PDB-4ime: Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic ...

ID or keywords:

Entry

Database: PDB / ID: 4ime

Title

Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164A Mutant

Components

N-acetylneuraminate lyase

Keywords

LYASE / Tim barrel / Schiff base

Function / homology

Function and homology information

N-acetylneuraminate lyase / N-acetylneuraminate lyase activity / N-acetylneuraminate catabolic process / carbohydrate metabolic process / cytosol
Similarity search - Function

Biological species

Pasteurella multocida subsp. gallicida (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 1.75 Å

Authors

Fisher, A.J. / Huynh, N.

Citation

Journal: Biochemistry / Year: 2013
Title: Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Authors: Huynh, N. / Aye, A. / Li, Y. / Yu, H. / Cao, H. / Tiwari, V.K. / Shin, D.W. / Chen, X. / Fisher, A.J.

History

Deposition	Jan 2, 2013	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Nov 6, 2013	Provider: repository / Type: Initial release
Revision 1.1	Dec 11, 2013	Group: Database references
Revision 1.2	Feb 28, 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	4ime.cif.gz	932.2 KB	Display	PDBx/mmCIF format
PDB format	pdb4ime.ent.gz	780.7 KB	Display	PDB format
PDBx/mmJSON format	4ime.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	4ime_validation.pdf.gz	745.2 KB	Display	wwPDB validaton report
Full document	4ime_full_validation.pdf.gz	778.7 KB	Display
Data in XML	4ime_validation.xml.gz	112.3 KB	Display
Data in CIF	4ime_validation.cif.gz	168.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/im/4ime ftp://data.pdbj.org/pub/pdb/validation_reports/im/4ime	HTTPS FTP

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Related structure data

Related structure data	4imcC 4imdC 4imfC 4imgC C: citing same article (ref.)
Similar structure data	1f5z-d 5a8g-1 4ah7-d 1f6p-d 4imf-1 5kze-2 4woq-1 4img-1 4imc-d 4woz-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	#222 - Jun 2018 Proteins and Nanoparticles similarity (1)

Deposited unit

A: N-acetylneuraminate lyase

B: N-acetylneuraminate lyase

C: N-acetylneuraminate lyase

D: N-acetylneuraminate lyase

E: N-acetylneuraminate lyase

F: N-acetylneuraminate lyase

G: N-acetylneuraminate lyase

H: N-acetylneuraminate lyase

hetero molecules

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

1

A: N-acetylneuraminate lyase

B: N-acetylneuraminate lyase

C: N-acetylneuraminate lyase

D: N-acetylneuraminate lyase

hetero molecules

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

2

E: N-acetylneuraminate lyase

F: N-acetylneuraminate lyase

G: N-acetylneuraminate lyase

H: N-acetylneuraminate lyase

hetero molecules

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

Unit cell

Length a, b, c (Å)	90.140, 147.710, 111.980
Angle α, β, γ (deg.)	90.00, 98.51, 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
4	1	D
5	1	E
6	1	F
7	1	G
8	1	H

#1: Protein	N-acetylneuraminate lyase / N-acetylneuraminate pyruvate-lyase / N-acetylneuraminic acid aldolase / Sialate lyase / Sialic acid ...N-acetylneuraminate pyruvate-lyase / N-acetylneuraminic acid aldolase / Sialate lyase / Sialic acid aldolase / Sialic acid lyase Mass: 32575.414 Da / Num. of mol.: 8 / Mutation: K164A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pasteurella multocida subsp. gallicida (bacteria) Strain: P1059 / Gene: nanA, PM1715 / Plasmid: pET22b(+) / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q9CKB0, N-acetylneuraminate lyase
#2: Chemical	ChemComp-ME2 / 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE Mass: 148.200 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C₇H₁₆O₃
#3: Chemical	ChemComp-PG6 / 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE Mass: 266.331 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₂H₂₆O₆
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 2785 / Source method: isolated from a natural source / Formula: H₂O
Sequence details	UNIPROT SEQUENCE REFERENCE Q9CKB0 IS FOR A DIFFERENT STRAIN (PM70).

