PDB-3r5b: Pseudomonas aeruginosa DapD (PA3666) in complex with L-2-aminopimelate

ID or keywords:

Entry

Database: PDB / ID: 3r5b

Title

Pseudomonas aeruginosa DapD (PA3666) in complex with L-2-aminopimelate

Components

Tetrahydrodipicolinate N-succinyletransferase

Keywords

TRANSFERASE/TRANSFERASE SUBSTRATE / TRANSFERASE-TRANSFERASE SUBSTRATE complex

Function / homology

Function and homology information

2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase / 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase activity / diaminopimelate biosynthetic process / lysine biosynthetic process via diaminopimelate / magnesium ion binding / cytoplasm
Similarity search - Function

Biological species

Pseudomonas aeruginosa (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

FOURIER SYNTHESIS / Resolution: 2.51 Å

Authors

Sandalova, T. / Schnell, R. / Schneider, G.

Citation

Journal: Plos One / Year: 2012
Title: Tetrahydrodipicolinate N-succinyltransferase and dihydrodipicolinate synthase from Pseudomonas aeruginosa: structure analysis and gene deletion.
Authors: Schnell, R. / Oehlmann, W. / Sandalova, T. / Braun, Y. / Huck, C. / Maringer, M. / Singh, M. / Schneider, G.

History

Deposition	Mar 18, 2011	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jan 25, 2012	Provider: repository / Type: Initial release
Revision 1.1	Feb 1, 2012	Group: Structure summary
Revision 1.2	Mar 30, 2016	Group: Database references
Revision 1.3	Mar 7, 2018	Group: Data collection / Category: diffrn_source / Item: _diffrn_source.pdbx_synchrotron_site
Revision 1.4	Feb 21, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / 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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3r5b.cif.gz	354.5 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	3r5b_validation.pdf.gz	488.1 KB	Display	wwPDB validaton report
Full document	3r5b_full_validation.pdf.gz	516.8 KB	Display
Data in XML	3r5b_validation.xml.gz	67.7 KB	Display
Data in CIF	3r5b_validation.cif.gz	94 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/r5/3r5b ftp://data.pdbj.org/pub/pdb/validation_reports/r5/3r5b	HTTPS FTP

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Related structure data

Related structure data	3qzeC 3r5aC 3r5cC 3r5dC C: citing same article (ref.)
Similar structure data	3r5d-2 3r5a-2 3r5d-1 3r5a-1 5nd6-d 5xuf-1 2e6k-1 6tj8-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	#165 - Sep 2013 Designed Protein Cages similarity (3) #49 - Jan 2004 Carbonic Anhydrase similarity (3) #39 - Mar 2003 lac Repressor similarity (2)

Deposited unit

A: Tetrahydrodipicolinate N-succinyletransferase

B: Tetrahydrodipicolinate N-succinyletransferase

C: Tetrahydrodipicolinate N-succinyletransferase

D: Tetrahydrodipicolinate N-succinyletransferase

E: Tetrahydrodipicolinate N-succinyletransferase

F: Tetrahydrodipicolinate N-succinyletransferase

hetero molecules

219 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Tetrahydrodipicolinate N-succinyletransferase

B: Tetrahydrodipicolinate N-succinyletransferase

C: Tetrahydrodipicolinate N-succinyletransferase

hetero molecules

defined by author&software
109 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

D: Tetrahydrodipicolinate N-succinyletransferase

E: Tetrahydrodipicolinate N-succinyletransferase

F: Tetrahydrodipicolinate N-succinyletransferase

hetero molecules

defined by author&software
109 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	83.038, 102.002, 134.903
Angle α, β, γ (deg.)	90.00, 89.97, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
1	2	D
2	2	E
3	2	F

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Refine code	Auth asym-ID	Auth seq-ID
1	1	1	2	A	1 - 300
2	1	1	2	B	1 - 300
3	1	1	2	C	1 - 300
1	1	2	4	D	1 - 300
2	1	2	4	E	1 - 300
3	1	2	4	F	1 - 300

NCS ensembles :

ID
1
2

#1: Protein	Tetrahydrodipicolinate N-succinyletransferase / Tetrahydrodipicolinate succinylase Mass: 36288.379 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Strain: PAO1 / Gene: dapD, PA3666 / Plasmid: pET28a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: Q9Z9H2, UniProt: G3XD76*PLUS, 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
#2: Chemical	ChemComp-NPI / (2S)-2-aminoheptanedioic acid / L-2-AMINOPIMELIC ACID Type: L-peptide linking / Mass: 175.182 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₇H₁₃NO₄
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 256 / 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: 2.62 Å³/Da / Density % sol: 53.12 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.2 Details: 19-20% of PEG3350, 0.3-0.4M succinate, pH 6.2, 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: I911-3 / Wavelength: 1 Å

