PDB-3sbx: Crystal structure of a putative uncharacterized protein from Myco...

ID or keywords:

Entry

Database: PDB / ID: 3sbx

Title

Crystal structure of a putative uncharacterized protein from Mycobacterium marinum bound to adenosine 5'-monophosphate AMP

Components

Putative uncharacterized protein

Keywords

UNKNOWN FUNCTION / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease / SSGCID / putative uncharacterized protein / Molybdenum cofactor binding protein / Moco / GTP / orthologs are possible misannotated as possible or putative lysine decarboxylases / AMP was MS verified / proteomics

Function / homology

Function and homology information

cytokinin riboside 5'-monophosphate phosphoribohydrolase activity / : / cytokinin biosynthetic process / nucleotide binding / cytosol
Similarity search - Function

Biological species

Mycobacterium marinum M (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.5 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: Tuberculosis (Edinb) / Year: 2015
Title: Increasing the structural coverage of tuberculosis drug targets.
Authors: Baugh, L. / Phan, I. / Begley, D.W. / Clifton, M.C. / Armour, B. / Dranow, D.M. / Taylor, B.M. / Muruthi, M.M. / Abendroth, J. / Fairman, J.W. / Fox, D. / Dieterich, S.H. / Staker, B.L. / ...

History

Deposition	Jun 6, 2011	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 15, 2011	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Apr 22, 2015	Group: Database references
Revision 1.3	Sep 13, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / 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 / struct_site 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 / _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	3sbx.cif.gz	528.4 KB	Display	PDBx/mmCIF format
PDB format	pdb3sbx.ent.gz	437.9 KB	Display	PDB format
PDBx/mmJSON format	3sbx.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	3sbx_validation.pdf.gz	2.6 MB	Display	wwPDB validaton report
Full document	3sbx_full_validation.pdf.gz	2.6 MB	Display
Data in XML	3sbx_validation.xml.gz	53.2 KB	Display
Data in CIF	3sbx_validation.cif.gz	70.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/sb/3sbx ftp://data.pdbj.org/pub/pdb/validation_reports/sb/3sbx	HTTPS FTP

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Related structure data

Related structure data	3gvcC 3gvgC 3gwcC 3h7fC 3h81C 3he2C 3hwiC 3hwkC 3hzgC 3icoC 3khpC 3llsC 3moyC 3mpzC 3mybC 3ndnC 3ndoC 3nf4C 3ng3C 3njdC 3nwoC 3o0mC 3o38C 3oc6C 3oc7C 3oi9C 3oksC 3omeC 3p0tC 3p2yC 3p4iC 3p4tC 3p5mC 3p85C 3pe8C 3pk0C 3ppiC 3pzyC 3q1tC 3q8nC 3qbpC 3qdfC 3qhaC 3qivC 3qk8C 3qkaC 3qljC 3qmjC 3qreC 3quaSC 3quvC 3qxiC 3qxzC 3qyrC 3r0oC 3r1iC 3r1jC 3r20C 3r2nC 3r4tC 3r6hC 3r6oC 3r7kC 3r8cC 3r9pC 3r9qC 3r9rC 3r9sC 3r9tC 3rd5C 3rd7C 3rd8C 3rfqC 3rihC 3rr2C 3rr6C 3rrpC 3rrvC 3rsiC 3rv2C 3s82C 3sf6C 3sllC 3svkC 3svtC 3swoC 3swtC 3swxC 3t3wC 3tavC 3tcrC 3tdeC 3tjrC 3tl3C 3tlfC 3trrC 3tx2C 3tzqC 3tzuC 3u0aC 3ucxC 3uveC 4di1C 4dieC 4dq8C 4dxlC 4ed4C 4egeC 4egfC 4emdC 4eo9C 4eyeC 4f3wC 4f47C 4ffcC 4gk6C 4hdtC 4hr3C 4i1yC 4ijnC 4iv6C 4iz9C 4j5iC 4kamC 4lgvC 4o2dC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	3qua-d 3q62-d 5mh3-3 3lf6-d 5v3y-2 2aox-2 5mh2-1 2x20-1 6ljn-d 5mh3-8 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
Other databases	TargetDB: MymaA.00620.b