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.83 Å³/Da / Density % sol: 56.52 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 4.5 Details: 25% isopropanol, 0.1 M phosphate-citrate, pH 4.5, 1% PEG200, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

SSRL

/ Beamline: BL7-1 / Wavelength: 0.97946 Å

Detector

Type: ADSC QUANTUM 315r / Detector: CCD / Date: Dec 15, 2011

Radiation

Monochromator: Side scattering I-beam bent single crystal, asymmetric cut 4.9650 degrees
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.97946 Å / Relative weight: 1

Reflection

Resolution: 1.75→50 Å / Num. all: 287971 / Num. obs: 287971 / % possible obs: 99 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 3.7 % / B_iso Wilson estimate: 22.292 Å² / R_merge(I) obs: 0.073 / Net I/σ(I): 13.56

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Highest resolution (Å)	R_merge(I) obs	Mean I/σ(I) obs	Num. measured obs	Num. unique obs	% possible all
1.75-1.8		0.459	3	73656	20895	97.4
1.8-1.84		0.386	3.75	78136	20777	99.3
1.84-1.9		0.294	4.84	76126	20227	99.4
1.9-1.96		0.241	5.8	73942	19646	99.4
1.96-2.02		0.201	6.9	71487	18982	99.4
2.02-2.09		0.161	8.44	69391	18447	99.4
2.09-2.17		0.135	9.83	66743	17737	99.4
2.17-2.26		0.114	11.47	64332	17146	99.3
2.26-2.36		0.099	12.85	61421	16330	99.2
2.36-2.47		0.088	14.15	58871	15680	99.2
2.47-2.61		0.075	16.09	55681	14875	99.1
2.61-2.77		0.068	17.35	52654	14095	99.2
2.77-2.96		0.056	19.88	49386	13242	99
2.96-3.2		0.047	22.82	45665	12297	98.9
3.2-3.5		0.039	26.41	41859	11341	98.7
3.5-3.91		0.034	29.82	37663	10257	99
3.91-4.52		0.032	32.35	33028	9075	98.8
4.52-5.53		0.032	31.7	28179	7635	98.8
5.53-7.83		0.035	29.41	22653	6002	99.5
	7.83	0.028	35.56	12054	3285	97.6

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
PHASER		phasing
REFMAC		refinement
PDB_EXTRACT	3.11	data extraction
Blu-Ice		data collection
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.75→39.26 Å / Cor.coef. F_o:F_c: 0.951 / Cor.coef. F_o:F_c free: 0.933 / WR_factor R_free: 0.1982 / WR_factor R_work: 0.1668 / Occupancy max: 1 / Occupancy min: 0.5 / FOM work R set: 0.8807 / SU B: 3.862 / SU ML: 0.065 / SU R Cruickshank DPI: 0.1058 / SU R_free: 0.1041 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.106 / ESU R Free: 0.104 / Stereochemistry target values: MAXIMUM LIKELIHOOD

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2083	14540	5 %	RANDOM
R_work	0.1755	-	-	-
obs	0.1771	287943	99.06 %	-
all	-	287943	-	-

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 max: 71.82 Å² / B_iso mean: 17.459 Å² / B_iso min: 2.08 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.73 Å²	0 Å²	1.49 Å²
2-	-	-0.66 Å²	0 Å²
3-	-	-	-0.28 Å²

Refinement step

Cycle: LAST / Resolution: 1.75→39.26 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	18360	0	88	2785	21233

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.015	0.019	18955
X-RAY DIFFRACTION	r_angle_refined_deg	1.671	1.983	25551
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.204	5	2372
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	38.645	25.153	819
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.731	15	3433
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.32	15	56
X-RAY DIFFRACTION	r_chiral_restr	0.146	0.2	2841
X-RAY DIFFRACTION	r_gen_planes_refined	0.01	0.021	14079

