PDB-1vpx: Crystal structure of Transaldolase (EC 2.2.1.2) (TM0295) from The...

ID or keywords:

Entry

Database: PDB / ID: 1vpx

Title

Crystal structure of Transaldolase (EC 2.2.1.2) (TM0295) from Thermotoga maritima at 2.40 A resolution

Components

PROTEIN (Transaldolase (EC 2.2.1.2))

Keywords

TRANSFERASE / TM0295 / TRANSALDOLASE (EC 2.2.1.2) / Structural Genomics / Joint Center for Structural Genomics / JCSG / Protein Structure Initiative / PSI

Function / homology

Function and homology information

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

Biological species

Thermotoga maritima (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.4 Å

Authors

Joint Center for Structural Genomics (JCSG)

Citation

Journal: To be published
Title: Crystal structure of Transaldolase (EC 2.2.1.2) (TM0295) from Thermotoga maritima at 2.40 A resolution
Authors: Joint Center for Structural Genomics (JCSG)

History

Deposition	Nov 23, 2004	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 7, 2004	Provider: repository / Type: Initial release
Revision 1.1	Apr 26, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.3	Jan 25, 2023	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 20, 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.end_auth_comp_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	1vpx_validation.pdf.gz	650.5 KB	Display	wwPDB validaton report
Full document	1vpx_full_validation.pdf.gz	727.8 KB	Display
Data in XML	1vpx_validation.xml.gz	139.5 KB	Display
Data in CIF	1vpx_validation.cif.gz	189.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/vp/1vpx ftp://data.pdbj.org/pub/pdb/validation_reports/vp/1vpx	HTTPS FTP

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Related structure data

Related structure data	1l6wS S: Starting model for refinement
Similar structure data	1flo-d 4rxg-d 1p4e-d 1m6x-d 4s1f-1 6ys0-1 2h4q-2 1l6w-d 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: 282171

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: PROTEIN (Transaldolase (EC 2.2.1.2))

B: PROTEIN (Transaldolase (EC 2.2.1.2))

C: PROTEIN (Transaldolase (EC 2.2.1.2))

D: PROTEIN (Transaldolase (EC 2.2.1.2))

E: PROTEIN (Transaldolase (EC 2.2.1.2))

F: PROTEIN (Transaldolase (EC 2.2.1.2))

G: PROTEIN (Transaldolase (EC 2.2.1.2))

H: PROTEIN (Transaldolase (EC 2.2.1.2))

I: PROTEIN (Transaldolase (EC 2.2.1.2))

J: PROTEIN (Transaldolase (EC 2.2.1.2))

K: PROTEIN (Transaldolase (EC 2.2.1.2))

L: PROTEIN (Transaldolase (EC 2.2.1.2))

M: PROTEIN (Transaldolase (EC 2.2.1.2))

N: PROTEIN (Transaldolase (EC 2.2.1.2))

O: PROTEIN (Transaldolase (EC 2.2.1.2))

P: PROTEIN (Transaldolase (EC 2.2.1.2))

Q: PROTEIN (Transaldolase (EC 2.2.1.2))

R: PROTEIN (Transaldolase (EC 2.2.1.2))

S: PROTEIN (Transaldolase (EC 2.2.1.2))

T: PROTEIN (Transaldolase (EC 2.2.1.2))

hetero molecules

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

1

A: PROTEIN (Transaldolase (EC 2.2.1.2))

B: PROTEIN (Transaldolase (EC 2.2.1.2))

C: PROTEIN (Transaldolase (EC 2.2.1.2))

D: PROTEIN (Transaldolase (EC 2.2.1.2))

E: PROTEIN (Transaldolase (EC 2.2.1.2))

F: PROTEIN (Transaldolase (EC 2.2.1.2))

G: PROTEIN (Transaldolase (EC 2.2.1.2))

H: PROTEIN (Transaldolase (EC 2.2.1.2))

I: PROTEIN (Transaldolase (EC 2.2.1.2))

J: PROTEIN (Transaldolase (EC 2.2.1.2))

hetero molecules

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

2

K: PROTEIN (Transaldolase (EC 2.2.1.2))

L: PROTEIN (Transaldolase (EC 2.2.1.2))

M: PROTEIN (Transaldolase (EC 2.2.1.2))

N: PROTEIN (Transaldolase (EC 2.2.1.2))

