PDB-9ggi: Crystal structure of argininosuccinate lyase from Arabidopsis tha...

ID or keywords:

Entry

Database: PDB / ID: 9ggi

Title

Crystal structure of argininosuccinate lyase from Arabidopsis thaliana (AtASL)

Components

Argininosuccinate lyase, chloroplastic

Keywords

LYASE / arginine / urea cycle / complex / argininosuccinate

Function / homology

Function and homology information

argininosuccinate lyase / argininosuccinate lyase activity / L-arginine biosynthetic process via ornithine / L-arginine biosynthetic process / chloroplast stroma / chloroplast
Similarity search - Function

Biological species

Arabidopsis thaliana (thale cress)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.55 Å

Authors

Nielipinski, M. / Pietrzyk-Brzezinska, A.J. / Krzeszewska, D. / Sekula, B.

Funding support

Poland, 1items

Citation

Journal: J.Struct.Biol. / Year: 2024
Title: Arabidopsis thaliana argininosuccinate lyase structure uncovers the role of serine as the catalytic base.
Authors: Nielipinski, M. / Nielipinska, D. / Pietrzyk-Brzezinska, A.J. / Sekula, B.

History

Deposition	Aug 13, 2024	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Oct 23, 2024	Provider: repository / Type: Initial release
Revision 1.1	Oct 30, 2024	Group: Database references / Category: citation / citation_author / Item: _citation.journal_volume / _citation_author.name

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9ggi.cif.gz	1.4 MB	Display	PDBx/mmCIF format
PDB format	pdb9ggi.ent.gz	1.2 MB	Display	PDB format
PDBx/mmJSON format	9ggi.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9ggi_validation.pdf.gz	535.5 KB	Display	wwPDB validaton report
Full document	9ggi_full_validation.pdf.gz	570.6 KB	Display
Data in XML	9ggi_validation.xml.gz	199.1 KB	Display
Data in CIF	9ggi_validation.cif.gz	280.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/gg/9ggi ftp://data.pdbj.org/pub/pdb/validation_reports/gg/9ggi	HTTPS FTP

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Related structure data

Related structure data	9ggjC C: citing same article (ref.)
Similar structure data	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	#127 - Jul 2010 Crystallins similarity (11) #154 - Oct 2012 Citric Acid Cycle similarity (7)

Deposited unit

A: Argininosuccinate lyase, chloroplastic

B: Argininosuccinate lyase, chloroplastic

C: Argininosuccinate lyase, chloroplastic

D: Argininosuccinate lyase, chloroplastic

E: Argininosuccinate lyase, chloroplastic

F: Argininosuccinate lyase, chloroplastic

G: Argininosuccinate lyase, chloroplastic

H: Argininosuccinate lyase, chloroplastic

hetero molecules

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

1

A: Argininosuccinate lyase, chloroplastic

B: Argininosuccinate lyase, chloroplastic

C: Argininosuccinate lyase, chloroplastic

D: Argininosuccinate lyase, chloroplastic

hetero molecules

defined by author
Evidence: gel filtration
211 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

E: Argininosuccinate lyase, chloroplastic

F: Argininosuccinate lyase, chloroplastic

G: Argininosuccinate lyase, chloroplastic

H: Argininosuccinate lyase, chloroplastic

hetero molecules

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

Unit cell

Length a, b, c (Å)	106.044, 229.542, 111.586
Angle α, β, γ (deg.)	90.00, 90.56, 90.00
Int Tables number	4
Space group name H-M	P12₁1

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Protein , 1 types, 8 molecules ABCDEFGH

#1: Protein	Argininosuccinate lyase, chloroplastic / Arginosuccinase Mass: 51979.062 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Arabidopsis thaliana (thale cress) / Gene: At5g10920, T30N20.190 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9LEU8, argininosuccinate lyase

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Non-polymers , 5 types, 4558 molecules