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#129 - Sep 2010 Isocitrate Dehydrogenase similarity (1) #154 - Oct 2012 Citric Acid Cycle similarity (1) #24 - Dec 2001 Glycogen Phosphorylase similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1)

Deposited unit

A: Putative uncharacterized protein

B: Putative uncharacterized protein

C: Putative uncharacterized protein

D: Putative uncharacterized protein

E: Putative uncharacterized protein

F: Putative uncharacterized protein

G: Putative uncharacterized protein

H: Putative uncharacterized protein

hetero molecules

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

1

A: Putative uncharacterized protein

B: Putative uncharacterized protein

hetero molecules

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

2

C: Putative uncharacterized protein

D: Putative uncharacterized protein

hetero molecules

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

3

E: Putative uncharacterized protein

F: Putative uncharacterized protein

hetero molecules

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

4

G: Putative uncharacterized protein

H: Putative uncharacterized protein

hetero molecules

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

Unit cell

Length a, b, c (Å)	67.240, 80.120, 85.690
Angle α, β, γ (deg.)	106.70, 90.13, 98.81
Int Tables number	1
Space group name H-M	P1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
4	1	D
5	1	E
6	1	F
7	1	G
8	1	H

NCS domain segments:

Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: TRP / Beg label comp-ID: TRP / End auth comp-ID: PRO / End label comp-ID: PRO / Refine code: 5 / Auth seq-ID: 11 - 186 / Label seq-ID: 14 - 189

Dom-ID	Auth asym-ID	Label asym-ID
1	A	A
2	B	B
3	C	C
4	D	D
5	E	E
6	F	F
7	G	G
8	H	H

#1: Protein	Putative uncharacterized protein Mass: 20160.760 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium marinum M (bacteria) / Strain: ATCC BAA-535 / M / Gene: MMAR_4233 / Plasmid: pAVA0421 / Production host: Escherichia coli (E. coli) / References: UniProt: B2HS63
#2: Chemical	ChemComp-AMP / ADENOSINE MONOPHOSPHATE Mass: 347.221 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₁₀H₁₄N₅O₇P / Comment: AMP*YM
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 178 / 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: 2.71 Å³/Da / Density % sol: 54.54 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 4.2 Details: MymaA.00620.b.A1 PW29922 at 27.2 mg/mL against JCSG+ screen condition C1, 0.2 M NaCl, 0.1 M phosphate/citrate pH 4.2, 20% PEG 8000 with 25% ethylene glycol as cryo-protection reagent, ...Details: MymaA.00620.b.A1 PW29922 at 27.2 mg/mL against JCSG+ screen condition C1, 0.2 M NaCl, 0.1 M phosphate/citrate pH 4.2, 20% PEG 8000 with 25% ethylene glycol as cryo-protection reagent, crystal tracking ID 218867c1, VAPOR DIFFUSION, SITTING DROP, temperature 289K

Crystal

Density Matthews: 2.71 Å³/Da / Density % sol: 54.54 %

Crystal grow

Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 4.2
Details: MymaA.00620.b.A1 PW29922 at 27.2 mg/mL against JCSG+ screen condition C1, 0.2 M NaCl, 0.1 M phosphate/citrate pH 4.2, 20% PEG 8000 with 25% ethylene glycol as cryo-protection reagent, ...