O: PROTEIN (Transaldolase (EC 2.2.1.2))

P: PROTEIN (Transaldolase (EC 2.2.1.2))

Q: PROTEIN (Transaldolase (EC 2.2.1.2))

R: PROTEIN (Transaldolase (EC 2.2.1.2))

S: PROTEIN (Transaldolase (EC 2.2.1.2))

T: PROTEIN (Transaldolase (EC 2.2.1.2))

hetero molecules

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

Unit cell

Length a, b, c (Å)	145.298, 104.419, 171.124
Angle α, β, γ (deg.)	90.00, 108.99, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: HIS / Beg label comp-ID: HIS / Refine code: 3

Dom-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	LEU	LEU	A	A	-1 - 216	11 - 228
2	GLU	GLU	B	B	-1 - 207	11 - 219
3	GLU	GLU	C	C	0 - 207	12 - 219
4	ASP	ASP	D	D	-1 - 208	11 - 220
5	ASN	ASN	E	E	0 - 215	12 - 227
6	LEU	LEU	F	F	-1 - 216	11 - 228
7	GLU	GLU	G	G	-1 - 214	11 - 226
8	ASP	ASP	H	H	0 - 208	12 - 220
9	GLU	GLU	I	I	-1 - 214	11 - 226
10	LYS	LYS	J	J	-1 - 211	11 - 223
11	ASN	ASN	K	K	0 - 215	12 - 227
12	ASP	ASP	L	L	-1 - 208	11 - 220
13	ARG	ARG	M	M	0 - 204	12 - 216
14	MET	MET	N	N	0 - 206	12 - 218
15	ASP	ASP	O	O	-1 - 208	11 - 220
16	GLU	GLU	P	P	-1 - 207	11 - 219
17	GLU	GLU	Q	Q	-1 - 214	11 - 226
18	ASN	ASN	R	R	0 - 215	12 - 227
19	ARG	ARG	S	S	0 - 204	12 - 216
20	ASN	ASN	T	T	0 - 215	12 - 227

#1: Protein	PROTEIN (Transaldolase (EC 2.2.1.2)) Mass: 25702.881 Da / Num. of mol.: 20 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Thermotoga maritima (bacteria) / Gene: TM0295 / Plasmid: pET BL21 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9WYD1, transaldolase
#2: Chemical	... ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 21 / Source method: obtained synthetically / Formula: C₃H₈O₃
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO₄
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 103 / 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: 2.75 Å³/Da / Density % sol: 54.87 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop, nanodrop / pH: 7 Details: 30.0% 1,2-propanediol, 0.2M (NH4)2SO4, 10.0% Glycerol, 0.1M HEPES, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K, pH 7.0

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ALS / Beamline: 5.0.3 / Wavelength: 1
Detector	Type: ADSC / Detector: CCD / Date: Feb 17, 2004
Radiation	Monochromator: Single crystal, cylindrically bent, Si(220) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.4→104.19 Å / Num. obs: 162044 / % possible obs: 85.9 % / Redundancy: 2.5 % / B_iso Wilson estimate: 59 Å² / R_sym value: 0.07 / Net I/σ(I): 9.1
Reflection shell	Resolution: 2.4→2.46 Å / Redundancy: 2.1 % / Mean I/σ(I) obs: 1.3 / Num. unique all: 7812 / R_sym value: 0.581 / % possible all: 56.1

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Processing

Software

Name	Version	Classification
MOSFLM		data reduction
SCALA	CCP4 4.2	data scaling
MOLREP		phasing
REFMAC	5.2.0005	refinement
CCP4	(SCALA)	data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB entry 1L6W

1l6w

Resolution: 2.4→83.13 Å / Cor.coef. F_o:F_c: 0.953 / Cor.coef. F_o:F_c free: 0.927 / SU B: 22.491 / SU ML: 0.231 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.557 / ESU R Free: 0.289 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.24694	8140	5 %	RANDOM
R_work	0.19632	-	-	-
obs	0.19884	153845	85.87 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK

Displacement parameters

B_iso mean: 47.997 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.2 Å²	0 Å²	-0.29 Å²
2-	-	1.01 Å²	0 Å²
3-	-	-	0 Å²

Refinement step

Cycle: LAST / Resolution: 2.4→83.13 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	31669	0	131	103	31903

