PDB-3iwu: Crystal structure of Y116T/I16A double mutant of 5-hydroxyisourat...

ID or keywords:

Entry

Database: PDB / ID: 3iwu

Title

Crystal structure of Y116T/I16A double mutant of 5-hydroxyisourate hydrolase

Components

5-hydroxyisourate hydrolase

Keywords

HYDROLASE / HIUase / Transthyretin / TRP / thyroid hormones / molecular evolution / Peroxisome / Purine metabolism

Function / homology

Function and homology information

hydroxyisourate hydrolase / hydroxyisourate hydrolase activity / urate catabolic process / hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides / purine nucleobase metabolic process / peroxisome
Similarity search - Function

Biological species

Danio rerio (zebrafish)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.3 Å

Authors

Cendron, L. / Ramazzina, I. / Berni, R. / Percudani, R. / Zanotti, G.

Citation

Journal: J.Mol.Biol. / Year: 2011
Title: Probing the evolution of hydroxyisourate hydrolase into transthyretin through active-site redesign.
Authors: Cendron, L. / Ramazzina, I. / Percudani, R. / Rasore, C. / Zanotti, G. / Berni, R.

History

Deposition	Sep 3, 2009	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Sep 1, 2010	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Jan 1, 2020	Group: Database references / Category: citation / struct_ref_seq_dif Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title / _struct_ref_seq_dif.details
Revision 1.3	Nov 1, 2023	Group: Data collection / Database references / 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 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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3iwu.cif.gz	204.8 KB	Display	PDBx/mmCIF format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/iw/3iwu ftp://data.pdbj.org/pub/pdb/validation_reports/iw/3iwu	HTTPS FTP

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Related structure data

Related structure data	3iwvC 3q1eC 2h1xS 2h6u S: Starting model for refinement C: citing same article (ref.)
Similar structure data	3iwv-d 3efe-d 3q1e-d 2h1x-d 2h6u-2 5ttr-1 4det-1 3esn-1 1etb-2 3mx3-2 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
Related items in Molecule of the Month	#189 - Sep 2015 Amyloids similarity (7) #37 - Jan 2003 Serum Albumin similarity (7)

Deposited unit

A: 5-hydroxyisourate hydrolase

B: 5-hydroxyisourate hydrolase

C: 5-hydroxyisourate hydrolase

D: 5-hydroxyisourate hydrolase

E: 5-hydroxyisourate hydrolase

F: 5-hydroxyisourate hydrolase

G: 5-hydroxyisourate hydrolase

H: 5-hydroxyisourate hydrolase

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

1

A: 5-hydroxyisourate hydrolase

B: 5-hydroxyisourate hydrolase

C: 5-hydroxyisourate hydrolase

D: 5-hydroxyisourate hydrolase

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

2

E: 5-hydroxyisourate hydrolase

F: 5-hydroxyisourate hydrolase

G: 5-hydroxyisourate hydrolase

H: 5-hydroxyisourate hydrolase

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

Unit cell

Length a, b, c (Å)	64.580, 66.592, 236.757
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

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:

Ens-ID: 1 / Refine code: 5

Dom-ID	Component-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	SER	SER	ASP	ASP	A	A	7 - 33	26 - 52
2	1	SER	SER	ASP	ASP	B	B	7 - 33	26 - 52
3	1	SER	SER	ASP	ASP	C	C	7 - 33	26 - 52
4	1	SER	SER	ASP	ASP	D	D	7 - 33	26 - 52
5	1	SER	SER	ASP	ASP	E	E	7 - 33	26 - 52
6	1	SER	SER	ASP	ASP	F	F	7 - 33	26 - 52
7	1	SER	SER	ASP	ASP	G	G	7 - 33	26 - 52
8	1	SER	SER	ASP	ASP	H	H	7 - 33	26 - 52
1	2	THR	THR	PRO	PRO	A	A	44 - 54	63 - 73
2	2	THR	THR	PRO	PRO	B	B	44 - 54	63 - 73
3	2	THR	THR	PRO	PRO	C	C	44 - 54	63 - 73
4	2	THR	THR	PRO	PRO	D	D	44 - 54	63 - 73
5	2	THR	THR	PRO	PRO	E	E	44 - 54	63 - 73
6	2	THR	THR	PRO	PRO	F	F	44 - 54	63 - 73
7	2	THR	THR	PRO	PRO	G	G	44 - 54	63 - 73
8	2	THR	THR	PRO	PRO	H	H	44 - 54	63 - 73
1	3	PHE	PHE	THR	THR	A	A	62 - 115	81 - 134
2	3	PHE	PHE	THR	THR	B	B	62 - 115	81 - 134
3	3	PHE	PHE	THR	THR	C	C	62 - 115	81 - 134
4	3	PHE	PHE	THR	THR	D	D	62 - 115	81 - 134
5	3	PHE	PHE	THR	THR	E	E	62 - 115	81 - 134
6	3	PHE	PHE	THR	THR	F	F	62 - 115	81 - 134
7	3	PHE	PHE	THR	THR	G	G	62 - 115	81 - 134
8	3	PHE	PHE	THR	THR	H	H	62 - 115	81 - 134