Detector

Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Oct 8, 2009

Radiation

Monochromator: Si (111) double crystal monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1 Å / Relative weight: 1

Reflection twin

Crystal-ID	ID	Operator	Domain-ID	Fraction
1	1	H, K, L	1	0.545
1	1	h,-k,-l	2	0.455

Reflection

Resolution: 2.5→37 Å / Num. all: 72498 / Num. obs: 72498 / % possible obs: 95.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.4 % / R_merge(I) obs: 0.144 / R_sym value: 0.144 / Net I/σ(I): 6.7

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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:

FOURIER SYNTHESIS / Resolution: 2.51→36.88 Å / Cor.coef. F_o:F_c: 0.842 / Cor.coef. F_o:F_c free: 0.817 / SU B: 21.379 / SU ML: 0.219 / Cross valid method: THROUGHOUT / ESU R: 0.157 / ESU R Free: 0.07 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.27567	3632	5 %	RANDOM
R_work	0.25019	-	-	-
obs	0.25149	68844	93.94 %	-
all	-	68844	-	-

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: 21.868 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.7 Å²	0 Å²	0.7 Å²
2-	-	0.72 Å²	0 Å²
3-	-	-	0.98 Å²

Refinement step

Cycle: LAST / Resolution: 2.51→36.88 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	14081	0	60	256	14397

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.01	0.022	14363
X-RAY DIFFRACTION	r_bond_other_d	0.003	0.02	9446
X-RAY DIFFRACTION	r_angle_refined_deg	1.242	1.983	19481
X-RAY DIFFRACTION	r_angle_other_deg	0.968	3.001	23144
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.068	5	1895
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.965	24.74	538
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	16.075	15	2335
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.114	15	70
X-RAY DIFFRACTION	r_chiral_restr	0.084	0.2	2319
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.021	16096
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	2698
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	0.254	1.5	9419
X-RAY DIFFRACTION	r_mcbond_other	0.051	1.5	3942
X-RAY DIFFRACTION	r_mcangle_it	0.455	2	14964
X-RAY DIFFRACTION	r_scbond_it	0.648	3	4944
X-RAY DIFFRACTION	r_scangle_it	1.103	4.5	4517
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
1	1	A	1695	TIGHT POSITIONAL	0.02	0.05
1	2	B	1695	TIGHT POSITIONAL	0.02	0.05
1	3	C	1695	TIGHT POSITIONAL	0.02	0.05
1	1	A	1833	MEDIUM POSITIONAL	0.06	0.5
1	2	B	1833	MEDIUM POSITIONAL	0.05	0.5
1	3	C	1833	MEDIUM POSITIONAL	0.04	0.5
1	1	A	1695	TIGHT THERMAL	0.03	0.5
1	2	B	1695	TIGHT THERMAL	0.03	0.5
1	3	C	1695	TIGHT THERMAL	0.03	0.5
1	1	A	1833	MEDIUM THERMAL	0.03	2
1	2	B	1833	MEDIUM THERMAL	0.03	2
1	3	C	1833	MEDIUM THERMAL	0.03	2
2	1	D	3521	MEDIUM POSITIONAL	0.25	0.5
2	2	E	3521	MEDIUM POSITIONAL	0.23	0.5
2	3	F	3521	MEDIUM POSITIONAL	0.24	0.5
2	1	D	3521	MEDIUM THERMAL	0.23	2
2	2	E	3521	MEDIUM THERMAL	0.22	2
2	3	F	3521	MEDIUM THERMAL	0.24	2

LS refinement shell

Resolution: 2.509→2.574 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.39	173	-
R_work	0.274	3530	-
obs	-	-	64.99 %