#2: Chemical	... ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 39 / Source method: obtained synthetically / Formula: SO₄
#3: Chemical	... ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 22 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Cl
#5: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Na
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 4490 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	N
Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.33 Å³/Da / Density % sol: 63.07 %
Crystal grow	Temperature: 294 K / Method: vapor diffusion, sitting drop / pH: 5.5 / Details: 0.1M BIS-TRIS pH 5.5, 2.0M Ammonium sulfate

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: MAX IV / Beamline: BioMAX / Wavelength: 0.976 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: May 12, 2023
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.976 Å / Relative weight: 1
Reflection	Resolution: 1.55→48.48 Å / Num. obs: 720570 / % possible obs: 94.1 % / Redundancy: 2.5 % / CC_1/2: 0.99 / R_merge(I) obs: 0.049 / R_rim(I) all: 0.061 / Net I/σ(I): 13
Reflection shell	Resolution: 1.55→1.61 Å / R_merge(I) obs: 0.606 / Mean I/σ(I) obs: 1.9 / Num. unique obs: 73727 / CC_1/2: 0.55 / R_rim(I) all: 0.775 / % possible all: 96.4

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0425	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing
PHENIX		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.55→48.45 Å / Cor.coef. F_o:F_c: 0.979 / Cor.coef. F_o:F_c free: 0.97 / SU B: 2.591 / SU ML: 0.047 / Cross valid method: THROUGHOUT / ESU R: 0.056 / ESU R Free: 0.059 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.17118	3603	0.5 %	RANDOM
R_work	0.14702	-	-	-
obs	0.14714	716967	94.1 %	-

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: 22.517 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.9 Å²	-0 Å²	0.6 Å²
2-	-	0.64 Å²	0 Å²
3-	-	-	1.25 Å²

Refinement step

Cycle: 1 / Resolution: 1.55→48.45 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	28197	0	334	4490	33021

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.012	0.012	29786
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.016	28524
X-RAY DIFFRACTION	r_angle_refined_deg	1.935	1.831	40482
X-RAY DIFFRACTION	r_angle_other_deg	0.682	1.767	65923
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.319	5	3851
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	5.702	5	205
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	12.459	10	5380
X-RAY DIFFRACTION	r_dihedral_angle_4_deg
X-RAY DIFFRACTION	r_chiral_restr	0.098	0.2	4668
X-RAY DIFFRACTION	r_gen_planes_refined	0.01	0.02	35095
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	6689
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	1.016	0.33	14663
X-RAY DIFFRACTION	r_mcbond_other	1.016	0.33	14663
X-RAY DIFFRACTION	r_mcangle_it	1.583	0.584	18383
X-RAY DIFFRACTION	r_mcangle_other	1.583	0.584	18384
X-RAY DIFFRACTION	r_scbond_it	2.707	0.627	15123
X-RAY DIFFRACTION	r_scbond_other	2.51	0.586	14968
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	3.788	0.927	21733
X-RAY DIFFRACTION	r_long_range_B_refined	8.17	9.33	36902
X-RAY DIFFRACTION	r_long_range_B_other	7.808	4.41	35067
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 1.551→1.592 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.267	272	-
R_work	0.271	54176	-
obs	-	-	96.25 %

