PDB-3hh1: The Structure of a Tetrapyrrole methylase family protein domain f...

ID or keywords:

Entry

Database: PDB / ID: 3hh1

Title

The Structure of a Tetrapyrrole methylase family protein domain from Chlorobium tepidum TLS

Components

Tetrapyrrole methylase family protein

Keywords

TRANSFERASE / tetrapyrrole methylase / Chlorobium tepidum / Structural Genomics / PSI-2 / Protein Structure Initiative / Midwest Center for Structural Genomics / MCSG / Methyltransferase

Function / homology

Function and homology information

16S rRNA (cytidine1402-2'-O)-methyltransferase / rRNA (cytosine-2'-O-)-methyltransferase activity / cytoplasm
Similarity search - Function

Biological species

Chlorobaculum tepidum (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MAD / Resolution: 1.85 Å

Authors

Cuff, M.E. / Sather, A. / Clancy, S. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

Citation

Journal: TO BE PUBLISHED
Title: The Structure of a Tetrapyrrole methylase family protein domain from Chlorobium tepidum TLS.
Authors: Cuff, M.E. / Sather, A. / Clancy, S. / Joachimiak, A.

History

Deposition	May 14, 2009	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 7, 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
Revision 1.3	Oct 30, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / struct_conn / 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_conn.pdbx_leaving_atom_flag / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3hh1.cif.gz	103.6 KB	Display	PDBx/mmCIF format
PDB format	pdb3hh1.ent.gz	79.6 KB	Display	PDB format
PDBx/mmJSON format	3hh1.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/hh/3hh1 ftp://data.pdbj.org/pub/pdb/validation_reports/hh/3hh1	HTTPS FTP

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Related structure data

Similar structure data	2hz0-1 2qze-1 2qy2-1 3h2q-2 3eqr-2 1g6h-d 5lmb-2 6jis-d 1lb8-2 3fvg-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) 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	TargetDB: APC62550.3

Similar structure data

Other databases

TargetDB: APC62550.3

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Tetrapyrrole methylase family protein

B: Tetrapyrrole methylase family protein

C: Tetrapyrrole methylase family protein

D: Tetrapyrrole methylase family protein

hetero molecules

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

1

A: Tetrapyrrole methylase family protein

B: Tetrapyrrole methylase family protein

hetero molecules

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

2

C: Tetrapyrrole methylase family protein

hetero molecules

defined by software
12.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

D: Tetrapyrrole methylase family protein

hetero molecules

defined by software
12.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	62.986, 47.569, 64.497
Angle α, β, γ (deg.)	90.000, 91.000, 90.000
Int Tables number	4
Space group name H-M	P12₁1

Details

AUTHOR DETERMINED BIOLOGICAL UNIT: UNKNOWN

#1: Protein	Tetrapyrrole methylase family protein Mass: 12452.724 Da / Num. of mol.: 4 / Fragment: residues 7-120 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Chlorobaculum tepidum (bacteria) / Strain: TLS / Gene: CT1646 / Plasmid: pMCSG19 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q8KBY6
#2: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: SO₄
#3: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₂H₆O₂
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 233 / 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: 1.95 Å³/Da / Density % sol: 36.94 %
Crystal grow	Temperature: 297 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 0.2M Ammonium Sulfate, 20% PEG 3350, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 297K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 19-ID / Wavelength: 0.97945, 0.97931

Detector

Type: ADSC QUANTUM 315r / Detector: CCD / Date: Feb 1, 2009

Radiation

Monochromator: SAGITALLY FOCUSED Si(111) / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	0.97945	1
2	0.97931	1

Reflection

Redundancy: 7.6 % / Av σ(I) over netI: 20.76 / Number: 270515 / R_merge(I) obs: 0.09 / Χ²: 1.31 / D res high: 1.8 Å / D res low: 50 Å / Num. obs: 35606 / % possible obs: 99.9