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	1.0503	-0.2279	-0.2059	1.3125	-0.3516	0.3047	-0.0228	0.0984	0.044	-0.1463	0.0294	0.1107	0.0158	-0.1308	-0.0065	0.1153	-0.0019	-0.0162	0.2097	0.0465	0.161	-21.954	7.586	-11.926
2	0.9992	0.4212	0.2248	1.1115	-0.2929	0.5965	-0.0109	0.0795	0.0796	-0.0112	0.038	0.0418	-0.0044	-0.061	-0.0271	0.1264	-0.0084	0.0089	0.1658	0.0195	0.1348	-10.303	7.293	-10.822
3	0.565	-0.0163	0.1114	0.8804	0.0105	0.3946	-0.0255	-0.0019	0.0222	-0.0096	0.0185	0.0205	-0.0171	-0.0368	0.007	0.1034	-0.0057	-0.0008	0.1638	0.0202	0.119	-2.472	3.373	3.039
4	1.645	0.7302	0.8185	2.1251	0.4251	2.3469	0.0625	0.1913	0.0248	-0.1659	-0.0304	-0.1418	0.0217	0.0789	-0.0321	0.0845	0.0321	0.0608	0.2491	0.0043	0.1717	14.981	-7.058	-9.299
5	0.9911	0.7573	1.3181	2.1714	0.4166	2.186	-0.0503	0.1504	-0.036	-0.2275	-0.0728	-0.4129	0.051	0.0878	0.1231	0.1169	0.0316	0.1372	0.2823	-0.0028	0.3236	28.036	-8.226	-14.011
6	3.7405	-0.4946	1.367	2.3062	-3.2887	4.8697	0.5313	1.8223	-0.5382	-0.5315	-0.2014	0.1405	0.9378	0.5832	-0.3298	0.4505	0.2302	0.0167	0.9081	-0.196	0.4848	30.809	-13.302	-16.656
7	0.6276	0.1273	-0.0632	1.0996	0.1062	0.8057	-0.0305	-0.0411	-0.1085	0.0517	0.0299	0.0544	0.118	-0.0715	0.0007	0.1099	-0.0101	0.022	0.164	0.0032	0.1131	-12.174	-24.144	27.268
8	0.6563	-0.1259	0.067	1.0438	0.2301	1.1187	-0.0746	0.0141	-0.0358	0.0327	0.0571	0.0032	0.0272	-0.0451	0.0174	0.1259	-0.0147	0.0185	0.1609	-0.0016	0.1286	-3.178	-21.801	20.143
9	0.3092	0.0501	0.0952	0.5654	0.0126	0.6483	-0.0325	-0.0143	-0.0059	0.0419	0.0294	-0.0141	0.0028	-0.0253	0.0031	0.1017	-0.0041	0.0171	0.1459	0.0079	0.113	0.442	-7.134	14.105
10	2.0943	-0.5849	-0.1152	1.6908	-0.9662	2.0303	-0.0011	0.0967	-0.1684	0.0108	-0.0729	-0.1542	0.0283	0.0393	0.0739	0.0709	0.0077	0.0122	0.2038	0.0248	0.1842	23.724	-10.707	13.863
11	1.8204	1.1634	-1.03	1.5948	-0.5673	1.8734	-0.1832	-0.1295	-0.1459	-0.1533	0.0677	-0.3292	0.1545	0.2714	0.1156	0.0425	0.0522	0.0345	0.2233	0.0077	0.3028	36.431	-13.011	8.936
12	2.5237	2.5295	-0.1991	5.8698	-0.0953	0.0262	0.2415	-0.4809	-0.729	0.8995	-0.3073	-0.9197	-0.0349	0.0261	0.0657	0.3755	-0.0151	-0.1059	0.4446	0.0737	0.6219	40.652	-17.823	14.33
13	1.151	-0.0139	-0.2719	0.8866	0.5561	0.5515	0.04	-0.0855	0.2345	0.1654	-0.0616	0.0436	-0.0664	-0.0507	0.0215	0.2424	0.0112	0.0178	0.1808	-0.0236	0.1718	-2.64	26.316	31.864
14	1.1131	-0.2032	0.2179	0.9112	-0.1611	1.1699	-0.0323	-0.0967	0.0851	0.1267	-0.0156	0.0445	-0.0326	-0.0081	0.0478	0.1771	-0.005	-0.0059	0.1547	-0.0063	0.1566	5.823	19.768	27.008
15	0.5051	0.0563	-0.089	0.6407	-0.2399	0.7412	-0.0058	-0.0028	0.0293	0.0445	0.0032	0.0131	-0.0095	-0.0043	0.0026	0.1067	0.0168	0.0032	0.1509	0.0002	0.1239	3.368	7.722	16.254
16	1.0952	-0.0492	0.2424	2.6611	0.56	0.5293	0.0363	0.0076	0.1154	0.0891	-0.0564	-0.197	-0.0123	0.0891	0.0202	0.1116	-0.0301	0.0295	0.2199	0.0348	0.185	23.493	12.613	4.913
17	0.788	0.6629	-0.2007	2.3502	0.5011	0.9218	0.0677	0.1119	0.0206	0.1789	0.1045	-0.5335	0.0582	0.0245	-0.1722	0.0475	0.0055	0.033	0.216	0.062	0.3402	36.159	9.26	0.115
18	2.6497	-1.3291	-1.3938	0.6748	0.7136	0.9584	0.4099	0.0291	0.7693	-0.1969	-0.0391	-0.3574	-0.0581	0.117	-0.3708	0.2069	0.0223	0.1415	0.4703	0.0257	0.642	40.725	16.977	-0.893
