PDB-3r8r: Transaldolase from Bacillus subtilis

ID or keywords:

Entry

Database: PDB / ID: 3r8r

Title

Transaldolase from Bacillus subtilis

Components

Transaldolase

Keywords

TRANSFERASE / transaldolase / pentose phosphate pathway / Schiff Bases

Function / homology

Function and homology information

transaldolase / transaldolase activity / aldehyde-lyase activity / pentose-phosphate shunt / carbohydrate metabolic process / identical protein binding / cytoplasm
Similarity search - Function

Biological species

Bacillus subtilis (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.9 Å

Authors

Schneider, G. / Sandalova, T. / Samland, A.

Citation

Journal: Febs J. / Year: 2012
Title: Conservation of structure and mechanism within the transaldolase enzyme family.
Authors: Samland, A.K. / Baier, S. / Schurmann, M. / Inoue, T. / Huf, S. / Schneider, G. / Sprenger, G.A. / Sandalova, T.

History

Deposition	Mar 24, 2011	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 8, 2012	Provider: repository / Type: Initial release
Revision 1.1	Mar 21, 2012	Group: Database references
Revision 1.2	Mar 7, 2018	Group: Data collection / Category: diffrn_source / Item: _diffrn_source.pdbx_synchrotron_site
Revision 1.3	Jan 29, 2020	Group: Advisory / Derived calculations Category: pdbx_distant_solvent_atoms / pdbx_struct_assembly ...pdbx_distant_solvent_atoms / pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop Item: _pdbx_struct_assembly.oligomeric_count / _pdbx_struct_assembly.oligomeric_details ..._pdbx_struct_assembly.oligomeric_count / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_assembly_prop.value
Revision 1.4	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_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_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	3r8r.cif.gz	1.5 MB	Display	PDBx/mmCIF format
PDB format	pdb3r8r.ent.gz	1.3 MB	Display	PDB format
PDBx/mmJSON format	3r8r.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	3r8r_validation.pdf.gz	618.4 KB	Display	wwPDB validaton report
Full document	3r8r_full_validation.pdf.gz	676.1 KB	Display
Data in XML	3r8r_validation.xml.gz	182.8 KB	Display
Data in CIF	3r8r_validation.cif.gz	256.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/r8/3r8r ftp://data.pdbj.org/pub/pdb/validation_reports/r8/3r8r	HTTPS FTP

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Related structure data

Related structure data	3r5eC 1l6wS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	3r8r-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: Transaldolase

B: Transaldolase

C: Transaldolase

D: Transaldolase

E: Transaldolase

F: Transaldolase

G: Transaldolase

H: Transaldolase

I: Transaldolase

J: Transaldolase

V: Transaldolase

K: Transaldolase

L: Transaldolase

M: Transaldolase

N: Transaldolase

W: Transaldolase

P: Transaldolase

R: Transaldolase

T: Transaldolase

U: Transaldolase

hetero molecules

463 kDa, 20 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Transaldolase

B: Transaldolase

C: Transaldolase

D: Transaldolase

E: Transaldolase

F: Transaldolase

G: Transaldolase

H: Transaldolase

I: Transaldolase

J: Transaldolase

hetero molecules

defined by author&software
231 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

V: Transaldolase

K: Transaldolase

L: Transaldolase

M: Transaldolase

N: Transaldolase

W: Transaldolase

P: Transaldolase

R: Transaldolase

T: Transaldolase

U: Transaldolase

hetero molecules

defined by author&software
231 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	143.299, 127.280, 158.448
Angle α, β, γ (deg.)	90.00, 98.10, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: 1 / End auth comp-ID: LYS / End label comp-ID: LYS

