PDB-3glb: Crystal structure of the effector binding domain of a CATM varian...

ID or keywords:

Entry

Database: PDB / ID: 3glb

Title

Crystal structure of the effector binding domain of a CATM variant (R156H)

Components

HTH-type transcriptional regulator catM

Keywords

TRANSCRIPTION /

LTTR / BENM / CATM /

TRANSCRIPTIONAL ACTIVATOR / LYSR-TYPE TRANSCRIPTIONAL REGULATOR / Activator / Aromatic hydrocarbons catabolism / DNA-binding /

Repressor /

Transcription regulation

Function / homology

Function and homology information

: / DNA-binding transcription factor activity /

Biological species

Acinetobacter sp. (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.8 Å

Authors

Ezezika, O.C. / Craven, S.H. / Neidle, E.L. / Momany, C.

Citation

Journal: Mol.Microbiol. / Year: 2009
Title: Inducer responses of BenM, a LysR-type transcriptional regulator from Acinetobacter baylyi ADP1.
Authors: Craven, S.H. / Ezezika, O.C. / Haddad, S. / Hall, R.A. / Momany, C. / Neidle, E.L.

History

Deposition	Mar 11, 2009	Deposition site: RCSB / Processing site: RCSB
Supersession	May 19, 2009	ID: 2H9Q
Revision 1.0	May 19, 2009	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Refinement description / Version format compliance
Revision 1.2	Nov 1, 2017	Group: Refinement description / Category: software Item: _software.classification / _software.contact_author ..._software.classification / _software.contact_author / _software.contact_author_email / _software.date / _software.language / _software.location / _software.name / _software.type / _software.version
Revision 1.3	Oct 20, 2021	Group: Database references / Derived calculations / Category: database_2 / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.4	Sep 6, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_comp_id ..._struct_ncs_dom_lim.beg_auth_comp_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_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/gl/3glb ftp://data.pdbj.org/pub/pdb/validation_reports/gl/3glb	HTTPS FTP

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Related structure data

Related structure data	2h99C 2h9bC 2f7bS 2f7a 2f7c 2h98 C: citing same article (ref.) S: Starting model for refinement
Similar structure data	3qz8-d 2f7b-1 3gil-2 3w78-2 6jim-1 2ia6-2 6vgm-1 6o69-d 5edw-d 6vg6-2 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

Deposited unit

A: HTH-type transcriptional regulator catM

B: HTH-type transcriptional regulator catM

C: HTH-type transcriptional regulator catM

D: HTH-type transcriptional regulator catM

hetero molecules

103 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: HTH-type transcriptional regulator catM

B: HTH-type transcriptional regulator catM

hetero molecules

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

2

C: HTH-type transcriptional regulator catM

D: HTH-type transcriptional regulator catM

hetero molecules

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

Unit cell

Length a, b, c (Å)	110.689, 115.410, 76.068
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	18
Space group name H-M	P2₁2₁2

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: 1 / Refine code: 4

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	GLN	GLN	ARG	ARG	A	A	90 - 155	2 - 67
2	1	GLN	GLN	ARG	ARG	B	B	90 - 155	2 - 67
3	1	GLN	GLN	ARG	ARG	C	C	90 - 155	2 - 67
4	1	GLN	GLN	ARG	ARG	D	D	90 - 155	2 - 67
1	2	ILE	ILE	SER	SER	A	A	157 - 219	69 - 131
2	2	ILE	ILE	SER	SER	B	B	157 - 219	69 - 131
3	2	ILE	ILE	SER	SER	C	C	157 - 219	69 - 131
4	2	ILE	ILE	SER	SER	D	D	157 - 219	69 - 131
1	3	ASP	ASP	HIS	HIS	A	A	277 - 296	189 - 208
2	3	ASP	ASP	HIS	HIS	B	B	277 - 296	189 - 208
3	3	ASP	ASP	HIS	HIS	C	C	277 - 296	189 - 208
4	3	ASP	ASP	HIS	HIS	D	D	277 - 296	189 - 208
1	4	LEU	LEU	ASN	ASN	A	A	221 - 275	133 - 187
2	4	LEU	LEU	ASN	ASN	B	B	221 - 275	133 - 187
3	4	LEU	LEU	ASN	ASN	C	C	221 - 275	133 - 187
4	4	LEU	LEU	ASN	ASN	D	D	221 - 275	133 - 187

NCS ensembles :