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	2.3191	2.7283	-2.1767	4.4139	-4.1429	4.1495	0.1853	-0.4201	-0.0958	0.333	-0.3223	-0.199	-0.3077	0.1433	0.1369	0.3952	-0.0697	-0.1312	0.244	-0.0211	0.1896	52.03	19.338	25.109
2	0.3853	-0.7858	-0.0179	2.8809	0.5389	0.2016	-0.0739	-0.0422	0.0865	0.2595	0.0933	-0.1946	0.0216	0.0021	-0.0195	0.4441	-0.0484	-0.0739	0.1314	-0.0395	0.148	53.866	38.068	20.501
3	0.1452	-0.1034	-0.0856	0.1566	0.0876	0.0899	-0.0049	-0.0266	0.0109	-0.0183	-0.0018	-0.0153	-0.0343	0.0208	0.0067	0.3366	-0.0063	-0.0508	0.1776	-0.0007	0.1639	59.264	13.855	-0.306
4	3.5818	0.9668	3.9573	1.0812	0.5191	4.7855	0.1012	0.0228	-0.3375	-0.1697	0.0998	-0.2452	0.1037	-0.0619	-0.201	0.4752	0.0118	-0.0965	0.128	-0.0892	0.1662	69.289	-8.674	-31.843
5	0.1942	0.2086	0.0365	2.2153	1.3767	1.0068	-0.0701	0.1388	-0.0074	0.0102	0.2208	-0.1518	0.0217	0.1388	-0.1507	0.3631	-0.017	-0.0283	0.2186	-0.0382	0.1339	72.055	-3.511	-30.935
6	4.8559	1.8916	2.4537	15.7031	6.3156	3.1618	0.3758	-0.0349	0.0824	0.2665	-0.6207	0.5735	0.207	-0.2213	0.2449	0.4134	-0.0796	-0.1088	0.3151	-0.1479	0.2219	45.258	-27.593	-13.516
7	0.1357	0.2261	-0.1143	0.4666	-0.2277	1.533	0.0043	0.0292	-0.0007	-0.1072	0.0021	0.0982	0.0196	-0.0428	-0.0064	0.3768	0.0001	-0.0932	0.1964	-0.0192	0.1277	45.443	-2.596	-30.587
8	0.4678	-0.6642	-1.0222	1.7982	0.7458	2.8519	-0.1164	0.0978	-0.0177	-0.051	0.0344	-0.0025	0.394	-0.292	0.082	0.4003	-0.0669	-0.1133	0.194	-0.0296	0.1095	37.741	-9.328	-28.558
9	0.1303	-0.0438	-0.0669	0.0538	0.0734	0.1056	-0.0144	0.019	0.0107	-0.0465	-0.015	0.0316	-0.0266	-0.0141	0.0294	0.3425	0.0052	-0.0622	0.1843	-0.0041	0.1597	38.46	11.002	-9.813
10	13.1209	5.8784	1.3633	7.8054	-2.7374	2.3104	-0.3794	-0.5221	0.6663	0.1579	0.5682	0.6769	-0.2395	-0.5689	-0.1888	0.3781	-0.011	-0.015	0.4162	-0.0486	0.2873	12.101	5.45	11.438
11	0.54	-0.2227	-0.1925	0.1831	0.118	0.1123	-0.0335	-0.025	-0.0367	-0.0538	0.0038	0.0292	-0.0039	-0.0061	0.0297	0.324	0.0014	-0.0606	0.1868	-0.0021	0.167	37.502	3.921	-3.563
12	12.7547	9.6354	12.143	13.6154	18.0124	23.9013	0.666	-0.9372	-0.1242	0.2382	-0.8864	0.1	0.2478	-1.1896	0.2204	0.2555	0.0427	-0.0067	0.257	-0.0471	0.3859	14.888	24.827	17.661
13	0.956	1.4605	0.9285	2.2828	1.4445	0.9933	0.1157	-0.1955	0.131	0.0343	-0.3195	0.2616	0.0518	-0.1122	0.2038	0.3673	0.0339	-0.0951	0.2199	-0.0943	0.2198	26.285	41.232	26.49
14	0.3462	0.26	0.6785	1.9082	2.1228	4.8468	0.0361	0.0334	0.2378	-0.1109	-0.0674	0.1655	-0.0647	-0.0744	0.0313	0.3558	0.0429	-0.0855	0.1186	0.0192	0.2901	27.956	33.336	-1.157
