PDB-6rkc: Inter-dimeric interface controls function and stability of S-meth...

ID or keywords:

Entry

Database: PDB / ID: 6rkc

Title

Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum

Components

Methionine adenosyltransferase

Keywords

TRANSFERASE / synthetase

Function / homology

GMP Synthetase; Chain A, domain 3 - #10 / GMP Synthetase; Chain A, domain 3 / 2-Layer Sandwich / Alpha Beta / : / (DIPHOSPHONO)AMINOPHOSPHONIC ACID / S-ADENOSYLMETHIONINE / :

Function and homology information

Biological species

Ureaplasma urealyticum serovar 7 str. ATCC 27819 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.56 Å

Authors

Shahar, A. / Zarivach, R. / Bershtein, S. / Kleiner, D. / Shmulevich, F.

Funding support

Israel, 1items

Citation

Journal: J.Mol.Biol. / Year: 2019
Title: The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase.
Authors: Kleiner, D. / Shmulevich, F. / Zarivach, R. / Shahar, A. / Sharon, M. / Ben-Nissan, G. / Bershtein, S.

History

Deposition	Apr 30, 2019	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Sep 25, 2019	Provider: repository / Type: Initial release
Revision 1.1	Dec 25, 2019	Group: Database references / Category: citation Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title
Revision 1.2	Jan 24, 2024	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 / pdbx_struct_conn_angle / refine / refine_hist / struct_conn / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _refine.pdbx_diffrn_id / _refine_hist.d_res_low / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _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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Download

PDBx/mmCIF format	6rkc.cif.gz	1.1 MB	Display	PDBx/mmCIF format
PDB format	pdb6rkc.ent.gz	986.5 KB	Display	PDB format
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Validation report

Summary document	6rkc_validation.pdf.gz	7.1 MB	Display	wwPDB validaton report
Full document	6rkc_full_validation.pdf.gz	7.3 MB	Display
Data in XML	6rkc_validation.xml.gz	118.5 KB	Display
Data in CIF	6rkc_validation.cif.gz	152.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/rk/6rkc ftp://data.pdbj.org/pub/pdb/validation_reports/rk/6rkc	HTTPS FTP

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Related structure data

Related structure data	6rjsSC 6rk5C 6rk7C 6rkaC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	7lo2-d 1mxc-2 7lnn-1 7ll3-1 7low-1 3so4-d 3tde-d 1mxb-2 3iml-d 5a1i-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) Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#139 - Jul 2011 DNA Methyltransferase similarity (1)

Deposited unit

A: Methionine adenosyltransferase

B: Methionine adenosyltransferase

C: Methionine adenosyltransferase

D: Methionine adenosyltransferase

E: Methionine adenosyltransferase

F: Methionine adenosyltransferase

G: Methionine adenosyltransferase

H: Methionine adenosyltransferase

hetero molecules

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

1

A: Methionine adenosyltransferase

B: Methionine adenosyltransferase

C: Methionine adenosyltransferase

D: Methionine adenosyltransferase

hetero molecules

defined by author&software
Evidence: gel filtration
176 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

E: Methionine adenosyltransferase

F: Methionine adenosyltransferase

G: Methionine adenosyltransferase

H: Methionine adenosyltransferase

hetero molecules

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

Unit cell

Length a, b, c (Å)	142.372, 79.467, 143.787
Angle α, β, γ (deg.)	90.00, 105.11, 90.00
Int Tables number	4
Space group name H-M	P12₁1