ID
1
2
3
4

#1: Protein	HTH-type transcriptional regulator catM / Cat operon transcriptional regulator Mass: 25336.521 Da / Num. of mol.: 4 / Mutation: R156H Source method: isolated from a genetically manipulated source Source: (gene. exp.) Acinetobacter sp. (bacteria) / Strain: ADP1 / Gene: catM, catR, ACIAD1445 / Plasmid: PET21B / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P07774
#2: Chemical	ChemComp-CCU / (2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID / CIS,CIS-MUCONIC ACID / Muconic acid Mass: 142.109 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₆H₆O₄
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol Mass: 92.094 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Chemical	ChemComp-SO4 / SULFATE ION / Sulfate Mass: 96.063 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: SO₄
#5: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 246 / 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: 2.4 Å³/Da / Density % sol: 48.69 %
Crystal grow	Temperature: 296.4 K / Method: microbatch under oil Details: precipitant: 1.6 M Ammonium Sulfate, 0.1 m Citric Acid, ph 4, 0.1 m Cis,Cis-Muconate. protein: 20 mM Tris HCL, 0.5 M NACL, ph 7.9, 250 mM Imdizale, 10% Glycerol protein and preicipitant ...Details: precipitant: 1.6 M Ammonium Sulfate, 0.1 m Citric Acid, ph 4, 0.1 m Cis,Cis-Muconate. protein: 20 mM Tris HCL, 0.5 M NACL, ph 7.9, 250 mM Imdizale, 10% Glycerol protein and preicipitant mixed in a ratio of 3:1 , MICROBATCH UNDER OIL, temperature 296.4K

Crystal

Density Matthews: 2.4 Å³/Da / Density % sol: 48.69 %

Crystal grow

Temperature: 296.4 K / Method: microbatch under oil
Details: precipitant: 1.6 M Ammonium Sulfate, 0.1 m Citric Acid, ph 4, 0.1 m Cis,Cis-Muconate. protein: 20 mM Tris HCL, 0.5 M NACL, ph 7.9, 250 mM Imdizale, 10% Glycerol protein and preicipitant ...

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 22-BM / Wavelength: 1 Å

Detector

Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Aug 22, 2005 / Details: Bending magnet

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1 Å / Relative weight: 1

Reflection

Redundancy: 7.8 % / Av σ(I) over netI: 31.1 / Number: 194071 / R_merge(I) obs: 0.072 / Χ²: 1.14 / D res high: 2.8 Å / D res low: 50 Å / Num. obs: 24741 / % possible obs: 99.9

Diffraction reflection shell

Highest resolution (Å)	Lowest resolution (Å)	% possible obs (%)	ID	R_merge(I) obs	Chi squared	Redundancy
6.03	50	99.9	1	0.03	1.167	7.4
4.79	6.03	100	1	0.053	1.44	7.8
4.18	4.79	100	1	0.053	1.501	7.9
3.8	4.18	100	1	0.068	1.314	7.9
3.53	3.8	100	1	0.092	1.166	8
3.32	3.53	100	1	0.133	1.08	8
3.15	3.32	100	1	0.191	0.97	8
3.02	3.15	100	1	0.271	0.92	8
2.9	3.02	100	1	0.356	0.895	8
2.8	2.9	98.6	1	0.462	0.925	7.5

Reflection

Resolution: 2.8→50 Å / Num. obs: 24741 / % possible obs: 99.9 % / Observed criterion σ(I): 0 / Redundancy: 7.8 % / B_iso Wilson estimate: 73.8 Å² / R_merge(I) obs: 0.072 / Χ²: 1.14 / Net I/σ(I): 31.098

Reflection shell

Resolution: 2.8→2.9 Å / Redundancy: 7.5 % / R_merge(I) obs: 0.462 / Mean I/σ(I) obs: 3.9 / Num. unique all: 2405 / Χ²: 0.925 / % possible all: 98.6

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
MOLREP		phasing
REFMAC		refinement
PDB_EXTRACT	3.006	data extraction
HKL-2000		data collection
HKL-2000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2F7B