Diffraction reflection shell

Highest resolution (Å)	Lowest resolution (Å)	% possible obs (%)	ID	R_merge(I) obs	Chi squared	Redundancy
4.88	50	98.9	1	0.082	2.459	7.2
3.88	4.88	100	1	0.063	1.428	7.5
3.39	3.88	100	1	0.072	1.57	7.5
3.08	3.39	100	1	0.087	1.606	7.6
2.86	3.08	100	1	0.096	1.454	7.6
2.69	2.86	100	1	0.098	1.316	7.7
2.55	2.69	100	1	0.102	1.197	7.7
2.44	2.55	100	1	0.106	1.025	7.7
2.35	2.44	100	1	0.126	1.093	7.7
2.27	2.35	100	1	0.136	1.028	7.7
2.2	2.27	100	1	0.148	0.952	7.7
2.13	2.2	100	1	0.153	0.896	7.7
2.08	2.13	100	1	0.194	0.967	7.7
2.03	2.08	100	1	0.255	1.063	7.7
1.98	2.03	100	1	0.286	1.015	7.7
1.94	1.98	100	1	0.366	1.203	7.7
1.9	1.94	100	1	0.45	1.456	7.7
1.86	1.9	100	1	0.554	1.363	7.6
1.83	1.86	100	1	0.68	1.499	7.5
1.8	1.83	100	1	0.853	1.667	7.3

Reflection

Resolution: 1.8→50 Å / Num. all: 35606 / Num. obs: 35606 / % possible obs: 99.9 % / Observed criterion σ(I): -3 / Redundancy: 7.6 % / B_iso Wilson estimate: 29.4 Å² / R_merge(I) obs: 0.09 / Χ²: 1.309 / Net I/σ(I): 20.761

Reflection shell

Resolution: 1.8→1.83 Å / Redundancy: 7.3 % / R_merge(I) obs: 0.853 / Num. unique all: 1796 / Χ²: 1.667 / % possible all: 100

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Phasing

Phasing

Method:

MAD

Phasing MAD

D res high: 1.8 Å / D res low: 50 Å / FOM : 0.285 / FOM acentric: 0.287 / FOM centric: 0.238 / Reflection: 35490 / Reflection acentric: 33549 / Reflection centric: 1941

Phasing MAD set

Highest resolution: 1.8 Å / Lowest resolution: 50 Å

ID	R cullis acentric	R cullis centric	Loc acentric	Loc centric	Power acentric	Power centric	Reflection acentric	Reflection centric
1	1.26	1	0.1	0.1	0	0	33549	1941
2	0.94	0.9	10.4	16.2	0.53	0.46	26344	1642

Phasing MAD set shell

ID	Resolution (Å)	R cullis acentric	R cullis centric	Loc acentric	Loc centric	Power acentric	Power centric	Reflection acentric	Reflection centric
1	11.5-50	1.1	1	0.4	0.2	0	0	103	39
1	6.5-11.5	1.11	1	0.4	0.2	0	0	555	93
1	4.53-6.5	1.13	1	0.3	0.2	0	0	1367	161
1	3.47-4.53	1.01	1	0.2	0.2	0	0	2527	220
1	2.82-3.47	1.2	1	0.1	0.1	0	0	4076	274
1	2.37-2.82	1.47	1	0.1	0	0	0	5964	335
1	2.05-2.37	1.67	1	0	0	0	0	8249	385
1	1.8-2.05	5.03	1	0	0	0	0	10708	434
2	11.5-50	0.84	0.93	22.5	26.6	1.44	1.12	75	32
2	6.5-11.5	0.75	0.74	18.1	19.6	1.47	1.22	516	85
2	4.53-6.5	0.87	0.83	18.2	22	1.05	0.79	1367	160
2	3.47-4.53	0.93	0.93	19	27.2	0.65	0.41	2527	217
2	2.82-3.47	0.95	0.87	13.1	18.1	0.55	0.38	4076	274
2	2.37-2.82	0.96	0.93	8.4	11.9	0.46	0.3	5964	335
2	2.05-2.37	0.98	0.97	7.4	10.6	0.26	0.17	8245	385
2	1.8-2.05	0.99	0.99	7.2	10.6	0.16	0.1	3574	154

Phasing MAD set site

ID	Atom type symbol	B iso	Fract x	Fract y	Fract z	Occupancy
1	Se	24.13416	-0.724	-0.46	-0.127	0
2	Se	28.01863	-0.853	-0.961	-0.208	0
3	Se	28.72545	-0.892	-0.421	-0.301	0
4	Se	34.83353	-1.139	-0.963	-0.174	0
5	Se	29.55244	-0.698	-0.872	-0.388	0
6	Se	21.62797	-1.164	-0.404	-0.298	0
7	Se	36.22593	-0.427	-0.83	-0.385	0
8	Se	39.9866	-0.466	-0.382	-0.07	0
9	Se	36.25943	-0.725	-0.457	-0.128	-0.401
10	Se	44.54406	-0.855	-0.958	-0.209	-0.331
11	Se	39.96629	-0.891	-0.419	-0.302	-0.314
12	Se	50.28936	-1.139	-0.962	-0.175	-0.259
13	Se	38.60245	-0.697	-0.871	-0.386	-0.273
14	Se	65.0288	-1.166	-0.401	-0.299	-0.307
15	Se	67.22723	-0.424	-0.827	-0.389	-0.3
16	Se	48.20995	-0.467	-0.381	-0.073	-0.207