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	LYS	LYS	ASN	ASN	A	A	4 - 374	4 - 374
2	1	LYS	LYS	ASN	ASN	B	B	4 - 374	4 - 374
1	2	LYS	LYS	ASN	ASN	A	A	4 - 374	4 - 374
2	2	LYS	LYS	ASN	ASN	C	C	4 - 374	4 - 374
1	3	LYS	LYS	SER	SER	A	A	4 - 375	4 - 375
2	3	LYS	LYS	SER	SER	D	D	4 - 375	4 - 375
1	4	LYS	LYS	SER	SER	A	A	4 - 375	4 - 375
2	4	LYS	LYS	SER	SER	E	E	4 - 375	4 - 375
1	5	LYS	LYS	ASN	ASN	A	A	4 - 374	4 - 374
2	5	LYS	LYS	ASN	ASN	F	F	4 - 374	4 - 374
1	6	LYS	LYS	ASN	ASN	A	A	4 - 374	4 - 374
2	6	LYS	LYS	ASN	ASN	G	G	4 - 374	4 - 374
1	7	LYS	LYS	SER	SER	A	A	4 - 375	4 - 375
2	7	LYS	LYS	SER	SER	H	H	4 - 375	4 - 375
1	8	LYS	LYS	ASN	ASN	B	B	4 - 374	4 - 374
2	8	LYS	LYS	ASN	ASN	C	C	4 - 374	4 - 374
1	9	LYS	LYS	ASN	ASN	B	B	4 - 374	4 - 374
2	9	LYS	LYS	ASN	ASN	D	D	4 - 374	4 - 374
1	10	LYS	LYS	ASN	ASN	B	B	4 - 374	4 - 374
2	10	LYS	LYS	ASN	ASN	E	E	4 - 374	4 - 374
1	11	LYS	LYS	HIS	HIS	B	B	4 - 377	4 - 377
2	11	LYS	LYS	HIS	HIS	F	F	4 - 377	4 - 377
1	12	LYS	LYS	ASN	ASN	B	B	4 - 374	4 - 374
2	12	LYS	LYS	ASN	ASN	G	G	4 - 374	4 - 374
1	13	LYS	LYS	ASN	ASN	B	B	4 - 374	4 - 374
2	13	LYS	LYS	ASN	ASN	H	H	4 - 374	4 - 374
1	14	LYS	LYS	ASN	ASN	C	C	4 - 374	4 - 374
2	14	LYS	LYS	ASN	ASN	D	D	4 - 374	4 - 374
1	15	LYS	LYS	ASN	ASN	C	C	4 - 374	4 - 374
2	15	LYS	LYS	ASN	ASN	E	E	4 - 374	4 - 374
1	16	LYS	LYS	ASN	ASN	C	C	4 - 374	4 - 374
2	16	LYS	LYS	ASN	ASN	F	F	4 - 374	4 - 374
1	17	TYR	TYR	SER	SER	C	C	3 - 375	3 - 375
2	17	TYR	TYR	SER	SER	G	G	3 - 375	3 - 375
1	18	LYS	LYS	ASN	ASN	C	C	4 - 374	4 - 374
2	18	LYS	LYS	ASN	ASN	H	H	4 - 374	4 - 374
1	19	LYS	LYS	SER	SER	D	D	4 - 375	4 - 375
2	19	LYS	LYS	SER	SER	E	E	4 - 375	4 - 375
1	20	LYS	LYS	ASN	ASN	D	D	4 - 374	4 - 374
2	20	LYS	LYS	ASN	ASN	F	F	4 - 374	4 - 374
1	21	LYS	LYS	ASN	ASN	D	D	4 - 374	4 - 374
2	21	LYS	LYS	ASN	ASN	G	G	4 - 374	4 - 374
1	22	LYS	LYS	SER	SER	D	D	4 - 375	4 - 375
2	22	LYS	LYS	SER	SER	H	H	4 - 375	4 - 375
1	23	LYS	LYS	ASN	ASN	E	E	4 - 374	4 - 374
2	23	LYS	LYS	ASN	ASN	F	F	4 - 374	4 - 374
1	24	LYS	LYS	ASN	ASN	E	E	4 - 374	4 - 374
2	24	LYS	LYS	ASN	ASN	G	G	4 - 374	4 - 374
1	25	LYS	LYS	SER	SER	E	E	4 - 375	4 - 375
2	25	LYS	LYS	SER	SER	H	H	4 - 375	4 - 375
1	26	LYS	LYS	ASN	ASN	F	F	4 - 374	4 - 374
2	26	LYS	LYS	ASN	ASN	G	G	4 - 374	4 - 374
1	27	LYS	LYS	ASN	ASN	F	F	4 - 374	4 - 374
2	27	LYS	LYS	ASN	ASN	H	H	4 - 374	4 - 374
1	28	LYS	LYS	ASN	ASN	G	G	4 - 374	4 - 374
2	28	LYS	LYS	ASN	ASN	H	H	4 - 374	4 - 374

