PDB-6amc: Engineered tryptophan synthase b-subunit from Pyrococcus furiosus...

ID or keywords:

Entry

Database: PDB / ID: 6amc

Title

Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB4D11

Components

Tryptophan synthase beta chain 1

Keywords

BIOSYNTHETIC PROTEIN / PLP Type II / Tryptophan Synthase / Engineered / Allostery

Function / homology

Function and homology information

tryptophan synthase / tryptophan synthase activity / cytoplasm
Similarity search - Function

Biological species

Pyrococcus furiosus (archaea)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.93 Å

Authors

Buller, A.R. / Herger, M.

Citation

Journal: J. Am. Chem. Soc. / Year: 2018
Title: Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
Authors: Buller, A.R. / van Roye, P. / Cahn, J.K.B. / Scheele, R.A. / Herger, M. / Arnold, F.H.

History

Deposition	Aug 9, 2017	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 16, 2018	Provider: repository / Type: Initial release
Revision 1.1	Jun 20, 2018	Group: Data collection / 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	Oct 4, 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 / pdbx_struct_conn_angle / struct_conn 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_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _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
Revision 1.3	Nov 15, 2023	Group: Data collection / Category: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6amc.cif.gz	589.2 KB	Display	PDBx/mmCIF format
PDB format	pdb6amc.ent.gz	488.4 KB	Display	PDB format
PDBx/mmJSON format	6amc.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	6amc_validation.pdf.gz	471.3 KB	Display	wwPDB validaton report
Full document	6amc_full_validation.pdf.gz	488.6 KB	Display
Data in XML	6amc_validation.xml.gz	55 KB	Display
Data in CIF	6amc_validation.cif.gz	75.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/am/6amc ftp://data.pdbj.org/pub/pdb/validation_reports/am/6amc	HTTPS FTP

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Related structure data

Related structure data	5vm5C 6am7C 6am8C 6am9C 6amhC 6amiC 5dvzS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	2dh5-1 6amh-1 6am7-2 5t6m-2 6cut-1 6am7-1 5vm5-1 5vm5-2 5dvz-1 1x1q-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

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#228 - Dec 2018 Directed Evolution of Enzymes similarity (9)

Deposited unit

A: Tryptophan synthase beta chain 1

B: Tryptophan synthase beta chain 1

C: Tryptophan synthase beta chain 1

D: Tryptophan synthase beta chain 1

hetero molecules

175 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Tryptophan synthase beta chain 1

B: Tryptophan synthase beta chain 1

hetero molecules

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

2

C: Tryptophan synthase beta chain 1

D: Tryptophan synthase beta chain 1

hetero molecules

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

Unit cell

Length a, b, c (Å)	85.438, 110.729, 160.427
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

#1: Protein	Tryptophan synthase beta chain 1 Mass: 43694.816 Da / Num. of mol.: 4 / Mutation: T321A, T292S, F274S, I68V, E17G Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pyrococcus furiosus (strain ATCC 43587 / DSM 3638 / JCM 8422 / Vc1) (archaea) Strain: ATCC 43587 / DSM 3638 / JCM 8422 / Vc1 / Gene: trpB1, PF1706 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q8U093, tryptophan synthase
#2: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Na
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 263 / 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: 2.17 Å³/Da / Density % sol: 43.34 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7.85 / Details: 15-25% PEG3350 and 0.1 M Na HEPES pH 7.85

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 0.9795 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Dec 8, 2014
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9795 Å / Relative weight: 1
Reflection	Resolution: 1.93→40 Å / Num. obs: 114421 / % possible obs: 99.7 % / Redundancy: 6.7 % / CC_1/2: 0.998 / R_pim(I) all: 0.023 / Net I/σ(I): 15.4
Reflection shell	Resolution: 1.93→1.96 Å / Redundancy: 6.5 % / Mean I/σ(I) obs: 1.3 / Num. unique obs: 5601 / CC_1/2: 0.605 / R_pim(I) all: 0.547 / % possible all: 99.6

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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: 5DVZ