15	19.1245	-21.148	0.5059	29.5072	-2.1719	14.3637	1.0669	1.0818	-0.1869	-1.0946	-0.0384	0.6428	-0.5982	-0.5414	-1.0285	0.414	-0.0176	-0.109	0.3621	0.054	0.3116	18.429	3.394	-7.468
16	0.5123	0.3452	-0.2696	0.3898	-0.4528	0.799	-0.0885	0.032	-0.0293	-0.1156	0.0658	0.0279	0.0791	-0.1225	0.0227	0.2928	-0.0363	-0.076	0.2019	-0.0004	0.2061	18.871	-20.107	7.739
17	3.7459	0.2172	-1.0119	0.3897	-0.6249	1.132	-0.2631	0.5309	0.1196	-0.0497	0.2612	-0.022	0.1632	-0.4693	0.0018	0.2966	-0.0916	-0.1278	0.2691	0.0084	0.1347	15.675	-19.808	-0.538
18	0.2516	-0.0232	-0.0863	0.0276	-0.0036	0.0632	0.0045	-0.0234	-0.0416	-0.0239	-0.0045	0.0108	0.0061	-0.0004	-0	0.3026	-0.005	-0.0468	0.1915	0.0085	0.1839	46.931	-17.881	7.813
19	1.5475	-0.6458	-5.9395	0.3561	2.5496	22.951	-0.3366	0.0331	-0.1255	0.017	-0.1792	0.0504	1.0016	-0.1858	0.5158	0.6332	0.0681	0.0684	0.3758	-0.0148	0.4201	64.574	-15.794	-23.871
20	0.3371	-0.1237	-0.1295	0.1064	0.1359	0.1824	0.0177	0.0011	-0.0268	-0.035	-0.0032	0.0079	-0.0232	-0.0128	-0.0145	0.3284	-0.0028	-0.0422	0.1784	-0.0009	0.1659	49.61	-12.062	-0.514
21	3.1995	0.8276	0.1001	0.4978	-0.053	0.0337	-0.0257	-0.0031	-0.1102	-0.0371	0.0066	-0.0364	0.026	0.033	0.0191	0.2748	-0.002	-0.0557	0.2244	0.0305	0.1763	85.433	-21.783	9.928
22	30.2532	11.6316	-20.2394	6.7964	-4.699	28.463	0.68	-0.3961	0.9082	-0.004	-0.7191	-0.5296	-1.3659	0.4009	0.0391	0.3872	-0.0574	-0.0316	0.243	0.343	0.7079	77.371	12.746	7.756
23	0.4058	-0.4644	0.3478	1.3712	-0.5722	0.4652	-0.0593	-0.0085	-0.0068	0.1449	-0.027	-0.0685	-0.1095	0.0391	0.0862	0.3083	-0.0225	-0.0804	0.2204	0.0243	0.1624	74.88	-7.212	27.404
24	3.3539	-1.2641	-0.1159	1.47	-0.5603	0.3738	-0.2872	0.0595	0.4307	0.2385	0.0952	-0.4845	-0.0496	-0.0724	0.1919	0.3236	-0.0537	-0.1735	0.1426	0.0147	0.238	78.441	1.217	29.221
25	0.2339	-0.0744	-0.0406	0.0496	0.0163	0.0399	-0.0048	-0.0734	-0.006	-0.0028	-0.0109	0.0057	-0.0101	0.015	0.0157	0.2983	-0.0016	-0.0475	0.215	0.0082	0.1674	47.074	-4.334	23.898
26	0.4352	-0.1737	-0.2278	0.131	0.1608	0.2089	-0.0049	-0.0474	0.0361	-0.0259	-0.0056	-0.018	-0.0117	0.0064	0.0105	0.3202	0.0008	-0.0475	0.2011	-0.0036	0.158	48.118	5.11	19.31
27	23.7231	2.1418	7.4634	5.3946	3.8249	4.2579	-0.3725	-0.5994	0.66	0.0853	0.0956	0.1679	-0.0286	-0.1038	0.2768	0.3657	0.0075	0.0137	0.2177	-0.0624	0.349	15.434	11.887	29.874