Dom-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	Refine code	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	MET	MET	5	A	A	1 - 212	1 - 212
2	1	MET	MET	5	B	B	1 - 212	1 - 212
3	1	MET	MET	5	U	T	1 - 212	1 - 212
4	1	MET	MET	5	T	S	1 - 212	1 - 212
5	1	MET	MET	5	E	E	1 - 212	1 - 212
6	1	MET	MET	5	F	F	1 - 212	1 - 212
7	1	MET	MET	5	G	G	1 - 212	1 - 212
8	1	MET	MET	5	H	H	1 - 212	1 - 212
9	1	MET	MET	5	I	I	1 - 212	1 - 212
10	1	MET	MET	5	R	R	1 - 212	1 - 212
11	1	MET	MET	5	K	L	1 - 212	1 - 212
12	1	MET	MET	5	L	M	1 - 212	1 - 212
13	1	MET	MET	5	M	N	1 - 212	1 - 212
14	1	MET	MET	5	W	P	1 - 212	1 - 212
15	1	MET	MET	5	V	K	1 - 212	1 - 212
1	2	HIS	HIS	2	C	C	41 - 212	41 - 212
2	2	HIS	HIS	2	D	D	41 - 212	41 - 212
3	2	HIS	HIS	2	J	J	41 - 212	41 - 212
4	2	HIS	HIS	2	N	O	41 - 212	41 - 212
5	2	HIS	HIS	2	P	Q	41 - 212	41 - 212

NCS ensembles :

ID
1
2

#1: Protein	Transaldolase / 20 kDa phosphoprotein orfU / CSI9 Mass: 23000.453 Da / Num. of mol.: 20 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus subtilis (bacteria) / Gene: BSU37110, tal, ywjH / Production host: Escherichia coli (E. coli) / References: UniProt: P19669, transaldolase
#2: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C₃H₈O₃
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 20 / Source method: obtained synthetically / Formula: SO₄
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 3397 / 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: 3.11 Å³/Da / Density % sol: 60.45 %
Crystal grow	Temperature: 293 K / pH: 9 Details: 20% PEG 4K, 0.2M of Li2SO4, 20% of glycerol, 100 mM Tris/HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: MAX II / Beamline: I711 / Wavelength: 1.092
Detector	Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Nov 13, 2004
Radiation	Monochromator: SI 111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.092 Å / Relative weight: 1
Reflection	Resolution: 1.9→69 Å / Num. obs: 441576 / % possible obs: 100 % / Observed criterion σ(I): 0 / Redundancy: 3.5 % / R_merge(I) obs: 0.087 / Net I/σ(I): 10.6
Reflection shell	Resolution: 1.9→2 Å / Redundancy: 3.4 % / R_merge(I) obs: 0.525 / Mean I/σ(I) obs: 2.4 / % possible all: 99.9

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Processing

Software

Name	Version	Classification
MxCuBE		data collection
MOLREP		phasing
REFMAC	5.5.0109	refinement
MOSFLM		data reduction
SCALA		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1L6W

1l6w

Resolution: 1.9→58.93 Å / Cor.coef. F_o:F_c: 0.951 / Cor.coef. F_o:F_c free: 0.937 / SU B: 6.34 / SU ML: 0.094 / Cross valid method: THROUGHOUT / ESU R: 0.139 / ESU R Free: 0.129 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.229	22163	5 %	RANDOM
R_work	0.2	-	-	-
obs	0.202	419370	100 %	-
all	-	419370	-	-

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: 27.3 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.15 Å²	0 Å²	0.07 Å²
2-	-	0.13 Å²	0 Å²
3-	-	-	0.04 Å²

Refinement step

Cycle: LAST / Resolution: 1.9→58.93 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	31905	0	160	3397	35462

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.01	0.022	32504
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	21248
X-RAY DIFFRACTION	r_angle_refined_deg	1.131	1.969	44071
X-RAY DIFFRACTION	r_angle_other_deg	0.887	3	52428
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.429	5	4167
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	38.43	25.03	1326
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.589	15	5728
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	11.825	15	160
X-RAY DIFFRACTION	r_chiral_restr	0.069	0.2	5366
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.02	35709
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	5863
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	0.504	1.5	20790
X-RAY DIFFRACTION	r_mcbond_other	0.134	1.5	8513
X-RAY DIFFRACTION	r_mcangle_it	0.954	2	33540
X-RAY DIFFRACTION	r_scbond_it	1.458	3	11714
X-RAY DIFFRACTION	r_scangle_it	2.494	4.5	10531
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