5dvz

Resolution: 1.93→40 Å / Cor.coef. F_o:F_c: 0.958 / Cor.coef. F_o:F_c free: 0.94 / SU B: 12.247 / SU ML: 0.165 / Cross valid method: THROUGHOUT / ESU R: 0.186 / ESU R Free: 0.165 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.25527	5711	5 %	RANDOM
R_work	0.21604	-	-	-
obs	0.218	108623	99.54 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 50.408 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.11 Å²	0 Å²	0 Å²
2-	-	2.95 Å²	-0 Å²
3-	-	-	-2.84 Å²

Refinement step

Cycle: 1 / Resolution: 1.93→40 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11501	0	4	263	11768

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.005	0.019	11752
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	10818
X-RAY DIFFRACTION	r_angle_refined_deg	1.241	1.968	15953
X-RAY DIFFRACTION	r_angle_other_deg	0.879	3	24927
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.908	5	1535
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	36.823	23.924	474
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.777	15	1804
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.024	15	58
X-RAY DIFFRACTION	r_chiral_restr	0.067	0.2	1770
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.021	13380
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	2386
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	0.444	0.948	6152
X-RAY DIFFRACTION	r_mcbond_other	0.444	0.948	6151
X-RAY DIFFRACTION	r_mcangle_it	0.789	1.417	7680
X-RAY DIFFRACTION	r_mcangle_other	0.788	1.417	7681
X-RAY DIFFRACTION	r_scbond_it	0.32	0.95	5600
X-RAY DIFFRACTION	r_scbond_other	0.319	0.95	5600
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	0.583	1.425	8273
X-RAY DIFFRACTION	r_long_range_B_refined	4.403	11.679	13220
X-RAY DIFFRACTION	r_long_range_B_other	4.392	11.613	13204
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 1.93→1.98 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.379	385	-
R_work	0.358	7970	-
obs	-	-	99.42 %