NCS ensembles :

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Protein , 1 types, 8 molecules ABCDEFGH

#1: Protein	Methionine adenosyltransferase Mass: 42880.602 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Ureaplasma urealyticum serovar 7 str. ATCC 27819 (bacteria) Gene: metK, UUR7_0462 / Production host: Escherichia phage EcSzw-2 (virus) / References: UniProt: B2NE58, methionine adenosyltransferase

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Non-polymers , 5 types, 170 molecules

#2: Chemical	ChemComp-K / POTASSIUM ION Mass: 39.098 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: K
#3: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: Mg
#4: Chemical	ChemComp-SAM / S-ADENOSYLMETHIONINE Mass: 398.437 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: C₁₅H₂₂N₆O₅S
#5: Chemical	ChemComp-PPK / (DIPHOSPHONO)AMINOPHOSPHONIC ACID Mass: 256.970 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: H₆NO₉P₃
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 123 / 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: 2.33 Å³/Da / Density % sol: 47.26 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.1M Mg Formate and 12% PEG 3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 0.978 Å
Detector	Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Jun 30, 2017
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.978 Å / Relative weight: 1
Reflection	Resolution: 2.55→47.78 Å / Num. obs: 100906 / % possible obs: 99.6 % / Redundancy: 6.8 % / CC_1/2: 0.996 / R_merge(I) obs: 0.076 / Net I/σ(I): 5.9
Reflection shell	Resolution: 2.55→2.6 Å / R_merge(I) obs: 0.612 / Num. unique obs: 4614 / CC_1/2: 0.64

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0158	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 6RJS

6rjs

Resolution: 2.56→47.78 Å / Cor.coef. F_o:F_c: 0.927 / Cor.coef. F_o:F_c free: 0.91 / SU B: 52.006 / SU ML: 0.473 / Cross valid method: THROUGHOUT / ESU R Free: 0.373 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.28409	4982	5 %	RANDOM
R_work	0.26016	-	-	-
obs	0.26136	95107	99.24 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 64.964 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.32 Å²	-0 Å²	3.9 Å²
2-	-	0.57 Å²	0 Å²
3-	-	-	-1.18 Å²

Refinement step

Cycle: 1 / Resolution: 2.56→47.78 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	23398	0	559	123	24080

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.018	0.019	24388
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	22534
X-RAY DIFFRACTION	r_angle_refined_deg	2.215	1.975	33062
X-RAY DIFFRACTION	r_angle_other_deg	1.202	3	52521
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.845	5	2976
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	39.354	25.604	1085
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	18.334	15	4301
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.248	15	80
X-RAY DIFFRACTION	r_chiral_restr	0.154	0.2	3767
X-RAY DIFFRACTION	r_gen_planes_refined	0.009	0.02	26712
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	4656
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	1.306	2.354	11970
X-RAY DIFFRACTION	r_mcbond_other	1.306	2.354	11970
X-RAY DIFFRACTION	r_mcangle_it	2.194	3.527	14921
X-RAY DIFFRACTION	r_mcangle_other	2.194	3.527	14922
X-RAY DIFFRACTION	r_scbond_it	1.19	2.467	12418
X-RAY DIFFRACTION	r_scbond_other	1.19	2.467	12419
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	2.018	3.654	18141
X-RAY DIFFRACTION	r_long_range_B_refined	5.299	44.534	105203
X-RAY DIFFRACTION	r_long_range_B_other	5.298	44.523	105183
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	24672	0.07
1	2	B	24672	0.07
2	1	A	24688	0.06
2	2	C	24688	0.06
3	1	A	24532	0.07
3	2	D	24532	0.07
4	1	A	24036	0.11
4	2	E	24036	0.11
5	1	A	23952	0.11
5	2	F	23952	0.11
6	1	A	23934	0.11
6	2	G	23934	0.11
7	1	A	23804	0.11
7	2	H	23804	0.11
8	1	B	24662	0.07
8	2	C	24662	0.07
9	1	B	24580	0.08
9	2	D	24580	0.08
10	1	B	24018	0.11
10	2	E	24018	0.11
11	1	B	24228	0.11
11	2	F	24228	0.11
12	1	B	23994	0.11
12	2	G	23994	0.11
13	1	B	23808	0.11
13	2	H	23808	0.11
14	1	C	24552	0.08
14	2	D	24552	0.08
15	1	C	23950	0.11
15	2	E	23950	0.11
16	1	C	23954	0.11
16	2	F	23954	0.11
17	1	C	24126	0.11
17	2	G	24126	0.11
18	1	C	23786	0.11
18	2	H	23786	0.11
19	1	D	23890	0.12
19	2	E	23890	0.12
20	1	D	23822	0.12
20	2	F	23822	0.12
21	1	D	23926	0.11
21	2	G	23926	0.11
22	1	D	23878	0.11
22	2	H	23878	0.11
23	1	E	23720	0.12
23	2	F	23720	0.12
24	1	E	23722	0.13
24	2	G	23722	0.13
25	1	E	23552	0.12
25	2	H	23552	0.12
26	1	F	23810	0.12
26	2	G	23810	0.12
27	1	F	23370	0.13
27	2	H	23370	0.13
28	1	G	23480	0.12
28	2	H	23480	0.12