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	1155	MEDIUM POSITIONAL	0.13	0.5
2	B	1155	MEDIUM POSITIONAL	0.11	0.5
3	C	1155	MEDIUM POSITIONAL	0.11	0.5
4	D	1155	MEDIUM POSITIONAL	0.11	0.5
5	E	1155	MEDIUM POSITIONAL	0.15	0.5
6	F	1155	MEDIUM POSITIONAL	0.14	0.5
7	G	1155	MEDIUM POSITIONAL	0.18	0.5
8	H	1155	MEDIUM POSITIONAL	0.12	0.5
1	A	1097	LOOSE POSITIONAL	0.45	5
2	B	1097	LOOSE POSITIONAL	0.46	5
3	C	1097	LOOSE POSITIONAL	0.5	5
4	D	1097	LOOSE POSITIONAL	0.5	5
5	E	1097	LOOSE POSITIONAL	0.48	5
6	F	1097	LOOSE POSITIONAL	0.59	5
7	G	1097	LOOSE POSITIONAL	0.5	5
8	H	1097	LOOSE POSITIONAL	0.55	5
1	A	1155	MEDIUM THERMAL	1.05	2
2	B	1155	MEDIUM THERMAL	1.93	2
3	C	1155	MEDIUM THERMAL	1.35	2
4	D	1155	MEDIUM THERMAL	2.34	2
5	E	1155	MEDIUM THERMAL	2.44	2
6	F	1155	MEDIUM THERMAL	1.14	2
7	G	1155	MEDIUM THERMAL	2.59	2
8	H	1155	MEDIUM THERMAL	1.18	2
1	A	1097	LOOSE THERMAL	1.61	10
2	B	1097	LOOSE THERMAL	2.56	10
3	C	1097	LOOSE THERMAL	2.15	10
4	D	1097	LOOSE THERMAL	2.91	10
5	E	1097	LOOSE THERMAL	2.87	10
6	F	1097	LOOSE THERMAL	1.82	10
7	G	1097	LOOSE THERMAL	3.28	10
8	H	1097	LOOSE THERMAL	1.96	10

LS refinement shell

Resolution: 1.75→1.795 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.286	1083	-
R_work	0.237	19798	-
all	-	20881	-
obs	-	-	97.42 %