Ens-ID	Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
2	1	C	1014	tight positional	0.03	0.05
2	2	D	1014	tight positional	0.02	0.05
2	3	J	1014	tight positional	0.02	0.05
2	4	N	1014	tight positional	0.02	0.05
2	5	P	1014	tight positional	0.03	0.05
1	1	A	1238	medium positional	0.08	0.5
1	2	B	1238	medium positional	0.13	0.5
1	3	U	1238	medium positional	0.09	0.5
1	4	T	1238	medium positional	0.13	0.5
1	5	E	1238	medium positional	0.09	0.5
1	6	F	1238	medium positional	0.1	0.5
1	7	G	1238	medium positional	0.09	0.5
1	8	H	1238	medium positional	0.18	0.5
1	9	I	1238	medium positional	0.11	0.5
1	10	R	1238	medium positional	0.14	0.5
1	11	K	1238	medium positional	0.09	0.5
1	12	L	1238	medium positional	0.14	0.5
1	13	M	1238	medium positional	0.12	0.5
1	14	W	1238	medium positional	0.1	0.5
1	15	V	1238	medium positional	0.11	0.5
2	1	C	1174	medium positional	0.02	0.5
2	2	D	1174	medium positional	0.02	0.5
2	3	J	1174	medium positional	0.02	0.5
2	4	N	1174	medium positional	0.02	0.5
2	5	P	1174	medium positional	0.02	0.5
1	1	A	1423	loose positional	0.16	5
1	2	B	1423	loose positional	0.19	5
1	3	U	1423	loose positional	0.17	5
1	4	T	1423	loose positional	0.2	5
1	5	E	1423	loose positional	0.15	5
1	6	F	1423	loose positional	0.17	5
1	7	G	1423	loose positional	0.16	5
1	8	H	1423	loose positional	0.25	5
1	9	I	1423	loose positional	0.18	5
1	10	R	1423	loose positional	0.2	5
1	11	K	1423	loose positional	0.17	5
1	12	L	1423	loose positional	0.21	5
1	13	M	1423	loose positional	0.18	5
1	14	W	1423	loose positional	0.18	5
1	15	V	1423	loose positional	0.17	5
2	1	C	1014	tight thermal	0.32	0.5
2	2	D	1014	tight thermal	0.12	0.5
2	3	J	1014	tight thermal	0.1	0.5
2	4	N	1014	tight thermal	0.09	0.5
2	5	P	1014	tight thermal	0.11	0.5
1	1	A	1238	medium thermal	0.37	2
1	2	B	1238	medium thermal	0.3	2
1	3	U	1238	medium thermal	0.46	2
1	4	T	1238	medium thermal	0.39	2
1	5	E	1238	medium thermal	0.44	2
1	6	F	1238	medium thermal	0.31	2
1	7	G	1238	medium thermal	0.48	2
1	8	H	1238	medium thermal	0.48	2
1	9	I	1238	medium thermal	0.31	2
1	10	R	1238	medium thermal	0.31	2
1	11	K	1238	medium thermal	0.35	2
1	12	L	1238	medium thermal	0.34	2
1	13	M	1238	medium thermal	0.5	2
1	14	W	1238	medium thermal	0.34	2
1	15	V	1238	medium thermal	0.4	2
2	1	C	1174	medium thermal	0.22	2
2	2	D	1174	medium thermal	0.08	2
2	3	J	1174	medium thermal	0.09	2
2	4	N	1174	medium thermal	0.07	2
2	5	P	1174	medium thermal	0.09	2
1	1	A	1423	loose thermal	0.39	10
1	2	B	1423	loose thermal	0.37	10
1	3	U	1423	loose thermal	0.45	10
1	4	T	1423	loose thermal	0.41	10
1	5	E	1423	loose thermal	0.44	10
1	6	F	1423	loose thermal	0.35	10
1	7	G	1423	loose thermal	0.44	10
1	8	H	1423	loose thermal	0.49	10
1	9	I	1423	loose thermal	0.35	10
1	10	R	1423	loose thermal	0.37	10
1	11	K	1423	loose thermal	0.35	10
1	12	L	1423	loose thermal	0.34	10
1	13	M	1423	loose thermal	0.45	10
1	14	W	1423	loose thermal	0.4	10
1	15	V	1423	loose thermal	0.42	10