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

ALS

/ Beamline: 5.0.1 / Wavelength: 0.9774 Å

Detector

Type: ADSC QUANTUM 315r / Detector: CCD / Date: Apr 10, 2011

Radiation

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

Radiation wavelength

Wavelength: 0.9774 Å / Relative weight: 1

Reflection

Resolution: 2.5→50 Å / Num. all: 58548 / Num. obs: 52931 / % possible obs: 90.4 % / Observed criterion σ(I): -3 / Redundancy: 1.8 % / R_merge(I) obs: 0.057 / Net I/σ(I): 11.16

Reflection shell

Resolution (Å)	Highest resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	Diffraction-ID	% possible all
2.5-2.56		1.7	0.34	2.2	1	94.8
2.56-2.64			0.331	2.41	1	94.2
2.64-2.71			0.245	3.36	1	89.1
2.71-2.8			0.214	3.68	1	93.6
2.8-2.89			0.187	4.24	1	93
2.89-2.99			0.133	5.42	1	93.2
2.99-3.1			0.113	6.58	1	92.7
3.1-3.23			0.084	8.27	1	92
3.23-3.37			0.072	9.6	1	90.4
3.37-3.54			0.055	13.21	1	84.8
3.54-3.73			0.045	15.72	1	82.1
3.73-3.95			0.037	18.37	1	82.6
3.95-4.23			0.033	19.81	1	90.1
4.23-4.56			0.029	22.32	1	89.8
4.56-5			0.026	23.79	1	90.3
5-5.59			0.029	21.38	1	90.7
5.59-6.46			0.033	20.98	1	89.6
6.46-7.91			0.023	25.27	1	89.4
7.91-11.18			0.018	35.22	1	87.5
	11.18		0.015	38.75	1	85.6

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Phasing

Phasing

Method:

molecular replacement

Phasing MR

R_factor: 47.43 / Model details: Phaser MODE: MR_AUTO

	Highest resolution	Lowest resolution
Rotation	2.5 Å	46.36 Å
Translation	2.5 Å	46.36 Å

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
PHASER	2.1.4	phasing
REFMAC		refinement
PDB_EXTRACT	3.1	data extraction
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 3QUA

3qua

Resolution: 2.5→50 Å / Cor.coef. F_o:F_c: 0.906 / Cor.coef. F_o:F_c free: 0.87 / Occupancy max: 1 / Occupancy min: 0.3 / SU B: 25.291 / SU ML: 0.26 / SU R Cruickshank DPI: 0.7924 / Cross valid method: THROUGHOUT / ESU R: 0.793 / ESU R Free: 0.351 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.28752	2622	5 %	RANDOM
R_work	0.24249	-	-	-
obs	0.24468	50303	90.5 %	-

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 mean: 34.994 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.49 Å²	-1.5 Å²	-1.07 Å²
2-	-	1.43 Å²	-0.76 Å²
3-	-	-	-0.83 Å²

Refinement step

Cycle: LAST / Resolution: 2.5→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10435	0	184	178	10797