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	1.3597	0.6984	0.2263	2.4252	1.3607	3.1964	-0.1073	0.2205	-0.0043	-0.5492	0.1143	-0.2852	-0.6546	0.5373	-0.0069	0.5134	-0.1163	0.0734	0.4674	0.0743	0.3676	95.8435	271.0368	159.9508
2	1.1282	0.0614	0.2459	1.8869	0.0574	1.7897	0.0544	-0.1048	-0.025	0.0147	-0.0623	-0.1613	-0.0876	0.2398	0.008	0.3869	-0.0143	0.009	0.5097	0.0217	0.4706	94.874	261.6567	181.7116
3	2.7454	0.3982	0.5771	1.9943	0.1961	4.294	-0.0708	0.0123	-0.0528	-0.1861	-0.0826	0.2093	-0.2071	-0.4564	0.1535	0.4627	0.0536	0.0068	0.4594	-0.0213	0.4471	77.2859	271.1019	175.3749
4	1.2941	-0.0176	0.1493	2.0772	0.1334	2.2803	-0.0408	0.1082	0.0449	-0.2589	0.0745	-0.0356	-0.4608	0.1951	-0.0337	0.4347	-0.0438	0.05	0.4748	0.0351	0.445	92.9095	267.924	169.45
5	1.5625	0.4527	0.2789	1.5832	-0.0179	2.1618	0.04	0.0372	-0.2047	-0.1044	0.0069	-0.3831	0.3704	0.3961	-0.0469	0.4357	0.0806	0.0162	0.5	0.0035	0.5344	96.9144	248.7197	172.7742
6	1.2411	0.7596	-0.9108	2.567	-1.5956	3.774	-0.0439	0.1516	-0.1684	-0.1994	0.1548	0.1825	0.293	-0.338	-0.1109	0.4976	0.0006	-0.0183	0.5027	0.0101	0.4693	79.8986	253.5169	160.2877
7	3.2784	3.4221	-0.5857	18.6291	-18.5796	21.613	-0.1547	0.1274	-0.0468	0.4474	0.7717	0.4269	-0.8357	-0.934	-0.6171	0.5048	0.1469	0.0239	0.6851	0.0417	0.4349	72.8776	257.2902	158.7458
8	1.0937	0.9195	-1.6902	1.2811	-0.602	3.9532	0.0664	0.094	0.0612	-0.1287	-0.016	0.089	-0.302	-0.297	-0.0504	0.4144	0.0238	-0.0082	0.4985	0.036	0.4608	83.0322	256.6358	167.7253
9	1.6866	0.0906	-0.3385	0.7972	-0.07	2.3191	0.0268	0.0124	-0.4003	-0.0621	-0.0021	-0.1773	0.5162	0.0478	-0.0247	0.4343	0.0065	-0.0111	0.4247	0.0454	0.5115	87.3449	244.8897	177.072
10	10.7092	4.9001	-2.2635	5.7129	-1.1188	1.5815	0.0764	-0.0402	0.0386	0.193	-0.0591	0.3364	0.0259	-0.3209	-0.0173	0.4716	-0.0027	0.0178	0.5299	0.0235	0.4854	72.1391	253.2391	186.1303
11	3.4113	-1.3095	-3.065	5.3633	0.8288	2.9229	-0.0112	-0.1108	0.0639	1.1706	-0.0086	-0.5367	0.2147	0.2084	0.0198	0.7029	-0.0892	-0.2257	0.8235	0.2183	0.1261	92.7382	248.3242	220.1281
12	1.6084	0.4615	-0.0209	3.1527	0.4048	1.7798	0.0509	-0.2489	-0.0834	-0.0034	-0.0166	-0.2714	-0.0155	0.107	-0.0343	0.3796	-0.0483	-0.0314	0.5673	0.031	0.445	94.6084	263.4698	197.1662
13	3.133	-0.5045	0.3701	2.5189	-0.6963	3.1557	-0.0494	-0.2138	-0.1004	0.4234	-0.1793	-0.1459	0.2397	0.2073	0.2287	0.4726	-0.1243	-0.0631	0.5688	0.1573	0.3573	85.9706	246.4513	204.5345
14	2.1104	-1.1986	-0.5042	4.1838	0.6723	4.5669	-0.0551	-0.1098	0.0174	0.306	-0.133	0.1734	-0.1054	-0.2098	0.1881	0.4225	-0.1244	0.0053	0.5202	0.045	0.4407	73.2374	249.689	201.4419
15	10.1083	-3.33	2.488	7.6317	-5.8643	4.9331	-0.171	-0.4514	-0.3196	1.1702	0.0572	0.4182	-0.713	-0.4133	0.1138	0.7633	-0.1527	0.1285	0.741	-0.1972	0.5099	72.9466	249.0528	215.0449
16	0.6704	0.3618	-0.053	2.1284	0.2039	1.433	0.26	-0.5888	-0.0222	0.6019	-0.2635	-0.1045	-0.077	0.0832	0.0036	0.4037	-0.1888	-0.0752	0.7147	0.0419	0.242	91.3164	263.3272	211.1852
17	0.245	-0.3545	1.4371	0.7005	-1.8538	8.9818	-0.036	-0.1309	-0.0833	0.3632	0.1428	0.295	-0.2043	-0.5459	-0.1068	0.5228	-0.1605	0.1234	0.7721	0.0257	0.4682	77.536	264.4358	215.7296
18	3.792	0.0885	3.1197	4.08	0.8132	8.7597	0.2287	-0.4553	-0.0311	0.3062	-0.2502	0.4066	0.4551	-0.8166	0.0215	0.5907	-0.1526	0.0109	0.7486	-0.0014	0.3394	86.8519	265.2614	218.2473
19	1.7528	0.1681	1.1629	1.7577	0.0589	2.4034	0.0486	-0.464	0.1764	0.1939	-0.1506	-0.0469	-0.3804	-0.1655	0.1021	0.3975	-0.0648	0.0164	0.6043	-0.0908	0.2984	86.1495	275.2165	201.224
20	10.3481	-22.0078	6.3662	57.0802	-9.4818	5.529	-0.4114	-0.93	-0.3872	-0.654	1.1562	-0.1336	-0.7338	-0.8582	-0.7448	0.4513	0.2048	0.0742	0.688	-0.0994	0.6967	66.8525	277.4959	194.0141