28	2.3371	1.2023	0.6852	1.5394	1.2524	1.0923	-0.0007	-0.02	0.225	-0.0943	-0.0186	0.0653	-0.0549	-0.0547	0.0193	0.2247	-0.0202	-0.0792	0.1975	0.0299	0.2796	0.762	-3.392	21.491
29	2.2872	0.0793	1.0913	0.4507	0.0555	0.5357	0.0634	-0.2236	-0.0509	0.0808	-0.0861	0.0778	0.034	-0.0704	0.0227	0.2826	-0.0121	-0.0297	0.2602	0.0299	0.1781	24.264	-8.748	33.77
30	0.9243	-1.4299	3.2129	2.5205	-3.1238	22.7178	0.2654	0.1222	0.1369	-0.5337	-0.2131	-0.3408	0.3342	0.3189	-0.0523	0.3948	0.0547	0.0464	0.4336	-0.0434	0.2791	46.906	-65.473	22.866
31	0.4173	0.6763	-0.2251	2.3358	0.2459	0.4273	-0.076	-0.0399	-0.0686	-0.2056	0.0704	-0.1693	0.0332	0.0726	0.0056	0.4204	0.0307	-0.0229	0.1357	-0.0328	0.155	52.411	-85.675	37.361
32	0.0777	0.0871	0.035	0.1383	0.0223	0.0836	-0.0118	0.0188	-0.0023	0.0111	-0.0062	-0.0027	0.038	0.0279	0.0181	0.3361	0.0046	-0.0309	0.1834	-0.0067	0.1586	56.756	-65.262	54.182
33	0.0089	-0.067	-0.0501	1.8745	1.5955	1.3988	0.0279	0.033	0.0133	0.1666	-0.172	0.0363	0.0716	-0.1479	0.1441	0.426	-0.0265	-0.1042	0.1618	0.009	0.2176	67.585	-37.385	87.137
34	0.0346	0.0863	0.0996	2.2244	1.0598	0.7387	-0.0119	-0.0346	-0.0027	0.1355	0.1149	-0.1003	0.0916	0.104	-0.103	0.3564	0.0185	-0.047	0.1973	-0.0295	0.1442	70.296	-50.094	86.282
35	0.3881	-2.6417	-1.2953	18.929	9.3527	4.6269	0.0188	-0.0323	-0.0358	-0.6916	-0.2491	0.4291	-0.3687	-0.1618	0.2302	0.4878	0.1532	0.0474	0.2971	-0.1821	0.1771	45.453	-19.78	66.86
36	0.0622	-0.1515	-0.0633	0.4979	-0.1785	1.5283	-0.005	-0.0016	0.0087	0.0935	-0.0191	0.0482	-0.0557	-0.0379	0.0241	0.3689	-0.0238	0.0056	0.1898	-0.0297	0.1391	42.978	-44.971	83.999
37	11.7572	-5.1521	9.183	4.22	-6.0513	11.392	-0.0113	-0.1392	-0.1067	0.4444	0.0938	0.396	-0.138	-0.5022	-0.0825	0.3566	-0.0204	0.061	0.2783	-0.1199	0.1649	31.182	-41.858	86.021
38	0.3723	0.3869	1.0869	0.7268	0.8952	3.3489	-0.0774	-0.0425	0.0205	-0.0499	-0.1046	-0.1825	-0.2107	-0.0697	0.1819	0.3916	0.009	-0.0384	0.1304	-0.0581	0.2571	41.692	-36.272	84.172
39	0.1321	0.0511	0.0938	0.0869	0.0998	0.132	-0.0067	0.0055	0.0115	0.0405	-0.0218	0.0363	0.0217	-0.0028	0.0285	0.3298	-0.0086	-0.0236	0.1861	-0.0109	0.1642	35.268	-58.486	60.164
40	14.1839	-13.8247	-11.9543	14.1188	12.4537	11.2065	0.4278	1.0964	-0.2579	-0.3891	-0.9293	0.4459	-0.1553	-0.9421	0.5015	0.3766	-0.1733	-0.0905	0.3588	-0.0476	0.2011	14.329	-73.894	35.733
41	0.7003	-0.2429	-0.3509	0.7403	0.6644	0.6677	0.0412	0.0602	0.0832	0.0324	-0.1102	0.0765	0.0531	-0.0441	0.0689	0.34	-0.0053	-0.0304	0.1603	-0.0484	0.1925	24.015	-90.686	28.568