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.016	0.022	32347
X-RAY DIFFRACTION	r_bond_other_d	0.003	0.02	30510
X-RAY DIFFRACTION	r_angle_refined_deg	1.508	1.96	43783
X-RAY DIFFRACTION	r_angle_other_deg	0.933	3	70772
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.994	5	4148
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	39.791	24.956	1237
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	19.614	15	5634
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	21.676	15	124
X-RAY DIFFRACTION	r_chiral_restr	0.098	0.2	5146
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.02	35521
X-RAY DIFFRACTION	r_gen_planes_other	0.003	0.02	5965
X-RAY DIFFRACTION	r_nbd_refined	0.205	0.2	7629
X-RAY DIFFRACTION	r_nbd_other	0.175	0.2	33321
X-RAY DIFFRACTION	r_nbtor_other	0.09	0.2	20343
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.214	0.2	656
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.132	0.2	10
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.169	0.2	15
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.21	0.2	4
X-RAY DIFFRACTION	r_mcbond_it	1.399	3	21186
X-RAY DIFFRACTION	r_mcbond_other	0.228	3	8505
X-RAY DIFFRACTION	r_mcangle_it	2.374	5	33421
X-RAY DIFFRACTION	r_scbond_it	5.626	8	12437
X-RAY DIFFRACTION	r_scangle_it	7.925	11	10362
X-RAY DIFFRACTION	r_nbtor_refined	0.179	0.2	16148
X-RAY DIFFRACTION	r_xyhbond_nbd_other	0.188	0.2	3

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	1117	tight positional	0.05	0.05
2	B	1117	tight positional	0.05	0.05
3	C	1117	tight positional	0.06	0.05
4	D	1117	tight positional	0.05	0.05
5	E	1117	tight positional	0.06	0.05
6	F	1117	tight positional	0.05	0.05
7	G	1117	tight positional	0.06	0.05
8	H	1117	tight positional	0.05	0.05
9	I	1117	tight positional	0.05	0.05
10	J	1117	tight positional	0.06	0.05
11	K	1117	tight positional	0.04	0.05
12	L	1117	tight positional	0.04	0.05
13	M	1117	tight positional	0.04	0.05
14	N	1117	tight positional	0.05	0.05
15	O	1117	tight positional	0.05	0.05
16	P	1117	tight positional	0.05	0.05
17	Q	1117	tight positional	0.04	0.05
18	R	1117	tight positional	0.04	0.05
19	S	1117	tight positional	0.04	0.05
20	T	1117	tight positional	0.04	0.05
1	A	1476	loose positional	0.7	5
2	B	1476	loose positional	0.73	5
3	C	1476	loose positional	0.79	5
4	D	1476	loose positional	0.61	5
5	E	1476	loose positional	0.53	5
6	F	1476	loose positional	0.67	5
7	G	1476	loose positional	0.59	5
8	H	1476	loose positional	0.61	5
9	I	1476	loose positional	0.56	5
10	J	1476	loose positional	0.69	5
11	K	1476	loose positional	0.58	5
12	L	1476	loose positional	0.6	5
13	M	1476	loose positional	0.66	5
14	N	1476	loose positional	0.77	5
15	O	1476	loose positional	0.66	5
16	P	1476	loose positional	0.59	5
17	Q	1476	loose positional	0.61	5
18	R	1476	loose positional	0.77	5
19	S	1476	loose positional	0.64	5
20	T	1476	loose positional	0.7	5
1	A	1117	tight thermal	0.13	0.5
2	B	1117	tight thermal	0.13	0.5
3	C	1117	tight thermal	0.13	0.5
4	D	1117	tight thermal	0.16	0.5
5	E	1117	tight thermal	0.16	0.5
6	F	1117	tight thermal	0.13	0.5
7	G	1117	tight thermal	0.17	0.5
8	H	1117	tight thermal	0.15	0.5
9	I	1117	tight thermal	0.14	0.5
10	J	1117	tight thermal	0.14	0.5
11	K	1117	tight thermal	0.11	0.5
12	L	1117	tight thermal	0.09	0.5
13	M	1117	tight thermal	0.09	0.5
14	N	1117	tight thermal	0.09	0.5
15	O	1117	tight thermal	0.14	0.5
16	P	1117	tight thermal	0.12	0.5
17	Q	1117	tight thermal	0.1	0.5
18	R	1117	tight thermal	0.09	0.5
19	S	1117	tight thermal	0.1	0.5
20	T	1117	tight thermal	0.09	0.5
1	A	1476	loose thermal	2.54	10
2	B	1476	loose thermal	2.72	10
3	C	1476	loose thermal	2.85	10
4	D	1476	loose thermal	2.83	10
5	E	1476	loose thermal	2.87	10
6	F	1476	loose thermal	2.89	10
7	G	1476	loose thermal	2.99	10
8	H	1476	loose thermal	2.98	10
9	I	1476	loose thermal	3	10
10	J	1476	loose thermal	2.86	10
11	K	1476	loose thermal	2.63	10
12	L	1476	loose thermal	2.89	10
13	M	1476	loose thermal	2.45	10
14	N	1476	loose thermal	2.43	10
15	O	1476	loose thermal	2.67	10
16	P	1476	loose thermal	2.61	10
17	Q	1476	loose thermal	2.79	10
18	R	1476	loose thermal	2.41	10
19	S	1476	loose thermal	2.48	10
20	T	1476	loose thermal	2.55	10