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	0.5648	-0.0643	-0.1444	0.8454	-0.0624	0.8225	0.0021	0.0019	0.0085	0.027	0.0687	0.115	-0.0875	-0.119	-0.0709	0.0903	0.0372	-0.0432	0.1116	0.0273	0.1021	8.124	-2.228	55.641
2	0.6245	-0.0706	-0.0927	0.4966	-0.0276	0.5104	-0.0202	0.0021	0.0261	0.1012	0.0254	0.0331	-0.0502	-0.021	-0.0052	0.1222	0.0275	-0.0477	0.0672	0.0008	0.0706	23.051	4.376	57.842
3	0.5607	0.0711	0.3497	0.449	-0.1236	0.3399	-0.0151	-0.0679	-0.0457	0.0858	0.0675	0.0722	-0.0361	-0.0745	-0.0525	0.1042	0.0233	-0.0426	0.1058	0.0216	0.0766	14.866	-13.191	63.79
4	0.9792	1.2267	-0.1366	3.0164	0.8542	13.3892	0.0089	-0.0085	-0.2144	0.002	-0.0924	0.2734	0.5177	-0.1497	0.0835	0.0718	-0.0309	-0.0423	0.1168	0.011	0.2704	4.36	-24.217	52.887
5	0.4925	-0.3276	-0.2112	0.682	0.0685	0.4846	0.0299	0.033	0.0606	0.0024	-0.0272	-0.0485	-0.017	-0.0116	-0.0027	0.0926	0.0023	-0.0656	0.0645	0.0099	0.0746	38.985	7.043	31.028
6	0.2728	-0.0772	-0.0592	0.6991	-0.1039	0.3197	0.0109	0.0246	-0.0158	0.0067	-0.0093	0.0774	-0.0029	-0.0046	-0.0016	0.0816	0.0024	-0.0688	0.0786	0.001	0.0684	28.372	-5.549	31.933
7	0.2593	-0.0896	0.0093	0.4675	-0.0414	0.0322	0.005	0.0121	0.0091	-0.0124	-0.0375	-0.0612	-0.0071	0.0182	0.0326	0.0789	0.0032	-0.0629	0.0648	0.0102	0.078	48.406	-4.238	34.844
8	2.8347	-1.7337	-3.1177	6.1437	4.3424	8.9506	-0.0164	-0.1423	0.3047	0.199	0.0104	-0.3197	0.0082	0.2386	0.006	0.0873	-0.0289	-0.0934	0.0565	0.0068	0.1565	56.865	9.558	44.433
9	0.887	-0.2848	-0.1754	0.4107	-0.1581	0.3248	-0.0871	-0.0743	-0.0232	0.0689	0.058	0.0094	-0.0501	-0.0272	0.0291	0.1365	0.0106	-0.0666	0.0954	0.0037	0.0487	45.339	-32.249	82.802
10	0.5835	-0.1081	0.1401	0.3405	-0.066	0.4363	0.0065	-0.0156	-0.0482	0.0399	0.0264	0.0543	-0.0337	-0.0292	-0.0329	0.1027	-0.0027	-0.0492	0.0688	0.0134	0.0635	38.628	-38.941	69.318
11	0.5685	-0.1656	0.2312	0.3495	-0.0861	0.2811	-0.0731	-0.0727	0.0218	0.1009	0.0705	0.0432	-0.0928	-0.0619	0.0026	0.1464	0.0343	-0.0569	0.0954	0.0013	0.0567	35.522	-21.311	78.84
12	12.9287	1.124	-3.8603	2.612	0.6694	3.538	0.0263	-0.3113	0.5732	0.1386	0.0227	-0.1687	-0.2157	0.2486	-0.049	0.1639	0.0195	-0.0982	0.0683	-0.0355	0.101	49.24	-10.24	85.39
13	0.6716	0.1007	-0.3941	0.16	-0.2826	0.6614	0.0064	-0.0267	-0.0471	0.0072	-0.0508	-0.0207	0.0429	0.0639	0.0445	0.0995	0.0019	-0.0557	0.0676	0.0079	0.0693	59.204	-41.639	45.992
14	0.1496	0.0172	-0.0562	0.5722	0.0229	0.518	-0.0167	-0.0077	0.0075	0.0867	-0.0052	-0.0614	-0.0069	0.0287	0.0219	0.0781	-0.0074	-0.0715	0.079	0.0052	0.0698	61.648	-29.014	56.228
15	0.084	-0.0403	0.0828	0.3401	-0.1342	0.2295	0.0304	0.0195	0.0057	0.0067	-0.027	-0.0142	0.0235	-0.0063	-0.0033	0.0806	0.0005	-0.0523	0.0623	0.0003	0.0605	52.629	-30.372	38.181
16	7.321	5.499	-5.4385	5.8106	-4.5738	8.3499	-0.0625	0.0911	-0.0457	-0.2233	0.0849	0.2382	0.2413	-0.199	-0.0224	0.0899	-0.0133	-0.0781	0.0568	-0.0137	0.0915	40.826	-44.281	33.209
17	0.6951	0.2035	-0.3358	0.8828	0.1912	0.8329	0.0525	-0.0161	-0.0537	0.0361	0.0397	-0.1786	-0.0269	0.1194	-0.0922	0.0388	-0.0098	-0.0611	0.0605	-0.0043	0.1279	27.551	-30.722	8.508
18	0.3477	0.0601	-0.0129	0.5765	0.0961	0.5039	-0.0048	0.0049	-0.0301	-0.0611	0.0046	-0.0793	-0.0653	0.0106	0.0002	0.0481	-0.0136	-0.0332	0.0266	0.0057	0.0604	14.334	-23.93	1.615
19	0.4166	0.0264	0.2004	0.5275	0.1324	0.5038	-0.0023	0.0313	-0.112	-0.0414	0.062	-0.162	-0.0063	0.0648	-0.0598	0.04	-0.0008	-0.036	0.0529	-0.0253	0.1439	23.629	-41.651	-1.337
20	3.2888	-0.2971	-2.8266	2.9606	-0.164	12.5389	0.0574	-0.1804	-0.333	0.1855	0.0897	-0.2261	0.4131	0.3185	-0.147	0.0705	0.0354	-0.0923	0.0587	0.0055	0.2012	30.758	-52.851	11.808
21	0.6462	0.1492	-0.3991	0.4154	-0.242	0.5599	0.031	-0.0556	0.0589	0.0296	-0.0353	0.0061	-0.0255	0.0351	0.0043	0.0566	-0.0095	-0.0419	0.0304	-0.0062	0.0491	-8.224	-20.909	22.32
22	0.5134	-0.0033	-0.1885	0.6015	-0.0293	0.2722	0.0405	-0.0597	-0.0208	0.0623	-0.0306	-0.0892	0.0132	0.0242	-0.0099	0.0637	-0.0114	-0.0579	0.0451	0.0093	0.0551	1.757	-33.648	25.042
23	0.3156	0.2779	0.0072	0.3786	0.0249	0.0686	0.0078	0.0039	0.0163	0.0162	-0.026	-0.0011	0.0116	-0.021	0.0182	0.0517	-0.0006	-0.0377	0.0248	-0.0042	0.041	-16.502	-32.176	16.444
24	7.5819	2.6313	-4.5774	4.0649	-4.5129	6.7396	-0.014	0.2738	0.2824	-0.1255	0.0673	0.1738	-0.1246	-0.1968	-0.0534	0.0991	0.0129	-0.0888	0.0434	0.0119	0.0961	-22.369	-18.558	4.984
25	0.7532	-0.0331	-0.124	0.69	-0.0511	0.5283	-0.0593	-0.0618	-0.0785	0.1071	0.0441	0.0688	0.0036	-0.0386	0.0152	0.0732	0.008	-0.0254	0.039	0.0205	0.05	0.426	13.192	28.192
26	0.4174	-0.0774	0.0369	0.5086	-0.0565	0.5123	0.0129	0.0034	-0.0407	0.0313	0.0065	0.1137	0.0361	-0.0082	-0.0194	0.0423	-0.0137	-0.0365	0.0133	0.0172	0.075	-2.021	6.615	13.362
27	0.2415	-0.1091	0.189	0.3998	0.0426	0.3984	-0.0375	-0.0407	-0.0483	0.0773	0.0496	0.1152	-0.0413	-0.0714	-0.0121	0.0718	0.0151	-0.0199	0.0456	0.0189	0.076	-8.094	23.988	21.678
28	10.9662	2.357	-0.802	1.096	0.1606	0.3399	-0.0561	-0.1675	0.1495	0.1501	0.0179	0.0412	-0.0251	0.0029	0.0382	0.2095	0.053	-0.0574	0.0512	-0.0163	0.0235	2.712	35.006	31.97
29	0.4205	0.0028	-0.1404	0.5367	-0.3545	0.4217	0.0332	-0.0181	-0.0298	-0.0798	-0.059	-0.0039	0.0443	0.0504	0.0257	0.0616	0.0097	-0.0463	0.0253	0.0031	0.0466	24.426	4.244	-3.199
30	0.3606	-0.0944	-0.0593	0.6096	0.0148	0.4743	-0.0079	-0.0043	-0.0023	0.0553	-0.0256	-0.0279	0.0029	0.0479	0.0335	0.0517	-0.0059	-0.0467	0.0432	0.0096	0.0458	23.734	16.767	7.461
31	0.1195	-0.0452	0.0135	0.5646	-0.0728	0.3081	0.0488	0.0363	-0.0194	-0.0815	-0.0523	-0.0258	0.0125	0.0055	0.0035	0.0711	0.013	-0.042	0.0267	0.0028	0.0379	20.256	15.494	-12.467
32	8.6344	6.3159	-4.4775	6.7121	-3.4981	5.1521	-0.0471	0.2344	-0.0344	-0.3091	0.1483	0.144	0.2822	-0.2502	-0.1011	0.1511	0.007	-0.0962	0.0395	-0.0197	0.0675	10.529	1.631	-20.635

