1957	0.8136	23.7253	64.8616	69.0041
16	0.8088	-0.9081	-0.1009	1.3326	0.5452	0.7273	0.0493	-0.0857	0.0696	-0.0679	0.1406	-0.1209	-0.0113	-0.0155	-0.1899	0.3825	0.0039	0.0191	0.1788	-0.0986	0.4537	-1.1504	64.1092	58.1427

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	5 - 54
2	X-RAY DIFFRACTION	2	A	55 - 205
3	X-RAY DIFFRACTION	3	B	7 - 54
4	X-RAY DIFFRACTION	4	B	55 - 205
5	X-RAY DIFFRACTION	5	C	5 - 54
6	X-RAY DIFFRACTION	6	C	55 - 205
7	X-RAY DIFFRACTION	7	D	7 - 54
8	X-RAY DIFFRACTION	8	D	55 - 205
9	X-RAY DIFFRACTION	9	E	8 - 54
10	X-RAY DIFFRACTION	10	E	55 - 205
11	X-RAY DIFFRACTION	11	F	7 - 54
12	X-RAY DIFFRACTION	12	F	55 - 205
13	X-RAY DIFFRACTION	13	G	8 - 54
14	X-RAY DIFFRACTION	14	G	55 - 205
15	X-RAY DIFFRACTION	15	H	6 - 54
16	X-RAY DIFFRACTION	16	H	55 - 206

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