2f7b

Resolution: 2.8→45.98 Å / Cor.coef. F_o:F_c: 0.947 / Cor.coef. F_o:F_c free: 0.897 / WR_factor R_free: 0.253 / WR_factor R_work: 0.186 / Occupancy max: 1 / Occupancy min: 0 / FOM work R set: 0.757 / SU B: 33.364 / SU ML: 0.375 / SU R_free: 0.437 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.436 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.279	1221	4.9 %	RANDOM
R_work	0.205	-	-	-
obs	0.209	24719	99.77 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso max: 146.85 Å² / B_iso mean: 53.208 Å² / B_iso min: 27.85 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.35 Å²	0 Å²	0 Å²
2-	-	1.65 Å²	0 Å²
3-	-	-	-1.29 Å²

Refinement step

Cycle: LAST / Resolution: 2.8→45.98 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6759	0	85	246	7090

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.007	0.022	6986
X-RAY DIFFRACTION	r_bond_other_d	0.004	0.02	4669
X-RAY DIFFRACTION	r_angle_refined_deg	1.023	1.988	9475
X-RAY DIFFRACTION	r_angle_other_deg	0.884	3	11518
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.723	5	856
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.647	24.583	288
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.426	15	1234
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	13.119	15	28
X-RAY DIFFRACTION	r_chiral_restr	0.055	0.2	1114
X-RAY DIFFRACTION	r_gen_planes_refined	0.002	0.02	7568
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	1292
X-RAY DIFFRACTION	r_nbd_refined	0.19	0.2	1491
X-RAY DIFFRACTION	r_nbd_other	0.171	0.2	4778
X-RAY DIFFRACTION	r_nbtor_refined	0.167	0.2	3371
X-RAY DIFFRACTION	r_nbtor_other	0.081	0.2	3587
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.129	0.2	242
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.157	0.2	41
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.198	0.2	91
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.192	0.2	10
X-RAY DIFFRACTION	r_mcbond_it	0.433	2	5577
X-RAY DIFFRACTION	r_mcbond_other	0.061	2	1714
X-RAY DIFFRACTION	r_mcangle_it	0.583	4	6986
X-RAY DIFFRACTION	r_scbond_it	1.599	8	2999
X-RAY DIFFRACTION	r_scangle_it	2.324	10	2489

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	895	MEDIUM POSITIONAL	0.5	0.5
1	2	B	895	MEDIUM POSITIONAL	0.38	0.5
1	3	C	895	MEDIUM POSITIONAL	0.44	0.5
1	1	D	895	MEDIUM POSITIONAL	0.43	0.5
1	1	A	895	MEDIUM THERMAL	0.23	2
1	2	B	895	MEDIUM THERMAL	0.21	2
1	3	C	895	MEDIUM THERMAL	0.17	2
1	1	D	895	MEDIUM THERMAL	0.19	2
2	1	A	845	MEDIUM POSITIONAL	0.53	0.5
2	2	B	845	MEDIUM POSITIONAL	0.43	0.5
2	3	C	845	MEDIUM POSITIONAL	0.38	0.5
2	1	D	845	MEDIUM POSITIONAL	0.41	0.5
2	1	A	845	MEDIUM THERMAL	0.2	2
2	2	B	845	MEDIUM THERMAL	0.26	2
2	3	C	845	MEDIUM THERMAL	0.19	2
2	1	D	845	MEDIUM THERMAL	0.16	2
3	1	A	262	MEDIUM POSITIONAL	0.52	0.5
3	2	B	262	MEDIUM POSITIONAL	0.34	0.5
3	3	C	262	MEDIUM POSITIONAL	0.47	0.5
3	1	D	262	MEDIUM POSITIONAL	0.43	0.5
3	1	A	262	MEDIUM THERMAL	0.24	2
3	2	B	262	MEDIUM THERMAL	0.23	2
3	3	C	262	MEDIUM THERMAL	0.18	2
3	1	D	262	MEDIUM THERMAL	0.25	2
4	1	A	667	MEDIUM POSITIONAL	0.42	0.5
4	2	B	667	MEDIUM POSITIONAL	0.42	0.5
4	3	C	667	MEDIUM POSITIONAL	0.36	0.5
4	1	D	667	MEDIUM POSITIONAL	0.34	0.5
4	1	A	667	MEDIUM THERMAL	0.23	2
4	2	B	667	MEDIUM THERMAL	0.26	2
4	3	C	667	MEDIUM THERMAL	0.23	2
4	1	D	667	MEDIUM THERMAL	0.19	2

LS refinement shell

Resolution: 2.8→2.87 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.402	85	-
R_work	0.288	1665	-
all	-	1750	-
obs	-	-	97.82 %