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 57
2	X-RAY DIFFRACTION	2	A	58 - 167
3	X-RAY DIFFRACTION	3	A	168 - 277
4	X-RAY DIFFRACTION	4	A	278 - 293
5	X-RAY DIFFRACTION	5	B	1 - 57
6	X-RAY DIFFRACTION	6	B	58 - 167
7	X-RAY DIFFRACTION	7	B	168 - 277
8	X-RAY DIFFRACTION	8	B	278 - 293
9	X-RAY DIFFRACTION	9	C	1 - 57
10	X-RAY DIFFRACTION	10	C	58 - 167
11	X-RAY DIFFRACTION	11	C	168 - 277
12	X-RAY DIFFRACTION	12	C	278 - 293
13	X-RAY DIFFRACTION	13	D	1 - 57
14	X-RAY DIFFRACTION	14	D	58 - 167
15	X-RAY DIFFRACTION	15	D	168 - 277
16	X-RAY DIFFRACTION	16	D	278 - 293
17	X-RAY DIFFRACTION	17	E	1 - 57
18	X-RAY DIFFRACTION	18	E	58 - 167
19	X-RAY DIFFRACTION	19	E	168 - 277
20	X-RAY DIFFRACTION	20	E	278 - 293
21	X-RAY DIFFRACTION	21	F	1 - 57
22	X-RAY DIFFRACTION	22	F	58 - 167
23	X-RAY DIFFRACTION	23	F	168 - 277
24	X-RAY DIFFRACTION	24	F	278 - 293
25	X-RAY DIFFRACTION	25	G	1 - 57
26	X-RAY DIFFRACTION	26	G	58 - 167
27	X-RAY DIFFRACTION	27	G	168 - 277
28	X-RAY DIFFRACTION	28	G	278 - 293
29	X-RAY DIFFRACTION	29	H	1 - 57
30	X-RAY DIFFRACTION	30	H	58 - 167
31	X-RAY DIFFRACTION	31	H	168 - 277
32	X-RAY DIFFRACTION	32	H	278 - 293

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