Phasing MAD shell

Resolution (Å)	FOM	FOM acentric	FOM centric	Reflection	Reflection acentric	Reflection centric
11.5-50	0.451	0.474	0.393	142	103	39
6.5-11.5	0.606	0.625	0.492	648	555	93
4.53-6.5	0.612	0.631	0.447	1528	1367	161
3.47-4.53	0.495	0.508	0.337	2747	2527	220
2.82-3.47	0.467	0.474	0.356	4350	4076	274
2.37-2.82	0.38	0.387	0.259	6299	5964	335
2.05-2.37	0.223	0.227	0.156	8634	8249	385
1.8-2.05	0.09	0.093	0.026	11142	10708	434

Phasing dm

Method: Solvent flattening and Histogram matching / Reflection: 35490

Phasing dm shell

Resolution (Å)	Delta phi final	FOM	Reflection
7.54-100	54.8	0.751	512
5.96-7.54	50.4	0.863	506
5.09-5.96	53.8	0.87	624
4.51-5.09	48.9	0.896	703
4.1-4.51	51.9	0.902	770
3.78-4.1	52.3	0.867	846
3.52-3.78	55.2	0.839	912
3.31-3.52	52.3	0.847	964
3.14-3.31	56.5	0.84	1023
2.99-3.14	57.1	0.827	1075
2.86-2.99	56.7	0.833	1124
2.74-2.86	56.1	0.847	1172
2.64-2.74	53.7	0.838	1207
2.55-2.64	56.8	0.834	1272
2.46-2.55	59.9	0.832	1312
2.39-2.46	60.1	0.824	1339
2.32-2.39	60	0.826	1395
2.26-2.32	64.6	0.811	1420
2.2-2.26	64.7	0.812	1468
2.15-2.2	66.6	0.827	1505
2.1-2.15	68.8	0.789	1537
2.05-2.1	68.8	0.786	1578
2.01-2.05	70.8	0.798	1584
1.96-2.01	76.1	0.803	1640
1.93-1.96	76.6	0.799	1646
1.89-1.93	78.7	0.792	1725
1.85-1.89	81.1	0.745	1690
1.8-1.85	82.6	0.698	2941

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
MLPHARE		phasing
DM	6	phasing
REFMAC		refinement
PDB_EXTRACT	3.005	data extraction
SBC-Collect		data collection
HKL-3000		data reduction
HKL-3000		data scaling
HKL-3000		phasing
SHELXD		phasing
SHELXE		model building
SOLVE		phasing
RESOLVE		phasing
ARP/wARP		model building
CCP4		phasing
O		model building
Coot		model building

Refinement

Method to determine structure:

MAD / Resolution: 1.85→37.96 Å / Cor.coef. F_o:F_c: 0.963 / Cor.coef. F_o:F_c free: 0.947 / WR_factor R_free: 0.257 / WR_factor R_work: 0.2 / Occupancy max: 1 / Occupancy min: 0.5 / FOM work R set: 0.884 / SU B: 6.359 / SU ML: 0.096 / SU R Cruickshank DPI: 0.157 / SU R_free: 0.146 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.157 / ESU R Free: 0.144
Stereochemistry target values: MAXIMUM LIKELIHOOD WITH PHASES
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES: RESIDUAL ONLY

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.227	1648	5 %	RANDOM
R_work	0.181	-	-	-
all	0.183	32800	-	-
obs	0.183	32800	99.73 %	-

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 max: 118.84 Å² / B_iso mean: 26.295 Å² / B_iso min: 7.69 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-2 Å²	0 Å²	0.1 Å²
2-	-	0.5 Å²	0 Å²
3-	-	-	1.5 Å²

Refinement step

Cycle: LAST / Resolution: 1.85→37.96 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3249	0	34	233	3516