42	0.3078	-0.4318	-0.5818	1.9754	1.6494	3.5661	0.0215	-0.0326	-0.2195	0.1684	-0.0234	0.1822	0.1156	-0.0269	0.0019	0.3405	-0.052	0.0194	0.1418	-0.0068	0.2478	25.043	-80.449	56.87
43	25.5232	11.5852	-8.6061	23.2355	-5.9563	10.3398	0.3205	-0.7239	-0.3664	0.9837	0.181	0.7662	0.2531	-0.5025	-0.5015	0.4301	0.0844	0.0589	0.3237	0.0153	0.2927	16.987	-50.39	60.361
44	0.4517	-0.4522	0.4823	0.7938	-0.8314	1.1537	-0.0612	0.0224	0.0108	0.1249	0.0819	0.0458	-0.0889	-0.0638	-0.0206	0.2972	0.0227	-0.0213	0.1964	0.0063	0.1997	19.421	-27.761	44.275
45	3.1054	-0.5176	1.0838	0.3724	-0.652	1.8152	-0.2361	-0.3673	-0.1391	0.0472	0.2875	-0.0511	-0.1988	-0.4158	-0.0513	0.2878	0.077	0.0085	0.2682	-0.0028	0.1491	15.765	-27.644	52.326
46	0.4464	-0.0125	0.131	0.0286	-0.0173	0.0678	-0.0118	0.0159	0.0712	0.0026	-0.0016	0.0048	-0.0027	-0.0039	0.0133	0.2944	0.0003	-0.0437	0.1928	0.0136	0.1916	44.339	-31.333	42.6
47	0.4532	0.144	0.1965	0.1015	0.1408	0.198	-0.0002	-0.0092	0.0335	0.0152	0.0005	0.0128	0.0116	0.0028	-0.0003	0.322	-0.0041	-0.0446	0.1849	-0.0008	0.1663	53.498	-36.012	58.006
48	2.5055	0.0568	-1.3237	0.761	0.8531	1.7289	0.0701	-0.2364	-0.1095	0.0263	-0.0207	-0.0887	0.0176	0.1048	-0.0494	0.2245	-0.0009	-0.0596	0.2801	0.0712	0.187	93.548	-33.993	46.612
49	2.5437	-1.0028	-0.7279	0.5553	0.057	0.6582	0.0643	0.045	0.234	0.0022	0.007	-0.0211	-0.0942	0.1022	-0.0713	0.2894	-0.0317	-0.0462	0.1964	0.0593	0.2401	69.034	-21.038	43.37
50	14.1275	-10.8405	13.1699	9.2379	-14.7935	36.1745	-1.6609	1.2187	-0.8418	0.657	-1.1187	-0.0518	1.5909	2.0637	2.7796	0.883	0.1572	0.2025	0.2568	-0.1704	1.0644	74.55	-62.978	48.24
51	0.7175	0.7062	-0.3468	1.6808	-0.1913	0.3191	-0.0866	0.0723	0.0202	-0.1268	0.0418	-0.024	0.0797	0.0273	0.0448	0.2952	0.0155	-0.011	0.2297	0.0219	0.1639	75.673	-44.029	26.957
52	4.0242	1.2151	-0.2174	2.0262	-1.4523	1.3248	-0.3659	0.0674	-0.6191	-0.2147	0.058	-0.421	-0.0605	-0.0627	0.3079	0.2911	0.0309	0.0506	0.16	-0.0013	0.2201	75.609	-55.223	26.514
53	0.231	0.0671	0.0101	0.1057	0.0021	0.0035	0.0022	0.05	0.0017	-0.0149	-0.0186	-0.0022	0.0154	0.0092	0.0164	0.309	-0.0007	-0.0359	0.2122	0.0039	0.1592	49.358	-48.611	31.509
54	3.1652	-1.1194	-0.5553	0.3981	0.1966	0.1075	0.0395	0.1159	-0.1656	0.0056	-0.031	0.0603	0.0222	-0.0479	-0.0085	0.2399	-0.025	-0.0765	0.2066	0.0142	0.2675	3.215	-45.632	29.151
55	4.2686	-1.0983	-2.05	0.8953	0.2271	1.3538	0.0749	0.3088	0.0761	-0.1566	-0.1321	0.1465	-0.0199	-0.0179	0.0572	0.2982	0.0114	-0.0741	0.2687	0.0344	0.1863	27.318	-39.795	18.585