#1: Protein	5-hydroxyisourate hydrolase / HIU hydrolase / HIUHase / Transthyretin-related protein Mass: 15399.574 Da / Num. of mol.: 8 / Mutation: Y116T, I16A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Danio rerio (zebrafish) / Gene: urah / Plasmid: pET28b-HIUase / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q06S87, hydroxyisourate hydrolase
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 636 / Source method: isolated from a natural source / Formula: H₂O

#1: Protein

5-hydroxyisourate hydrolase / HIU hydrolase / HIUHase / Transthyretin-related protein

Mass: 15399.574 Da / Num. of mol.: 8 / Mutation: Y116T, I16A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Danio rerio (zebrafish) / Gene: urah / Plasmid: pET28b-HIUase / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q06S87, hydroxyisourate hydrolase

#2: Water

ChemComp-HOH / water

Mass: 18.015 Da / Num. of mol.: 636 / 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: 2.07 Å³/Da / Density % sol: 40.47 %
Crystal grow	Temperature: 278 K / Method: vapor diffusion / pH: 7.5 Details: 0.1M HEPES, 20% PEG10,000, pH7.5, VAPOR DIFFUSION, temperature 278K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-4 / Wavelength: 0.983 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Apr 25, 2009
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.983 Å / Relative weight: 1
Reflection	Resolution: 2.3→66.52 Å / Num. all: 46362 / Num. obs: 46362 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 6.9 % / R_merge(I) obs: 0.158 / Net I/σ(I): 9.3
Reflection shell	Resolution: 2.3→2.42 Å / Redundancy: 7.2 % / R_merge(I) obs: 0.446 / Mean I/σ(I) obs: 6 / Num. unique all: 6632 / % possible all: 100

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Processing

Software

Name	Version	Classification
ADSC	Quantum	data collection
MOLREP		phasing
REFMAC	5.5.0072	refinement
MOSFLM		data reduction
SCALA		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2H1X

2h1x

Resolution: 2.3→66.5 Å / Cor.coef. F_o:F_c: 0.934 / Cor.coef. F_o:F_c free: 0.89 / SU B: 12.52 / SU ML: 0.142 / Cross valid method: THROUGHOUT / ESU R: 0.322 / ESU R Free: 0.239 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.24283	2348	5.1 %	RANDOM
R_work	0.17711	-	-	-
all	0.18035	46362	-	-
obs	0.18035	44005	99.77 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK

Displacement parameters

B_iso mean: 21.09 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.12 Å²	0 Å²	0 Å²
2-	-	-0.54 Å²	0 Å²
3-	-	-	0.66 Å²

Refinement step

Cycle: LAST / Resolution: 2.3→66.5 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7144	0	0	636	7780

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.021	0.022	7336
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.784	1.945	10024
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.323	5	904
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	32.048	22.895	304
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.574	15	1120
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	28.446	15	40
X-RAY DIFFRACTION	r_chiral_restr	0.116	0.2	1152
X-RAY DIFFRACTION	r_gen_planes_refined	0.009	0.021	5568
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	0.932	1.5	4536
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	1.808	2	7392
X-RAY DIFFRACTION	r_scbond_it	3.092	3	2800
X-RAY DIFFRACTION	r_scangle_it	4.884	4.5	2632
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