LS refinement shell

Resolution: 2.4→2.462 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.326	364	4.84 %
R_work	0.283	7161	-
obs	-	-	56.21 %

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	1.7145	0.9096	0.6153	2.6201	1.7171	1.5852	0.1501	-0.6399	-0.1934	0.606	-0.1305	-0.184	0.3685	-0.0239	-0.0196	-0.0566	-0.0042	0.0296	0.0858	0.0702	-0.3	-3.6392	-11.8579	70.3083
2	2.4846	0.8418	-0.4963	1.1492	-0.4749	1.5222	0.0272	-0.4556	0.5569	0.2489	-0.0348	-0.0484	-0.2224	0.0415	0.0077	-0.1073	-0.003	-0.0057	-0.1356	-0.2289	-0.0209	0.9369	22.9753	61.8748
3	2.5884	-0.686	-1.1231	1.4505	1.4789	2.6968	0.1018	0.1297	0.7617	-0.2591	0.1278	-0.2751	-0.4487	0.271	-0.2296	-0.0613	-0.0416	0.0593	-0.2317	0.1141	-0.0241	8.3604	22.5489	27.8763
4	1.8565	-0.7875	0.1155	2.1199	-0.0936	0.7268	0.0857	0.4532	-0.0056	-0.2837	-0.1066	-0.2072	-0.0212	0.1081	0.021	-0.1937	0.0113	0.048	-0.139	-0.0179	-0.3138	8.4054	-10.6631	17.1477
5	1.539	-0.1525	0.0405	0.7878	-0.3665	2.5159	0.047	-0.0972	-0.5356	0.0359	0.0056	-0.0167	0.3211	0.0756	-0.0526	-0.1945	0.0108	0.012	-0.3219	0.0584	-0.1088	0.9601	-30.9776	42.6907
6	1.2212	0.1466	0.2893	1.8523	0.9047	1.0612	0.0651	-0.5221	-0.1629	0.3004	-0.1313	0.2928	0.1301	-0.2144	0.0662	-0.1491	-0.0298	0.1209	-0.0129	0.0362	-0.131	-36.0385	-16.1538	60.3744
7	2.0758	0.1979	0.0843	0.4772	-0.2329	3.0761	0.0251	0.0869	-0.4316	-0.0666	-0.0993	0.1383	0.3454	-0.057	0.0741	-0.2023	0.0086	0.007	-0.3236	-0.0893	-0.1062	-29.7789	-26.7643	27.6296
8	1.8919	-0.6254	0.3387	2.1247	-0.278	0.7695	0.0335	0.5534	0.1681	-0.4509	-0.0645	0.1921	-0.1123	0.0261	0.031	-0.0497	0.021	-0.0613	-0.1179	0.0965	-0.2311	-23.4179	3.5162	9.0832
9	2.2941	-0.5268	-1.4368	1.0594	0.69	2.4889	0.1531	0.2191	0.7081	-0.2492	-0.1044	0.0989	-0.3879	-0.1205	-0.0487	-0.0154	0.0274	-0.0345	-0.3531	0.0161	0.1246	-26.3163	29.1964	30.3508
10	3.2851	0.9419	-0.8057	1.351	-0.7114	1.5951	0.0766	-0.6452	0.6488	0.2356	-0.0053	0.4184	-0.2069	-0.1203	-0.0713	-0.1133	0.0258	0.0925	-0.0449	-0.255	-0.0506	-33.9214	16.9594	62.493
11	1.7136	0.1466	0.34	2.241	-0.2276	1.1358	-0.2258	0.5569	0.0227	-0.5956	0.0856	0.184	-0.1409	0.1124	0.1403	-0.0131	-0.0384	-0.1115	0.0731	-0.066	-0.1527	48.3007	-14.6718	10.6124