LS refinement shell

Resolution: 2.556→2.622 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.385	327	-
R_work	0.384	6440	-
obs	-	-	91.53 %

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	0.9639	-0.148	-0.0185	0.8931	-0.123	0.5275	0.0772	-0.0526	-0.1009	-0.1454	0.0084	0.0993	0.0795	0.0524	-0.0856	0.6584	0.001	-0.5349	0.0544	-0.0076	0.4388	35.0264	-18.3235	46.042
2	0.8344	0.0721	-0.1057	0.6766	-0.2189	0.8102	-0.0345	-0.1041	-0.0691	0.0429	0.1114	0.0715	-0.0867	-0.0161	-0.077	0.5916	0.0306	-0.4369	0.1286	-0.0107	0.3746	38.118	-1.0169	62.0514
3	1.226	-0.0679	0.0037	1.0502	-0.1662	0.3447	-0.1372	-0.0678	0.0707	-0.1122	0.0418	0.1649	-0.1091	-0.0082	0.0954	0.7693	0.0137	-0.6689	0.0159	-0.0073	0.588	11.671	31.5568	27.4675
4	0.8078	-0.2301	0.4454	0.5291	-0.0969	0.8494	0.015	0.0224	0.032	-0.3062	-0.0139	0.1389	-0.0003	0.1429	-0.0011	0.9342	-0.0383	-0.691	0.032	0.0294	0.5296	22.73	20.2093	9.8894
5	0.6748	-0.1234	0.1856	0.4683	-0.1229	0.0785	0.0387	0.029	-0.0166	-0.0188	0.0128	0.0275	0.0583	0.0552	-0.0515	0.6297	-0.0055	-0.4931	0.6163	-0.0467	0.3922	53.6121	-15.0376	-23.2842
6	0.447	0.1611	0.0352	0.1869	0.0294	0.2977	-0.0069	0.0406	0.0237	0.0295	-0.0055	0.0019	-0.0131	-0.0062	0.0124	0.591	0.0118	-0.441	0.6165	-0.034	0.3683	56.7716	2.162	-7.2771
7	0.4493	0.5352	0.0009	1.1041	-0.2539	0.3197	-0.043	0.0251	0.0773	0.0479	0.0501	0.0865	-0.0359	0.0289	-0.0071	0.6299	0.0105	-0.5093	0.5451	-0.0153	0.4284	30.2382	34.8665	-41.657
8	0.6116	0.2047	-0.0092	0.306	-0.138	0.8635	-0.0522	-0.0051	-0.0364	-0.089	0.0241	0.0214	0.0215	0.1771	0.0281	0.6822	-0.0097	-0.5341	0.571	0.0359	0.4323	41.2002	23.5458	-59.3376

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	4 - 887
2	X-RAY DIFFRACTION	2	B	4 - 889
3	X-RAY DIFFRACTION	3	C	3 - 689
4	X-RAY DIFFRACTION	4	D	4 - 889
5	X-RAY DIFFRACTION	5	E	4 - 887
6	X-RAY DIFFRACTION	6	F	4 - 889
7	X-RAY DIFFRACTION	7	G	3 - 887
8	X-RAY DIFFRACTION	8	H	4 - 888

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