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

Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
A	368	medium positional	0.13	0.5
B	368	medium positional	0.15	0.5
C	368	medium positional	0.13	0.5
D	368	medium positional	0.1	0.5
E	368	medium positional	0.15	0.5
F	368	medium positional	0.15	0.5
G	368	medium positional	0.11	0.5
H	368	medium positional	0.12	0.5
A	359	loose positional	0.31	5
B	359	loose positional	0.4	5
C	359	loose positional	0.3	5
D	359	loose positional	0.26	5
E	359	loose positional	0.32	5
F	359	loose positional	0.41	5
G	359	loose positional	0.31	5
H	359	loose positional	0.33	5
A	368	medium thermal	1.11	2
B	368	medium thermal	1.28	2
C	368	medium thermal	0.97	2
D	368	medium thermal	0.93	2
E	368	medium thermal	1.22	2
F	368	medium thermal	0.9	2
G	368	medium thermal	1.17	2
H	368	medium thermal	0.96	2
A	359	loose thermal	1.38	10
B	359	loose thermal	1.5	10
C	359	loose thermal	1.27	10
D	359	loose thermal	1.14	10
E	359	loose thermal	1.4	10
F	359	loose thermal	1.31	10
G	359	loose thermal	1.39	10
H	359	loose thermal	1.43	10

LS refinement shell

Resolution: 2.3→2.36 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.275	163	-
R_work	0.179	3169	-
obs	-	-	100 %