21	4.1639	-2.3693	0.0379	1.4309	-0.0399	3.1882	-0.2825	-0.7945	-0.0313	0.3475	0.4276	-0.0605	0.1373	0.7689	-0.1451	0.4325	0.0474	-0.1041	0.7091	-0.0606	0.3696	139.0814	287.9461	222.8689
22	2.7646	1.1445	3.2774	2.5403	-0.4535	11.1826	0.1058	-0.2265	0.2289	0.2333	-0.1742	-0.2478	0.0296	0.5979	0.0683	0.3224	0.0312	0.031	0.6747	-0.0864	0.4892	150.232	288.7283	203.6832
23	1.709	-0.0776	-0.0767	0.635	0.6567	1.3102	0.0719	0.1804	0.1145	-0.0991	0.0509	-0.0643	-0.1507	0.276	-0.1228	0.4561	-0.013	0.0374	0.4545	-0.0234	0.487	134.0234	296.6348	198.5908
24	3.9199	-0.1547	-0.4471	1.129	-0.0668	4.1053	0.056	0.0366	-0.0292	0.0285	-0.0097	0.1091	0.2717	-0.1836	-0.0463	0.4789	-0.0144	-0.0179	0.3534	-0.0495	0.5072	125.1717	281.571	203.037
25	3.5613	0.0608	0.0714	2.2058	0.5383	3.7936	-0.0541	-0.5857	-0.531	0.3701	0.032	0.08	0.7569	-0.159	0.0222	0.5496	0.016	-0.016	0.3532	0.0365	0.4771	127.2083	277.2892	212.5377
26	2.3507	-0.9768	0.4554	1.528	-0.5855	2.2633	0.1075	-0.0893	0.3719	0.0006	0.054	-0.2077	-0.4906	0.6226	-0.1615	0.4165	-0.1293	0.0554	0.3891	-0.122	0.4249	136.4062	301.615	207.5931
27	2.5337	-0.5736	0.2987	1.0151	-0.134	3.2872	-0.0059	-0.5107	0.221	0.0091	0.2095	-0.0107	-0.3982	-0.0396	-0.2037	0.4291	0.0276	0.0167	0.3451	-0.087	0.4189	124.0201	301.9321	217.3837
28	0.923	-0.0933	-1.5087	5.986	-9.2471	17.4258	0.0063	-0.0607	0.0436	-0.1652	0.1979	0.083	0.5479	-0.332	-0.2042	0.5698	-0.0417	-0.0053	0.5467	0.0288	0.5176	114.5896	292.1293	222.2415
29	2.4517	0.2576	0.4614	1.2579	0.2059	3.527	0.1609	-0.0943	0.2906	-0.0034	0.0272	0.034	-0.3922	-0.1399	-0.1882	0.4842	0.0455	0.0639	0.3213	-0.0124	0.4777	122.1165	303.1554	207.0299
30	2.5546	-0.1489	0.3091	3.8889	0.4994	1.9823	0.0111	0.172	0.3879	-0.0145	-0.0303	0.1942	-0.3248	-0.2105	0.0193	0.5292	0.0491	0.0667	0.4085	0.052	0.4385	120.6217	305.9495	199.2973
31	1.1098	0.0841	0.2944	1.0868	-0.9487	2.1359	-0.1169	0.5148	0.5572	-0.129	-0.1076	-0.0129	-0.8584	0.0295	0.2245	0.8926	-0.0821	0.044	0.7367	0.0624	0.3796	130.2637	306.3733	167.141
32	1.9217	0.0632	-0.66	2.0534	0.3675	2.8309	-0.0572	0.4305	-0.2168	0.1127	0.1518	-0.2528	0.0911	0.2528	-0.0946	0.355	0.0463	0.0512	0.5976	-0.0845	0.3751	138.0602	286.3531	184.6731
33	2.9639	-0.0519	0.2892	1.4434	-1.349	5.2466	-0.0145	0.6318	0.0461	-0.4762	-0.1191	0.1235	-0.1645	-0.2416	0.1336	0.5813	0.1078	0.0678	0.6436	0.129	0.2009	119.5356	303.6206	175.9686
34	4.551	1.7989	2.0775	9.1343	0.6391	5.2456	-0.0551	0.3732	-0.2744	-0.1779	0.1776	0.4052	0.3603	-0.187	-0.1225	0.5049	0.0942	0.0371	0.65	0.0346	0.3654	112.4629	296.7142	184.2396
35	3.7898	-1.0723	1.5517	0.3208	-0.4034	0.8813	0.1192	0.1772	-0.3126	-0.1264	-0.1834	0.1202	0.1761	-0.2584	0.0643	0.9163	0.0657	-0.0366	0.9196	-0.0463	0.497	110.3405	300.1029	167.1256
36	5.9575	-2.1942	3.0558	3.0188	-0.9743	3.1373	0.0046	0.5767	0.2344	-0.6179	0.1494	-0.3162	-0.5827	0.2305	-0.1541	0.39	-0.0312	0.1714	0.8802	0.0669	0.1069	134.1088	298.3029	171.6191
37	1.1327	0.7121	0.7061	2.2152	0.5441	2.2233	0.1039	0.3696	0.0691	-0.3032	-0.13	0.1188	0.144	0.1955	0.0261	0.3309	0.035	0.0449	0.8522	-0.1605	0.2557	134.1265	284.0422	168.3775
38	0.0796	-0.2838	0.1254	1.1551	-1.3241	5.7362	0.1934	0.0061	-0.0792	-0.5495	0.1159	0.332	0.0846	-0.3564	-0.3093	0.4047	-0.0361	-0.0574	1.025	-0.0641	0.2522	120.126	285.2482	164.0775
39	0.6314	-0.0766	-0.7078	1.23	-0.0172	3.6676	-0.0847	0.4821	-0.1807	-0.2455	0.0606	-0.274	0.5279	-0.0342	0.024	0.313	0.0222	0.0394	0.7511	-0.2671	0.3632	133.7096	279.2031	175.5831
40	4.706	-0.9843	-1.657	2.0766	-1.227	2.4781	-0.0305	0.6522	-0.3291	0.1409	0.1015	0.074	0.1948	-0.1997	-0.0709	0.3898	0.0094	-0.0077	0.6063	-0.1932	0.3078	129.2853	282.6562	183.7656