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.016	0.022	3375
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	2195
X-RAY DIFFRACTION	r_angle_refined_deg	1.487	1.976	4599
X-RAY DIFFRACTION	r_angle_other_deg	0.915	3	5363
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.486	5	441
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	28.387	22.985	134
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.995	15	527
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	16.976	15	29
X-RAY DIFFRACTION	r_chiral_restr	0.088	0.2	550
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.021	3776
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	657
X-RAY DIFFRACTION	r_mcbond_it	1.018	1.5	2199
X-RAY DIFFRACTION	r_mcbond_other	0.286	1.5	896
X-RAY DIFFRACTION	r_mcangle_it	1.883	2	3533
X-RAY DIFFRACTION	r_scbond_it	2.922	3	1176
X-RAY DIFFRACTION	r_scangle_it	4.957	4.5	1066

LS refinement shell

Resolution: 1.85→1.898 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.259	123	-
R_work	0.208	2283	-
all	-	2406	-
obs	-	-	98.77 %

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	9.7276	-0.3617	3.5094	8.5688	-2.801	4.1005	0.411	0.6015	-0.1649	0.0373	-0.547	-0.5005	-0.1878	0.2053	0.1359	0.1094	0.0035	-0.0205	0.1394	0.0303	0.0966	28.2762	40.0186	11.5245
2	7.684	0.8136	-1.1212	2.9189	-0.8905	3.8982	0.0648	-0.4132	-0.462	0.0995	0.0618	-0.1973	-0.0826	0.3004	-0.1266	0.1001	-0.0022	-0.0101	0.093	0.0163	0.128	42.8467	38.5782	16.56
3	3.6501	-0.0092	-0.9231	2.6321	-0.1209	0.9007	0.0118	-0.4069	-0.1528	0.4142	-0.077	-0.0973	-0.0364	0.0755	0.0653	0.132	0.0016	-0.0209	0.1203	0.0435	0.0888	31.6776	42.0901	24.3644
4	4.58	-0.7968	0.5681	3.7053	-3.4435	9.7089	-0.1049	-0.0982	-0.0204	0.0478	-0.0758	0.123	0.1934	-0.1601	0.1806	0.0973	0.0129	0.0007	0.0546	-0.0046	0.1172	20.5419	41.7693	18.4297
5	2.4569	-0.2367	-0.4573	4.0179	0.0411	0.0899	-0.0054	0.1509	-0.2472	0.1288	-0.0437	-0.0541	0.0231	-0.0154	0.0491	0.1295	0.0233	-0.0169	0.0914	0.0005	0.122	25.4718	31.8364	14.9218
6	4.8482	-1.0131	0.1051	0.9525	0.9726	1.3638	0.045	-0.0602	0.2555	0.0994	0.0706	-0.179	0.1181	0.0788	-0.1156	0.1057	0.0103	-0.0147	0.0514	0.0246	0.1445	33.8043	12.9446	16.6455
7	4.9718	-1.4953	-1.3135	3.2034	-0.1011	1.4642	0.2607	0.6816	0.3475	-0.5075	-0.2128	-0.3891	-0.1056	-0.1635	-0.0479	0.1756	0.0342	0.0413	0.1335	0.0543	0.1033	33.0229	13.6929	4.3241
8	4.0636	-0.3071	0.7173	3.2545	-0.7719	1.5465	0.013	0.1409	0.1771	-0.2314	-0.012	0.3222	0.01	-0.1228	-0.001	0.1163	0.0235	-0.0166	0.0922	0.0134	0.1055	25.8722	11.42	6.8852
9	1.9861	-2.2327	2.1321	2.6947	-3.3087	7.6519	-0.0385	0.1002	-0.0104	-0.0931	0.0478	0.0251	0.189	-0.7813	-0.0093	0.2781	-0.068	-0.0372	0.2666	-0.0386	0.1317	15.2794	11.7203	13.1255