LS refinement shell

Resolution: 1.9→1.95 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.339	1670	-
R_work	0.311	30813	-
obs	-	-	99.99 %

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	0.1318	-0.1089	0.1147	0.7714	-0.4979	1.0622	0.023	0.0359	-0.0981	-0.0647	0.0317	-0.0717	0.1522	0.0855	-0.0548	0.0425	0.0364	-0.0079	0.0488	-0.0398	0.1153	55.255	-25.725	-8.443
2	0.2749	-0.102	0.1955	0.73	0.1	0.2609	-0.0219	-0.0849	-0.0676	0.2774	0.0546	-0.0183	0.0073	-0.0655	-0.0326	0.1896	0.0366	-0.0415	0.0705	0.0316	0.0422	49.528	-17.777	24.889
3	0.2072	0.1656	-0.1438	1.939	-0.4164	0.245	-0.0296	-0.0758	0.0173	0.4903	0.0062	-0.1432	-0.0601	0.0037	0.0234	0.1996	0.0285	-0.0733	0.0811	-0.0223	0.0315	47.908	16.57	27.605
4	0.6313	0.0964	-0.3426	0.2757	-0.1166	0.8202	-0.0382	0.0251	0.1557	0.0331	0.0338	-0.0286	-0.1237	-0.0073	0.0043	0.0496	-0.02	-0.035	0.0383	0.0059	0.0655	52.827	29.864	-3.461
5	0.4222	0.0169	0.0075	1.2517	0.1697	0.3908	-0.0445	0.0731	-0.0395	-0.1713	0.0723	-0.1296	-0.0292	0.0844	-0.0278	0.0612	-0.043	0.0464	0.1055	-0.0259	0.0366	57.443	4.074	-26.133
6	0.574	-0.1039	0.2071	0.6742	-0.1817	0.6144	0.0538	0.0651	-0.1617	-0.0813	-0.0023	0.1717	0.0156	0.0469	-0.0514	0.0503	-0.012	-0.0505	0.0421	-0.0323	0.1141	23.256	-20.751	-23.301
7	0.2725	-0.164	0.1581	1.5089	0.4125	0.3398	-0.0472	0.0551	0.0306	-0.2791	-0.0043	0.1459	-0.094	-0.0018	0.0514	0.129	-0.0193	-0.0694	0.0705	0.0148	0.0376	23.198	13.475	-29.002
8	0.4632	-0.0463	-0.3919	0.3861	0.1394	0.6599	0.0042	-0.063	0.1483	0.0103	0.0104	0.146	-0.0629	0.0424	-0.0147	0.0321	0.0286	-0.0092	0.0463	-0.0225	0.1308	17.165	29.157	1.435
9	0.573	-0.0956	-0.084	1.2213	-0.0186	0.3195	-0.0862	-0.1846	-0.073	0.3186	0.0201	0.2784	0.0391	-0.0898	0.066	0.1556	0.0277	0.1362	0.1586	0.0136	0.123	14.16	5.119	25.934
10	0.3258	0.0642	0.2373	1.0577	0.9347	1.3764	0.0093	-0.1109	-0.1965	0.3848	-0.0073	0.2807	0.2949	-0.1313	-0.002	0.1741	-0.0271	0.1187	0.0858	0.0937	0.2549	17.4	-25.832	10.625
11	0.5743	0.0557	-0.0699	0.9022	0.0157	0.3902	-0.036	0.0877	-0.0309	-0.1033	0.0278	-0.0997	0.0026	0.0861	0.0083	0.0506	-0.0267	0.0432	0.1251	-0.0138	0.0378	46.352	-61.067	52.519
12	0.1264	-0.0183	0.1765	0.6038	-0.6474	1.0147	0.0357	0.0562	-0.1198	-0.1409	-0.0021	-0.0852	0.1785	0.118	-0.0336	0.0818	0.0592	-0.0006	0.1014	-0.0299	0.1414	43.235	-91.445	69.388