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	1.6787	0.5399	-0.3494	1.9447	-0.4317	0.931	-0.0123	0.0565	0.0475	-0.0955	0.0091	-0.0553	-0.0401	0.0394	0.0032	0.0287	0.0238	0.0034	0.0475	-0.0087	0.033	27.0679	-0.3691	-63.4296
2	4.6444	1.4765	0.1716	6.0352	0.0867	3.5298	0.0129	0.3149	0.0848	-0.1803	0.0499	-0.4098	0.0165	0.4216	-0.0629	0.0569	0.0098	0.0059	0.0701	0.0014	0.0384	30.8012	10.3051	-66.6609
3	1.2981	0.2927	-0.3003	1.3968	-0.2188	0.9021	0.0127	-0.0149	-0.0525	-0.0232	0.0084	-0.1177	0.0149	-0.0011	-0.0211	0.0237	0.004	0.0044	0.0527	0.0078	0.0407	20.2288	-0.5264	-62.1918
4	1.0867	1.1331	-0.0517	3.0589	1.2125	3.2492	0.1203	-0.1702	-0.0765	0.0221	-0.1605	-0.2839	-0.0241	0.0812	0.0402	0.0418	0.0106	0.0044	0.0664	0.0091	0.0947	16.143	-0.5797	-55.7328
5	0.9949	-0.4104	-0.1467	0.7739	0.6505	1.7216	-0.0008	-0.0007	0.0038	-0.0407	-0.0503	-0.0102	-0.011	-0.1826	0.0511	0.0422	0.0117	0.0024	0.0457	0.0057	0.0096	3.1909	7.6324	-66.645
6	2.0202	0.0823	-0.0938	5.1645	3.1251	3.9539	0.0569	0.0482	-0.009	-0.2567	-0.262	0.3732	-0.2063	-0.5785	0.205	0.0179	0.0167	-0.0212	0.1226	-0.0061	0.0305	-2.2968	3.1603	-68.067
7	1.4867	0.7109	0.1387	1.9914	0.2766	1.6726	-0.0343	0.0128	0.0251	-0.0523	0.0306	0.0627	0.0044	-0.0762	0.0037	0.0318	0.0181	-0.0031	0.0631	0.0129	0.025	8.0294	7.5081	-62.6395
8	0.7623	-0.2968	-0.1833	3.3237	0.0895	2.6211	-0.0469	-0.1262	-0.0001	-0.0334	-0.1281	0.2947	0.0797	-0.2192	0.175	0.0487	0.0302	-0.0041	0.0939	-0.0138	0.0589	10.518	5.7523	-56.0237
9	1.7003	-0.399	-0.3291	2.0784	1.4946	2.7888	0.0182	-0.1493	0.0664	0.148	-0.0544	0.0668	-0.1085	-0.142	0.0363	0.0603	-0.0263	0.0024	0.0685	0.0001	0.0152	-2.8505	-0.6016	-38.1729
10	7.4564	-3.3452	0.9033	3.9555	0.4382	7.1911	0.1868	-0.4428	0.0552	0.3873	-0.171	0.706	-0.1841	-0.646	-0.0158	0.1324	-0.0579	0.1447	0.1135	-0.0933	0.2373	-4.2036	9.4717	-32.4171
11	1.5641	0.4001	0.0778	1.2734	0.2059	1.0912	0.0016	-0.0382	0.065	0.1141	-0.0367	0.0196	-0.0295	-0.0645	0.035	0.0555	-0.0175	-0.0014	0.0953	-0.0065	0.0038	3.9299	-1.9519	-39.558
12	2.7748	-0.2197	-0.8786	4.4571	0.1577	2.7555	0.0313	-0.0224	-0.0445	-0.2636	-0.0915	0.524	-0.2102	-0.0618	0.0602	0.0444	-0.009	-0.0269	0.0912	-0.0097	0.0685	8.2017	-1.1705	-45.8268
13	1.2302	-0.0071	0.7658	3.5355	-1.3079	1.6617	0.0217	0.0353	-0.0454	0.1353	-0.0243	-0.0762	0.0827	-0.0135	0.0026	0.0413	-0.0207	-0.0135	0.0644	-0.0141	0.0195	23.113	2.8705	-37.2995
14	1.536	-0.6441	-0.2347	2.8621	-0.8332	4.5235	0.1411	-0.1756	-0.0762	0.206	-0.0941	0.007	0.2006	0.0509	-0.0469	0.08	-0.0396	-0.038	0.0729	0.0084	0.0404	24.6105	-1.5196	-30.6535
15	10.0093	-4.851	-1.3052	5.2428	-2.4888	4.1652	0.169	-0.4975	-0.1619	0.0671	-0.2384	-0.5372	-0.0853	0.3487	0.0695	0.0633	-0.0751	-0.1657	0.1195	0.2272	0.6048	22.6691	-9.7307	-30.3131
16	1.351	-0.4737	0.3567	2.5644	-0.719	1.2592	0.0298	-0.0128	-0.0605	0.0831	-0.0232	-0.1336	0.0401	0.0433	-0.0066	0.0472	-0.0214	-0.0078	0.0714	-0.0004	0.0444	16.9305	3.0722	-38.8599
17	1.7557	-0.8139	0.3617	2.2188	-1.1992	1.8758	-0.0261	-0.1161	-0.0961	0.1573	0.0033	-0.0389	-0.0922	0.0483	0.0229	0.0503	-0.0236	-0.0097	0.0823	-0.022	0.0277	26.6522	-1.3814	-90.7905
18	2.6802	-0.5338	0.8384	2.3772	-0.1554	1.4838	0.0319	-0.2316	-0.267	0.1859	-0.0573	-0.1457	-0.0963	0.3489	0.0254	0.0555	-0.0287	-0.0388	0.1834	0.0627	0.0566	29.5282	-8.4193	-89.9218
19	3.2888	-0.1146	-0.8389	2.0785	1.0971	1.0296	0.0203	0.0526	0.2176	0.0884	0.0795	-0.1054	-0.2237	0.1065	-0.0999	0.2701	-0.0577	-0.0162	0.0541	-0.0028	0.0206	22.3422	10.7079	-94.9421
20	1.2964	-0.1256	-0.2746	2.052	-0.7404	1.8546	-0.0016	-0.0004	-0.1182	0.0537	0.0031	-0.1458	0.101	0.1322	-0.0015	0.051	0.0081	-0.0212	0.0502	-0.008	0.0342	21.6095	-5.0677	-97.4346
21	1.3051	-0.6015	-0.5641	2.0811	1.1072	1.8354	0.0527	-0.0196	0.0598	0.0794	-0.0423	-0.0065	-0.1616	-0.1352	-0.0103	0.0589	0.0028	0.0161	0.0943	0.0266	0.0293	4.0031	3.0476	-96.312
22	1.2897	0.3811	0.8022	0.9208	1.1744	1.6707	0.1252	-0.0172	0.08	-0.0682	-0.2307	0.0908	-0.1011	-0.3787	0.1055	0.0947	0.0802	0.0241	0.1724	0.0158	0.0247	1.0115	7.5753	-92.9264
23	1.1035	-0.1561	0.2932	1.7946	-0.2668	1.4703	0.0126	-0.0273	0.0348	0.0874	0.0359	0.1388	-0.076	-0.1048	-0.0485	0.0734	0.0145	0.022	0.0888	-0.0027	0.0172	8.0639	0.2998	-96.8858
24	3.9295	-1.5505	-0.4513	9.2964	1.2627	2.7653	0.016	0.1551	0.1221	-0.2124	0.0084	0.0036	-0.2017	-0.1722	-0.0244	0.0845	-0.0089	0.024	0.0873	-0.0092	0.0137	12.1861	-1.0331	-102.8788
25	1.879	0.3188	0.5895	1.1006	0.7268	2.2123	-0.0803	0.0728	0.0925	-0.0543	-0.028	0.1256	-0.0726	-0.1297	0.1083	0.0896	0.015	0.0023	0.034	0.0209	0.0429	8.6166	6.0609	-124.2027
26	7.3623	-1.1272	-0.7549	5.2128	0.5897	3.3333	-0.025	0.2061	0.0892	-0.3888	0.0122	0.3604	-0.2306	-0.2667	0.0128	0.0878	0.0062	-0.0255	0.047	0.0132	0.0313	2.6997	-2.1498	-129.0345
27	1.5112	0.2847	0.2358	0.8412	0.165	1.268	-0.0154	0.0274	0.0504	-0.0681	0.0353	0.0127	-0.1571	0.0348	-0.0199	0.0878	0.018	0.0039	0.0439	0.0072	0.0269	14.1793	4.3486	-121.0692
28	4.0306	3.3435	0.7377	5.2052	0.21	3.7826	0.0902	-0.188	-0.0068	0.2037	-0.059	0.1007	-0.063	-0.1816	-0.0311	0.1137	0.0381	-0.0139	0.0337	0.0088	0.0323	15.9029	3.3556	-113.7423
29	1.5986	0.5137	-0.628	1.1794	-0.6311	1.3998	-0.0522	-0.0004	-0.0006	-0.1105	-0.0086	-0.1554	-0.0556	0.1374	0.0609	0.0613	-0.0081	0.0234	0.0263	0.0047	0.0266	30.4316	-8.3953	-119.7108
30	10.3861	0.585	0.3692	4.4952	-0.7416	4.4555	0.165	0.0605	-0.2651	0.0713	-0.2335	-0.677	-0.0574	0.4916	0.0685	0.0533	-0.0186	-0.0105	0.062	0.0294	0.1054	36.8982	0.3756	-124.1521
31	1.5277	-0.3686	0.0991	1.0886	0.0357	1.5454	-0.0038	0.0312	-0.0269	-0.0165	0.038	-0.062	-0.0667	0.0245	-0.0343	0.0778	0.0182	0.0063	0.0502	0.0137	0.0128	23.7024	-6.4008	-118.7206
32	4.7553	2.0203	-0.5256	4.727	0.9185	2.802	-0.0289	-0.3105	0.0709	0.043	-0.0071	-0.1876	-0.0731	0.2711	0.036	0.0961	0.0316	0.0116	0.0567	0.0105	0.0384	19.7335	-4.3568	-112.5805