19	1.0443	0.3144	0.3008	1.04	-0.3178	0.5985	-0.0285	-0.1199	-0.0503	0.1437	0.0396	0.0881	0.0084	-0.123	-0.0111	0.0993	0.004	0.0333	0.1873	0.0414	0.1592	19.246	-18.624	78.728
20	0.8673	-0.5928	-0.3222	1.4661	-0.3506	0.4764	0.0106	0.0005	-0.0644	0.0522	0.0397	0.0498	-0.0014	-0.0295	-0.0504	0.1233	0.0175	0.0111	0.1782	0.0243	0.1455	30.904	-18.311	77.624
21	0.4357	-0.0575	-0.2079	0.7849	-0.1312	0.1785	-0.0229	0.0049	-0.0253	-0.0091	0.0198	-0.0036	-0.0065	-0.0218	0.0031	0.1004	0.0076	0.0105	0.1633	0.0204	0.1288	38.917	-14.193	63.983
22	1.7262	-0.2665	-0.9574	0.9882	-0.1005	3.3286	0.0365	-0.1449	-0.0633	0.1107	-0.0323	-0.1227	-0.053	0.1404	-0.0041	0.1103	-0.0324	-0.0519	0.2491	-0.0142	0.1812	56.343	-4.054	76.19
23	0.4906	-0.4164	-1.0438	1.5735	-0.1371	3.1542	-0.0447	-0.065	0.0501	0.1806	-0.0876	-0.3353	-0.0201	0.1238	0.1322	0.073	-0.0414	-0.0796	0.2992	-0.0125	0.3026	69.142	-2.757	80.605
24	1.9545	-1.1945	0.6158	0.9686	-0.6569	1.7682	-0.0179	-0.8401	0.6605	-0.0554	0.0653	-0.4102	-0.6377	0.3808	-0.0474	0.5394	0.0468	-0.0364	1.2137	-0.279	0.5691	71.939	2.304	83.501
25	0.6764	-0.1194	0.3421	1.0749	0.0499	0.7093	-0.0297	0.0282	0.109	-0.0676	0.0351	0.0554	-0.1045	-0.0659	-0.0055	0.1102	0.0158	0.0149	0.1567	0.0061	0.1132	29.143	13.107	39.551
26	0.6472	-0.0571	0.0383	1.027	0.1378	0.9918	-0.0323	0.003	0	-0.0271	0.0474	-0.0103	-0.0584	-0.0808	-0.0152	0.1352	0.0148	0.0031	0.1642	-0.0031	0.123	38.107	10.768	46.679
27	0.5123	-0.0079	-0.1978	0.6173	0.0011	0.7292	-0.0265	0.0067	-0.0094	-0.0267	0.0274	-0.0144	-0.0048	-0.0101	-0.001	0.0971	0.0028	-0.0026	0.1499	0.0059	0.115	41.741	-3.889	52.712
28	1.5204	0.6846	0.6441	1.3204	-1.2951	2.8063	-0.0154	-0.0866	0.0983	-0.045	-0.0587	-0.0373	0.0205	-0.007	0.0742	0.0642	0.0021	0.0341	0.222	0.0128	0.2102	65.004	-0.308	52.957
29	5.2109	-2.6787	-0.1019	1.4993	-0.5595	3.0825	-0.1419	-0.0298	0.3024	0.1039	-0.0361	-0.1983	-0.163	0.3028	0.1781	0.0268	-0.0653	-0.0178	0.2109	0.0029	0.3181	77.695	1.926	57.916
30	0.1579	0.9172	0.0402	5.6522	0.2021	0.0222	-0.1152	0.0314	-0.0682	-0.9287	0.0993	-0.212	0.025	0.0027	0.0159	0.3869	0.0063	0.0723	0.466	0.0145	0.4906	82.078	6.665	52.434
31	1.0885	-0.0149	0.3769	0.9576	0.5018	0.4916	0.0526	0.1076	-0.2018	-0.1624	-0.0593	0.0523	0.0581	-0.0478	0.0066	0.2458	-0.0174	0.0062	0.1802	-0.0161	0.1688	38.744	-37.315	34.949
32	0.7036	0.3014	-0.3129	0.8771	-0.111	0.8344	-0.0135	0.1204	-0.1083	-0.141	0.0112	0.0462	0.0426	-0.0454	0.0022	0.1757	0.0042	0.0166	0.1676	-0.0015	0.1636	47.194	-30.765	39.804
33	0.419	-0.0721	0.1791	0.5183	-0.2633	0.6966	-0.0103	0.0057	-0.0058	-0.0509	-0.0093	0.0129	0.0192	-0.0176	0.0197	0.1088	-0.0101	0.0111	0.1613	-0.0008	0.1365	44.694	-18.73	50.549
34	0.5332	-0.7455	-0.8172	2.5004	0.8987	1.4589	0.0265	-0.0335	-0.0227	-0.1316	0.0053	-0.1767	0.0755	0.1583	-0.0317	0.1105	0.0252	-0.0118	0.2204	0.0151	0.2048	64.775	-23.618	61.928
35	1.3079	0.6128	1.2644	0.6544	0.7558	1.7838	0.0901	-0.1265	-0.1181	-0.0854	0.0391	-0.4108	-0.0678	0.1261	-0.1292	0.0923	-0.0273	0.1077	0.2687	0.031	0.4181	77.413	-20.239	66.801
36	3.1697	0.5649	-1.4681	0.2085	-0.6626	2.5196	-0.0959	-0.0112	-0.7559	0.0676	-0.0124	-0.0849	-0.2027	-0.3806	0.1084	0.1307	-0.108	-0.1127	0.5081	0.1353	0.7576	82.295	-27.742	67.738