12	1.9307	-0.8293	-0.2566	2.5612	0.9063	1.029	-0.1395	0.3193	0.5816	-0.7004	-0.0884	0.1183	-0.5315	-0.1305	0.2279	0.338	0.018	-0.3416	-0.0567	0.131	0.2142	50.7368	20.7184	18.5643
13	2.328	0.0959	-0.6226	0.9329	0.2874	1.5958	-0.1508	-0.3851	0.7026	0.0633	-0.1276	0.3443	-0.3732	-0.1387	0.2783	0.0685	0.2118	-0.2406	0.0478	-0.3354	0.3232	41.3961	22.7974	52.114
14	1.9623	1.6344	0.5822	3.731	0.8265	0.6298	0.0535	-0.7462	0.2897	0.6366	-0.3738	0.7636	0.0197	-0.5	0.3203	0.0251	0.1143	0.1444	0.4319	-0.1877	0.03	34.1521	-8.5693	63.049
15	2.0716	0.5387	0.9877	1.232	0.5832	2.9366	0.0506	-0.3253	-0.4528	0.1969	-0.0297	0.1701	0.2713	-0.1595	-0.021	-0.2199	0.0672	0.0399	-0.1351	-0.033	-0.0225	38.2091	-30.9738	37.7811
16	1.9401	-0.2284	0.3781	1.2341	-0.3394	1.213	-0.0137	0.3303	-0.2879	-0.1875	0.1195	-0.2138	0.0568	0.1445	-0.1058	-0.1897	0.0086	0.0297	-0.0318	-0.1001	-0.0338	77.6718	-27.5088	25.2176
17	1.9954	-0.0392	1.1522	1.4623	0.6917	3.4539	0.0287	-0.4092	-0.4468	0.4317	0.1402	-0.1933	0.378	-0.0359	-0.1689	-0.0462	0.0955	-0.0555	-0.0244	0.1183	-0.0316	67.9183	-31.6197	56.2306
18	1.9681	1.094	0.5517	3.4306	0.1579	1.0636	-0.0232	-0.6709	0.0788	0.7837	-0.157	-0.2084	0.0669	-0.0731	0.1802	0.1625	0.172	-0.1395	0.2992	-0.1277	-0.1528	66.9545	-1.746	73.061
19	2.1262	0.2616	-1.1435	1.3799	-0.1918	1.453	-0.0088	-0.2565	0.627	0.0059	0.1041	-0.1858	-0.2941	0.085	-0.0952	0.0075	0.0197	-0.1679	-0.0265	-0.1671	0.2029	77.5202	23.7192	49.3414
20	1.7314	-0.8755	-0.3245	2.9029	1.4032	1.5371	-0.1025	0.3731	0.4422	-0.5707	0.2153	-0.6184	-0.4336	0.2976	-0.1128	0.0966	-0.1553	0.0397	0.0992	0.0423	0.0704	82.9072	7.7559	21.7481

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION / Selection: ALL

ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	A	A	-1 - 216	11 - 228
2	2	B	B	-1 - 207	11 - 219
3	3	C	C	0 - 207	12 - 219
4	4	D	D	-1 - 208	11 - 220
5	5	E	E	0 - 215	12 - 227
6	6	F	F	-1 - 216	11 - 228
7	7	G	G	-1 - 214	11 - 226
8	8	H	H	0 - 208	12 - 220
9	9	I	I	-1 - 214	11 - 226
10	10	J	J	-1 - 211	11 - 223
11	11	K	K	0 - 215	12 - 227
12	12	L	L	-1 - 208	11 - 220
13	13	M	M	0 - 204	12 - 216
14	14	N	N	0 - 206	12 - 218
15	15	O	O	-1 - 208	11 - 220
16	16	P	P	-1 - 207	11 - 219
17	17	Q	Q	-1 - 214	11 - 226
18	18	R	R	0 - 215	12 - 227
19	19	S	S	0 - 204	12 - 216
20	20	T	T	0 - 215	12 - 227

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