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	3.7373	-1.8081	-0.01	1.5905	-1.8379	4.7443	0.1004	0.4038	-0.3178	-0.1525	-0.0164	0.0761	0.3044	-0.2668	-0.0841	-0.01	-0.0059	-0.0835	-0.0413	-0.053	-0.2458	17.541	-38.277	-1.699
2	7.2311	3.6191	-0.9325	3.1187	3.5588	12.5158	-0.3567	0.7563	0.2551	-0.4673	0.1427	-0.0701	-0.3847	-0.1701	0.2139	0.0116	0.1176	-0.1062	0.0697	-0.0313	-0.1969	17.335	-36.319	-14.065
3	5.5756	0.7234	1.1648	1.28	-0.9309	1.2304	-0.1492	0.7729	0.5473	-0.421	0.0251	0.0508	0.1659	0.2662	0.1241	0.2295	-0.017	-0.0729	0.24	0.0899	-0.1356	28.157	-17.833	-14.507
4	8.5111	-2.8857	2.269	7.1529	-1.1093	1.8241	-0.1775	0.334	0.2846	-0.1685	0.1679	0.1459	-0.1686	-0.1203	0.0096	0.162	-0.0938	-0.0207	0.034	0.0266	-0.1879	32.887	-18.458	-7.047
5	1.6643	1.2973	-2.1177	7.7645	2.6045	5.3758	-0.2686	0.3629	0.3692	-0.4058	-0.1711	0.5426	0.2677	-0.4796	0.4396	-0.136	0.1125	-0.1421	0.1404	-0.0348	-0.1986	8.963	-33.257	-6.345
6	13.908	15.3055	8.3308	16.8435	9.168	4.9901	-0.9615	1.1389	3.1735	-0.16	-0.734	0.9908	-2.3445	-0.9823	1.6955	0.1477	0.2451	0.0625	0.7059	0.1214	-0.0072	10.535	-22.396	2.556
7	4.2312	-1.7508	-0.1438	6.6731	-0.5213	0.0616	0.0886	0.5902	0.0416	-0.4999	-0.15	0.3047	-0.5656	-0.2148	0.0614	0.0562	-0.1072	0.0587	0.1404	-0.0197	-0.2454	48.106	-28.456	-9.397
8	3.0123	1.3294	-1.1739	3.34	2.2952	3.5077	-0.1093	0.351	-0.2007	-0.3374	-0.0211	0.1265	-0.0063	0.1306	0.1304	-0.0116	-0.0714	0.0432	0.1848	-0.028	-0.1201	51.934	-36.459	-12.229
9	3.0426	-0.9079	-1.1913	3.2325	0.6199	3.8098	0.0002	-0.0511	-0.497	-0.0994	-0.0274	0.0218	-0.0141	0.0913	0.0272	-0.1971	-0.0491	-0.0129	-0.0363	0.0456	-0.2378	34.836	-45.953	5.675
10	1.2026	2.2648	2.7339	4.4843	4.8736	6.5595	-0.234	0.1204	-0.0321	-0.2894	0.0596	-0.1486	-0.1357	0.4012	0.1743	-0.0277	-0.0571	0.0773	0.1437	-0.0275	-0.2329	58.68	-32.877	-8.636
11	176.06	-30.6767	-4.3602	52.6416	9.8061	1.8383	-4.2177	-8.263	2.4504	6.6734	3.7862	1.2226	0.6917	-0.9725	0.4315	0.8153	0.0918	0.1776	1.1505	-0.3896	-0.0777	51.139	-22.291	8.53
12	4.0624	-0.8765	-0.5137	9.7349	-3.6308	1.5316	0.341	0.4697	-0.9487	0.2395	-0.2431	-0.3199	0.6548	-0.0715	-0.0979	0.4151	-0.0161	-0.1987	0.1844	-0.1596	-0.1188	17.63	-23.114	-44.095
13	7.2531	3.716	6.8884	6.0149	5.3855	7.8852	-0.0299	0.4171	0.145	-0.3031	0.0717	0.7372	-0.1665	-0.3166	-0.0418	0.0664	0.0214	-0.0551	0.1803	-0.0243	-0.275	9.448	-11.367	-47.447
14	2.0143	0.9539	2.2147	2.8775	1.5333	2.5317	0.1908	0.0022	0.2033	0.253	-0.2277	0.3331	0.1851	-0.1472	0.0369	0.1282	-0.0495	0.0438	0.1019	-0.0468	-0.2941	16.237	-0.312	-32.531
15	4.1656	-2.0265	-0.5445	2.6033	-0.1294	6.3175	0.0555	0.1097	0.1929	0.2498	-0.3464	0.1452	0.4893	-0.256	0.2908	0.1708	-0.0978	0.009	-0.0179	-0.0722	-0.2718	20.509	1.333	-32.846
16	8.5552	0.5884	2.0597	3.8093	0.8539	2.4338	0.422	0.1733	-1.1312	0.7018	0.0473	0.4258	0.7071	-0.4112	-0.4693	0.3331	-0.0626	-0.0361	0.2116	-0.0438	-0.203	7.105	-22.395	-40.008
17	21.1993	-0.1407	8.8329	20.93	2.3729	32.8008	-0.086	0.225	0.5338	3.8302	0.3361	0.776	-0.0791	-0.5964	-0.2501	1.0058	-0.1303	-0.0649	0.1999	0.0914	0.1864	12.823	-19.279	-24.893
18	2.383	0.0188	1.4085	2.3193	4.3493	8.9478	0.0264	0.2027	0.3323	0.5401	-0.064	-0.0512	0.1851	0.4973	0.0376	0.0306	0.0731	-0.0732	0.1673	0.0818	-0.3203	36.974	3.4	-41.984
19	5.0692	2.838	1.6077	8.2246	1.6848	6.9963	0.2979	0.2664	0.1228	-0.2955	-0.209	0.0946	-0.0374	-0.0939	-0.0889	-0.094	0.1375	-0.0133	0.1489	0.0924	-0.2859	37.282	4.889	-49.608
20	1.3293	0.1143	-0.1012	3.7649	-0.1296	2.2761	0.2215	0.2276	-0.7474	-0.246	-0.0884	-0.6791	0.6972	0.3789	-0.1331	0.2469	0.252	-0.1603	0.3611	-0.0943	0.0542	40.459	-18.604	-49.819
21	8.2482	-0.8738	0.2688	3.6849	0.8029	4.9397	0.5097	0.3465	-0.3905	0.2664	-0.2887	-0.4947	0.5279	0.1975	-0.221	0.3054	0.1419	-0.221	0.1223	-0.0281	-0.0788	34.117	-19.451	-44.895
22	2.9362	-1.9287	0.8699	8.2379	-4.0609	7.5014	0.0173	0.0592	0.1169	0.2471	-0.1517	-0.2612	-0.3668	0.7526	0.1344	-0.1179	0.0488	-0.041	0.3326	0.1094	-0.2521	46.681	4.996	-44.896
23	4.6775	0.3473	1.547	0.0258	0.1148	0.5117	0.324	-1.7574	0.5138	-1.1689	-0.7485	0.4338	3.7426	4.6073	0.4245	0.4952	0.1907	-0.0446	0.48	-0.0145	0.1303	55.573	-4.905	-49.278