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.009	0.021	10934
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.253	1.948	15032
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.204	5	1414
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.381	23.382	411
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	16.529	15	1478
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	19.571	15	56
X-RAY DIFFRACTION	r_chiral_restr	0.079	0.2	1732
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.021	8270
X-RAY DIFFRACTION	r_gen_planes_other
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	0.495	1.5	6985
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.923	2	11040
X-RAY DIFFRACTION	r_scbond_it	0.998	3	3949
X-RAY DIFFRACTION	r_scangle_it	1.682	4.5	3989
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	A	702	MEDIUM POSITIONAL	0.37	0.5
2	B	702	MEDIUM POSITIONAL	0.24	0.5
3	C	702	MEDIUM POSITIONAL	0.23	0.5
4	D	702	MEDIUM POSITIONAL	0.27	0.5
5	E	702	MEDIUM POSITIONAL	0.26	0.5
6	F	702	MEDIUM POSITIONAL	0.25	0.5
7	G	702	MEDIUM POSITIONAL	0.36	0.5
8	H	702	MEDIUM POSITIONAL	0.25	0.5
1	A	510	LOOSE POSITIONAL	0.79	5
2	B	510	LOOSE POSITIONAL	0.52	5
3	C	510	LOOSE POSITIONAL	0.53	5
4	D	510	LOOSE POSITIONAL	0.65	5
5	E	510	LOOSE POSITIONAL	0.46	5
6	F	510	LOOSE POSITIONAL	0.51	5
7	G	510	LOOSE POSITIONAL	0.77	5
8	H	510	LOOSE POSITIONAL	0.5	5
1	A	702	MEDIUM THERMAL	0.53	2
2	B	702	MEDIUM THERMAL	0.36	2
3	C	702	MEDIUM THERMAL	0.6	2
4	D	702	MEDIUM THERMAL	0.41	2
5	E	702	MEDIUM THERMAL	0.82	2
6	F	702	MEDIUM THERMAL	0.56	2
7	G	702	MEDIUM THERMAL	0.56	2
8	H	702	MEDIUM THERMAL	0.37	2
1	A	510	LOOSE THERMAL	0.57	10
2	B	510	LOOSE THERMAL	0.47	10
3	C	510	LOOSE THERMAL	0.62	10
4	D	510	LOOSE THERMAL	0.52	10
5	E	510	LOOSE THERMAL	0.86	10
6	F	510	LOOSE THERMAL	0.68	10
7	G	510	LOOSE THERMAL	0.66	10
8	H	510	LOOSE THERMAL	0.45	10

LS refinement shell

Resolution: 2.5→2.565 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.339	189	-
R_work	0.301	3902	-
obs	-	-	94.87 %