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 32
2	X-RAY DIFFRACTION	2	A	33 - 102
3	X-RAY DIFFRACTION	3	A	103 - 169
4	X-RAY DIFFRACTION	4	A	170 - 211
5	X-RAY DIFFRACTION	5	A	212 - 254
6	X-RAY DIFFRACTION	6	A	255 - 282
7	X-RAY DIFFRACTION	7	A	283 - 293
8	X-RAY DIFFRACTION	8	A	294 - 309
9	X-RAY DIFFRACTION	9	A	310 - 373
10	X-RAY DIFFRACTION	10	A	374 - 387
11	X-RAY DIFFRACTION	11	B	1 - 34
12	X-RAY DIFFRACTION	12	B	35 - 86
13	X-RAY DIFFRACTION	13	B	87 - 121
14	X-RAY DIFFRACTION	14	B	122 - 155
15	X-RAY DIFFRACTION	15	B	156 - 173
16	X-RAY DIFFRACTION	16	B	174 - 274
17	X-RAY DIFFRACTION	17	B	275 - 299
18	X-RAY DIFFRACTION	18	B	300 - 313
19	X-RAY DIFFRACTION	19	B	314 - 382
20	X-RAY DIFFRACTION	20	B	383 - 389
21	X-RAY DIFFRACTION	21	C	1 - 27
22	X-RAY DIFFRACTION	22	C	28 - 41
23	X-RAY DIFFRACTION	23	C	42 - 102
24	X-RAY DIFFRACTION	24	C	103 - 144
25	X-RAY DIFFRACTION	25	C	145 - 181
26	X-RAY DIFFRACTION	26	C	182 - 238
27	X-RAY DIFFRACTION	27	C	239 - 282
28	X-RAY DIFFRACTION	28	C	283 - 293
29	X-RAY DIFFRACTION	29	C	294 - 349
30	X-RAY DIFFRACTION	30	C	350 - 387
31	X-RAY DIFFRACTION	31	D	1 - 47
32	X-RAY DIFFRACTION	32	D	48 - 82
33	X-RAY DIFFRACTION	33	D	83 - 134
34	X-RAY DIFFRACTION	34	D	135 - 150
35	X-RAY DIFFRACTION	35	D	151 - 176
36	X-RAY DIFFRACTION	36	D	177 - 217
37	X-RAY DIFFRACTION	37	D	218 - 272
38	X-RAY DIFFRACTION	38	D	273 - 304
39	X-RAY DIFFRACTION	39	D	305 - 362
40	X-RAY DIFFRACTION	40	D	363 - 385

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