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	67 - 89
2	X-RAY DIFFRACTION	2	A	90 - 158
3	X-RAY DIFFRACTION	3	A	159 - 412
4	X-RAY DIFFRACTION	4	A	413 - 438
5	X-RAY DIFFRACTION	5	A	439 - 517
6	X-RAY DIFFRACTION	6	B	63 - 75
7	X-RAY DIFFRACTION	7	B	76 - 116
8	X-RAY DIFFRACTION	8	B	117 - 145
9	X-RAY DIFFRACTION	9	B	146 - 336
10	X-RAY DIFFRACTION	10	B	337 - 341
11	X-RAY DIFFRACTION	11	B	342 - 410
12	X-RAY DIFFRACTION	12	B	411 - 418
13	X-RAY DIFFRACTION	13	B	419 - 487
14	X-RAY DIFFRACTION	14	B	488 - 515
15	X-RAY DIFFRACTION	15	C	68 - 75
16	X-RAY DIFFRACTION	16	C	76 - 116
17	X-RAY DIFFRACTION	17	C	117 - 160
18	X-RAY DIFFRACTION	18	C	161 - 332
19	X-RAY DIFFRACTION	19	C	333 - 340
20	X-RAY DIFFRACTION	20	C	341 - 419
21	X-RAY DIFFRACTION	21	C	420 - 515
22	X-RAY DIFFRACTION	22	D	68 - 75
23	X-RAY DIFFRACTION	23	D	76 - 116
24	X-RAY DIFFRACTION	24	D	117 - 158
25	X-RAY DIFFRACTION	25	D	159 - 336
26	X-RAY DIFFRACTION	26	D	337 - 410
27	X-RAY DIFFRACTION	27	D	411 - 416
28	X-RAY DIFFRACTION	28	D	417 - 483
29	X-RAY DIFFRACTION	29	D	484 - 515
30	X-RAY DIFFRACTION	30	E	68 - 78
31	X-RAY DIFFRACTION	31	E	79 - 142
32	X-RAY DIFFRACTION	32	E	143 - 412
33	X-RAY DIFFRACTION	33	E	413 - 456
34	X-RAY DIFFRACTION	34	E	457 - 517
35	X-RAY DIFFRACTION	35	F	63 - 74
36	X-RAY DIFFRACTION	36	F	75 - 116
37	X-RAY DIFFRACTION	37	F	117 - 130
38	X-RAY DIFFRACTION	38	F	131 - 160
39	X-RAY DIFFRACTION	39	F	161 - 408
40	X-RAY DIFFRACTION	40	F	409 - 421
41	X-RAY DIFFRACTION	41	F	422 - 489
42	X-RAY DIFFRACTION	42	F	490 - 515
43	X-RAY DIFFRACTION	43	G	68 - 75
44	X-RAY DIFFRACTION	44	G	76 - 116
45	X-RAY DIFFRACTION	45	G	117 - 160
46	X-RAY DIFFRACTION	46	G	161 - 303
47	X-RAY DIFFRACTION	47	G	304 - 419
48	X-RAY DIFFRACTION	48	G	420 - 485
49	X-RAY DIFFRACTION	49	G	486 - 515
50	X-RAY DIFFRACTION	50	H	68 - 77
51	X-RAY DIFFRACTION	51	H	78 - 116
52	X-RAY DIFFRACTION	52	H	117 - 145
53	X-RAY DIFFRACTION	53	H	146 - 409
54	X-RAY DIFFRACTION	54	H	410 - 487
55	X-RAY DIFFRACTION	55	H	488 - 515

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