10	2.8424	0.0246	-0.8931	3.3993	-0.6636	2.0934	-0.0046	-0.1378	0.2215	0.0592	-0.0505	-0.0277	-0.1172	0.0623	0.0551	0.0824	-0.0061	-0.0161	0.0584	-0.023	0.0776	24.6208	19.8716	16.9269
11	12.4177	4.1707	-8.5033	8.3227	-5.1187	7.8268	-0.1875	-0.3579	0.1077	-0.0414	-0.2159	-0.5878	0.2896	-0.2102	0.4034	0.1646	-0.0292	0.0125	0.2448	-0.0244	0.2765	1.166	41.8285	46.7017
12	4.4449	0.1886	0.0723	1.2759	-0.3073	0.4543	0.1005	0.411	0.3844	-0.0269	-0.0629	-0.0878	-0.0454	-0.0337	-0.0375	0.0532	-0.0027	-0.0009	0.1624	0.0709	0.1437	10.5874	36.5164	41.3668
13	9.4703	-2.1265	0.0201	3.2204	-0.343	2.3995	0.2258	1.4048	0.0576	-0.3355	-0.2136	-0.0324	0.0623	-0.1974	-0.0122	0.0707	-0.0109	-0.0058	0.3626	0.0408	0.0441	5.6953	31.3558	35.3455
14	7.1109	-0.3228	-1.2287	2.2081	-0.4321	3.891	-0.0026	0.8731	0.4191	-0.0529	0.0382	0.2456	-0.0556	-0.264	-0.0356	0.0416	0.0009	-0.0098	0.202	0.1362	0.185	-5.343	38.9413	39.5294
15	7.3858	1.2505	-2.7934	2.8925	0.032	9.905	0.3476	0.0074	0.3681	-0.2464	-0.1213	0.0689	-0.4461	0.6088	-0.2262	0.0999	-0.0324	0.0354	0.1372	0.0843	0.2368	-2.6125	47.6425	43.4289
16	4.8858	0.8423	-0.0997	1.4378	0.0861	0.8507	0.041	-0.102	-0.1194	0.0133	-0.061	0.0325	0.0585	-0.0674	0.02	0.0394	0.0238	0.0022	0.0805	0.0047	0.0851	-8.014	43.3541	12.2883
17	6.2219	1.6772	1.4668	1.0671	-0.829	2.8169	-0.2601	0.5315	0.0522	-0.0766	0.1473	-0.0247	-0.113	0.0716	0.1128	0.1551	0.0507	-0.0199	0.1301	-0.0331	0.0968	-6.8627	50.1629	3.0591
18	6.8444	-0.1042	-2.6656	2.7281	0.315	10.1223	0.0051	0.0451	0.0895	-0.1234	-0.0216	-0.1087	-0.0222	0.2963	0.0165	0.0941	0.0147	-0.0214	0.0977	0.0138	0.1501	8.5941	48.6695	11.9137
19	1.7954	-0.8369	-0.1674	2.9192	2.9412	4.7502	0.0541	0.2508	-0.4155	-0.2111	-0.1432	0.0852	0.0647	-0.0329	0.0891	0.1771	0.0144	0.0094	0.1753	-0.0347	0.2585	-0.2504	37.1377	3.5353
20	5.8096	-0.5985	2.1026	6.771	3.2855	9.5251	-0.0746	-0.4313	-0.1586	0.0903	-0.1752	0.2491	0.6079	-0.7161	0.2498	0.0698	0.0107	0.0022	0.2026	-0.0056	0.231	4.4877	37.8216	14.1843

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	6 - 11
2	X-RAY DIFFRACTION	2	A	12 - 24
3	X-RAY DIFFRACTION	3	A	25 - 60
4	X-RAY DIFFRACTION	4	A	61 - 83
5	X-RAY DIFFRACTION	5	A	84 - 112
6	X-RAY DIFFRACTION	6	B	7 - 32
7	X-RAY DIFFRACTION	7	B	33 - 46
8	X-RAY DIFFRACTION	8	B	47 - 60
9	X-RAY DIFFRACTION	9	B	61 - 75
10	X-RAY DIFFRACTION	10	B	76 - 113
11	X-RAY DIFFRACTION	11	C	7 - 10
12	X-RAY DIFFRACTION	12	C	11 - 37
13	X-RAY DIFFRACTION	13	C	38 - 60
14	X-RAY DIFFRACTION	14	C	61 - 90
15	X-RAY DIFFRACTION	15	C	100 - 112
16	X-RAY DIFFRACTION	16	D	6 - 34
17	X-RAY DIFFRACTION	17	D	35 - 58
18	X-RAY DIFFRACTION	18	D	62 - 78
19	X-RAY DIFFRACTION	19	D	79 - 95
20	X-RAY DIFFRACTION	20	D	96 - 112

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