13	0.6781	0.0104	0.0694	0.7785	0.2251	0.4609	0.0702	-0.1072	-0.1059	0.1596	-0.027	-0.0837	-0.0229	-0.0531	-0.0433	0.1121	0.0074	-0.0423	0.0714	0.055	0.0644	37.423	-84.562	102.924
14	0.3136	0.3109	0.0478	1.5957	-0.4024	0.2176	-0.0383	-0.1267	0.0055	0.3231	-0.0231	-0.1282	-0.0832	-0.0393	0.0615	0.1756	0.0351	-0.0428	0.1232	-0.0205	0.0522	37.294	-50.049	106.552
15	0.8256	0.1697	-0.4964	0.1214	-0.1872	0.9056	0.0118	0.0645	0.1825	0.0287	0.0152	0.0127	-0.1427	-0.0249	-0.027	0.0507	-0.0343	-0.0174	0.0648	0.0191	0.0858	42.837	-35.715	75.627
16	0.1892	-0.1417	0.1146	1.4906	0.4466	0.3495	-0.049	0.0476	0.0395	-0.2433	-0.0003	0.1136	-0.0932	0.0018	0.0492	0.1135	-0.021	-0.0634	0.0732	0.0277	0.0409	12.449	-50.598	49.848
17	0.4923	-0.2289	-0.6025	0.1479	0.3002	1.0761	0.0396	-0.0778	0.1386	-0.0328	0.0259	-0.0024	-0.1534	0.0423	-0.0655	0.0576	0.019	-0.0218	0.0786	-0.0262	0.1595	6.948	-35.346	80.689
18	0.522	0.0018	0.0501	1.6569	0.0724	0.3579	-0.0351	-0.1276	-0.0252	0.2236	0.0105	0.1886	0.0061	-0.0857	0.0245	0.1082	0.0334	0.1054	0.1473	0.027	0.1047	2.911	-60.148	104.553
19	0.1172	0.1478	0.2765	0.7779	0.7323	1.1324	0.0549	-0.0806	-0.0813	0.2273	-0.0216	0.1693	0.1861	-0.1035	-0.0334	0.0902	-0.0336	0.0456	0.0987	0.0752	0.1912	5.32	-90.75	88.096
20	0.3488	0.0032	0.1967	0.6385	-0.2236	0.5966	0.0284	0.0474	-0.0691	-0.0756	0.0482	0.0917	0.0109	0.0466	-0.0765	0.0571	-0.022	-0.0518	0.047	-0.0103	0.0737	11.318	-84.938	54.371

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 212
2	X-RAY DIFFRACTION	2	B	1 - 212
3	X-RAY DIFFRACTION	3	C	1 - 220
4	X-RAY DIFFRACTION	4	D	1 - 212
5	X-RAY DIFFRACTION	5	E	1 - 212
6	X-RAY DIFFRACTION	6	F	1 - 212
7	X-RAY DIFFRACTION	7	G	1 - 212
8	X-RAY DIFFRACTION	8	H	1 - 212
9	X-RAY DIFFRACTION	9	I	1 - 212
10	X-RAY DIFFRACTION	10	J	1 - 212
11	X-RAY DIFFRACTION	11	V	1 - 212
12	X-RAY DIFFRACTION	12	K	1 - 212
13	X-RAY DIFFRACTION	13	L	1 - 212
14	X-RAY DIFFRACTION	14	M	1 - 212
15	X-RAY DIFFRACTION	15	N	1 - 212
16	X-RAY DIFFRACTION	16	W	1 - 212
17	X-RAY DIFFRACTION	17	P	1 - 212
18	X-RAY DIFFRACTION	18	R	1 - 212
19	X-RAY DIFFRACTION	19	T	1 - 212
20	X-RAY DIFFRACTION	20	U	1 - 212

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