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	6 - 58
2	X-RAY DIFFRACTION	2	A	59 - 69
3	X-RAY DIFFRACTION	3	A	70 - 106
4	X-RAY DIFFRACTION	4	A	107 - 119
5	X-RAY DIFFRACTION	5	B	6 - 48
6	X-RAY DIFFRACTION	6	B	49 - 69
7	X-RAY DIFFRACTION	7	B	70 - 107
8	X-RAY DIFFRACTION	8	B	108 - 119
9	X-RAY DIFFRACTION	9	C	6 - 58
10	X-RAY DIFFRACTION	10	C	59 - 69
11	X-RAY DIFFRACTION	11	C	70 - 106
12	X-RAY DIFFRACTION	12	C	107 - 119
13	X-RAY DIFFRACTION	13	D	6 - 33
14	X-RAY DIFFRACTION	14	D	34 - 59
15	X-RAY DIFFRACTION	15	D	60 - 69
16	X-RAY DIFFRACTION	16	D	70 - 119
17	X-RAY DIFFRACTION	17	E	6 - 48
18	X-RAY DIFFRACTION	18	E	49 - 68
19	X-RAY DIFFRACTION	19	E	69 - 88
20	X-RAY DIFFRACTION	20	E	89 - 119
21	X-RAY DIFFRACTION	21	F	6 - 37
22	X-RAY DIFFRACTION	22	F	38 - 70
23	X-RAY DIFFRACTION	23	F	71 - 106
24	X-RAY DIFFRACTION	24	F	107 - 119
25	X-RAY DIFFRACTION	25	G	6 - 55
26	X-RAY DIFFRACTION	26	G	56 - 69
27	X-RAY DIFFRACTION	27	G	70 - 106
28	X-RAY DIFFRACTION	28	G	107 - 119
29	X-RAY DIFFRACTION	29	H	6 - 58
30	X-RAY DIFFRACTION	30	H	59 - 69
31	X-RAY DIFFRACTION	31	H	70 - 106
32	X-RAY DIFFRACTION	32	H	107 - 119

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