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	89 - 118
2	X-RAY DIFFRACTION	2	A	119 - 148
3	X-RAY DIFFRACTION	3	A	149 - 228
4	X-RAY DIFFRACTION	4	A	229 - 266
5	X-RAY DIFFRACTION	5	A	267 - 294
6	X-RAY DIFFRACTION	6	A	295 - 303
7	X-RAY DIFFRACTION	7	B	90 - 112
8	X-RAY DIFFRACTION	8	B	113 - 162
9	X-RAY DIFFRACTION	9	B	163 - 206
10	X-RAY DIFFRACTION	10	B	268 - 294
11	X-RAY DIFFRACTION	11	B	295 - 301
12	X-RAY DIFFRACTION	12	C	89 - 124
13	X-RAY DIFFRACTION	13	C	125 - 148
14	X-RAY DIFFRACTION	14	C	149 - 206
15	X-RAY DIFFRACTION	15	C	207 - 267
16	X-RAY DIFFRACTION	16	C	268 - 295
17	X-RAY DIFFRACTION	17	C	296 - 300
18	X-RAY DIFFRACTION	18	D	89 - 112
19	X-RAY DIFFRACTION	19	D	113 - 148
20	X-RAY DIFFRACTION	20	D	149 - 217
21	X-RAY DIFFRACTION	21	D	218 - 266
22	X-RAY DIFFRACTION	22	D	267 - 297
23	X-RAY DIFFRACTION	23	D	298 - 307

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