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	3 - 80
2	X-RAY DIFFRACTION	2	A	81 - 132
3	X-RAY DIFFRACTION	3	A	133 - 229
4	X-RAY DIFFRACTION	4	A	230 - 280
5	X-RAY DIFFRACTION	5	A	281 - 320
6	X-RAY DIFFRACTION	6	A	321 - 329
7	X-RAY DIFFRACTION	7	B	3 - 80
8	X-RAY DIFFRACTION	8	B	81 - 132
9	X-RAY DIFFRACTION	9	B	133 - 232
10	X-RAY DIFFRACTION	10	B	233 - 282
11	X-RAY DIFFRACTION	11	B	283 - 322
12	X-RAY DIFFRACTION	12	B	323 - 328
13	X-RAY DIFFRACTION	13	C	3 - 80
14	X-RAY DIFFRACTION	14	C	81 - 132
15	X-RAY DIFFRACTION	15	C	133 - 231
16	X-RAY DIFFRACTION	16	C	232 - 279
17	X-RAY DIFFRACTION	17	C	280 - 322
18	X-RAY DIFFRACTION	18	C	323 - 329
19	X-RAY DIFFRACTION	19	D	3 - 80
20	X-RAY DIFFRACTION	20	D	81 - 132
21	X-RAY DIFFRACTION	21	D	133 - 231
22	X-RAY DIFFRACTION	22	D	232 - 279
23	X-RAY DIFFRACTION	23	D	280 - 320
24	X-RAY DIFFRACTION	24	D	321 - 329
25	X-RAY DIFFRACTION	25	E	3 - 80
26	X-RAY DIFFRACTION	26	E	81 - 132
27	X-RAY DIFFRACTION	27	E	133 - 232
28	X-RAY DIFFRACTION	28	E	233 - 282
29	X-RAY DIFFRACTION	29	E	283 - 315
30	X-RAY DIFFRACTION	30	E	323 - 342
31	X-RAY DIFFRACTION	31	F	3 - 80
32	X-RAY DIFFRACTION	32	F	81 - 132
33	X-RAY DIFFRACTION	33	F	133 - 231
34	X-RAY DIFFRACTION	34	F	232 - 279
35	X-RAY DIFFRACTION	35	F	280 - 322
36	X-RAY DIFFRACTION	36	F	323 - 329

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