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	2.5331	-0.944	1.6545	0.4945	-0.3993	1.4185	-0.0989	-0.1786	0.0655	0.0106	0.0076	0.0219	-0.0734	-0.2153	0.0913	0.1077	-0.0394	-0.024	0.1746	-0.0051	0.0823	5.3818	2.1359	20.3327
2	0.912	0.477	-0.0922	2.9173	0.2126	0.4711	-0.03	0.0629	-0.2125	-0.0556	-0.0093	-0.0722	-0.0559	-0.1516	0.0393	0.0439	-0.03	-0.0059	0.2014	-0.0153	0.0544	11.2926	-12.4161	11.2727
3	1.2731	1.2327	0.0422	1.2642	0.2269	1.5411	0.0853	-0.0261	0.0936	0.0195	-0.0291	0.1526	-0.045	0.1356	-0.0561	0.0997	0.0491	-0.0761	0.0896	-0.0472	0.1102	-7.7845	-17.6559	-6.4932
4	0.6729	-0.0984	1.2185	0.1679	0.2722	3.6796	-0.1089	-0.1854	-0.0411	0.0637	0.0255	0.0733	-0.1296	-0.1578	0.0833	0.096	-0.0537	0.0196	0.2301	-0.0475	0.1051	-8.0118	-19.4799	10.6422
5	2.1063	-0.1047	-0.0857	2.0475	1.0381	1.5824	-0.1796	-0.3899	-0.3008	0.2369	0.0536	-0.0357	0.3994	0.0829	0.126	0.2832	0.0779	-0.0118	0.1518	0.0809	0.1263	-12.3102	-11.4464	56.0924
6	1.0279	-1.0584	-0.7262	1.8895	-0.5267	2.6343	-0.1159	-0.1364	0.1154	0.0206	0.1588	-0.0826	0.1851	0.0031	-0.0429	0.0864	-0.003	-0.0863	0.1138	-0.0591	0.1332	-15.1851	4.5652	49.2047
7	1.6861	0.1832	0.7334	1.4922	-0.709	1.7476	-0.1889	0.0499	0.1387	-0.1217	0.0925	-0.0201	-0.1799	-0.1345	0.0963	0.0781	-0.0253	-0.0312	0.1633	-0.0363	0.0474	-33.305	2.6934	30.0154
8	2.1496	-0.5508	0.7166	0.6028	0.2132	0.5903	0.0846	0.0855	-0.046	-0.0224	0.0076	-0.1045	0.0592	0.0585	-0.0922	0.1403	-0.0135	0.0531	0.1032	-0.0323	0.118	-17.0495	-4.4005	30.7298
9	4.022	1.7901	-1.2008	3.1846	1.3657	1.9232	0.0144	-0.8713	-0.1743	0.1551	-0.5437	0.369	0.0695	0.1594	0.5292	0.1585	0.0141	-0.0783	0.4253	0.0869	0.2224	-42.5527	-36.2778	3.7429
10	1.9688	0.2471	-0.8824	0.6899	-0.2104	3.5098	-0.1204	-0.3661	-0.3557	-0.1274	-0.1774	0.0456	0.2828	0.1633	0.2977	0.1533	-0.0158	0.15	0.1571	-0.0136	0.2449	-40.3942	-45.6098	-11.1149
11	1.5919	0.5863	-0.499	1.3669	0.97	2.1363	-0.1545	0.1712	0.0867	-0.0957	0.077	0.0461	0.1338	-0.1513	0.0775	0.0703	-0.0149	-0.0352	0.1049	0.0109	0.0802	-21.4243	-33.0989	-25.3202
12	3.1605	-0.0088	-0.7265	0.568	0.3917	0.4372	-0.0969	0.2076	0.305	-0.0035	-0.0381	0.2929	0.007	-0.0929	0.135	0.0901	0.0325	-0.0583	0.2174	0.0149	0.2133	-37.8945	-27.7869	-21.2398
13	1.1239	-0.3977	-0.9502	0.9428	-0.4455	1.5707	-0.0204	-0.1573	0.0316	-0.0091	-0.0173	-0.0992	0.0445	0.2088	0.0378	0.0829	-0.0158	-0.0533	0.0935	0.0022	0.0959	6.556	-51.8422	48.6964
14	0.8044	0.9169	0.2153	1.9688	0.0302	0.1703	-0.045	0.0441	0.0917	-0.0462	-0.021	0.0397	-0.0945	0.0763	0.066	0.1292	-0.0354	-0.0366	0.0803	0.041	0.0895	0.942	-35.3931	48.9775
15	1.4351	1.5015	0.4907	1.9065	-0.053	1.7259	0.0714	0.0686	-0.0172	0.0301	0.0308	-0.0992	0.082	-0.0579	-0.1022	0.1371	-0.0566	0.0522	0.1003	0.02	0.1416	20.1032	-20.7025	37.3523
16	0.9143	1.1912	-1.491	1.6122	-2.0564	2.6792	-0.0145	-0.1051	-0.1504	-0.0445	-0.068	-0.1461	0.127	0.0213	0.0825	0.1193	-0.0783	-0.081	0.1405	0.0527	0.2108	20.2245	-28.7652	52.8385

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	10 - 99
2	X-RAY DIFFRACTION	2	A	100 - 186
3	X-RAY DIFFRACTION	3	B	10 - 99
4	X-RAY DIFFRACTION	4	B	100 - 186
5	X-RAY DIFFRACTION	5	C	10 - 99
6	X-RAY DIFFRACTION	6	C	100 - 186
7	X-RAY DIFFRACTION	7	D	10 - 99
8	X-RAY DIFFRACTION	8	D	100 - 186
9	X-RAY DIFFRACTION	9	E	10 - 99
10	X-RAY DIFFRACTION	10	E	100 - 186
11	X-RAY DIFFRACTION	11	F	10 - 99
12	X-RAY DIFFRACTION	12	F	100 - 186
13	X-RAY DIFFRACTION	13	G	10 - 99
14	X-RAY DIFFRACTION	14	G	100 - 186
15	X-RAY DIFFRACTION	15	H	10 - 99
16	X-RAY DIFFRACTION	16	H	100 - 186

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