PDB-7qx8: Crystal structure of serine hydroxymethyltransferase, isoform 7 f...

ID or keywords:

Entry

Database: PDB / ID: 7qx8

Title

Crystal structure of serine hydroxymethyltransferase, isoform 7 from Arabidopsis thaliana (SHM7)

Components

Serine hydroxymethyltransferase 7

Keywords

TRANSFERASE / one-carbon metabolism / tetrahydrofolate

Function / homology

Function and homology information

sulfate ion homeostasis / glycine hydroxymethyltransferase / glycine hydroxymethyltransferase activity / glycine biosynthetic process from serine / S-adenosylmethionine metabolic process / tetrahydrofolate interconversion / response to cadmium ion / pyridoxal phosphate binding / nucleus / cytoplasm
Similarity search - Function

Biological species

Arabidopsis thaliana (thale cress)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.74 Å

Authors

Ruszkowski, M. / Grzechowiak, M. / Sekula, B.

Funding support

1items

Citation

Journal: Plant Physiol Biochem. / Year: 2022
Title: Arabidopsis thaliana serine hydroxymethyltransferases: functions, structures, and perspectives.
Authors: Nogues, I. / Sekula, B. / Angelaccio, S. / Grzechowiak, M. / Tramonti, A. / Contestabile, R. / Ruszkowski, M.

History

Deposition	Jan 26, 2022	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Aug 24, 2022	Provider: repository / Type: Initial release
Revision 1.1	Jan 31, 2024	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7qx8.cif.gz	2 MB	Display	PDBx/mmCIF format
PDB format	pdb7qx8.ent.gz	1.7 MB	Display	PDB format
PDBx/mmJSON format	7qx8.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	7qx8_validation.pdf.gz	543.7 KB	Display	wwPDB validaton report
Full document	7qx8_full_validation.pdf.gz	625 KB	Display
Data in XML	7qx8_validation.xml.gz	175.8 KB	Display
Data in CIF	7qx8_validation.cif.gz	239.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/qx/7qx8 ftp://data.pdbj.org/pub/pdb/validation_reports/qx/7qx8	HTTPS FTP

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Related structure data

Related structure data	7pzzSC 7q00C 7qpeC S: Starting model for refinement 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

Deposited unit

A: Serine hydroxymethyltransferase 7

B: Serine hydroxymethyltransferase 7

C: Serine hydroxymethyltransferase 7

D: Serine hydroxymethyltransferase 7

E: Serine hydroxymethyltransferase 7

F: Serine hydroxymethyltransferase 7

G: Serine hydroxymethyltransferase 7

H: Serine hydroxymethyltransferase 7

I: Serine hydroxymethyltransferase 7

J: Serine hydroxymethyltransferase 7

K: Serine hydroxymethyltransferase 7

L: Serine hydroxymethyltransferase 7

638 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Serine hydroxymethyltransferase 7

B: Serine hydroxymethyltransferase 7

C: Serine hydroxymethyltransferase 7

D: Serine hydroxymethyltransferase 7

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

2

E: Serine hydroxymethyltransferase 7

F: Serine hydroxymethyltransferase 7

G: Serine hydroxymethyltransferase 7

H: Serine hydroxymethyltransferase 7

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

3

I: Serine hydroxymethyltransferase 7

J: Serine hydroxymethyltransferase 7

K: Serine hydroxymethyltransferase 7

L: Serine hydroxymethyltransferase 7

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

Unit cell

Length a, b, c (Å)	199.832, 123.955, 290.536
Angle α, β, γ (deg.)	90.000, 93.170, 90.000
Int Tables number	5
Space group name H-M	C121

#1: Protein	Serine hydroxymethyltransferase 7 / AtSHMT7 / Glycine hydroxymethyltransferase 7 / Serine methylase 7 Mass: 53156.672 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Arabidopsis thaliana (thale cress) / Gene: SHM7, SHMT7, At1g36370, F7F23.9 Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria) References: UniProt: Q84WV0, glycine hydroxymethyltransferase
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 256 / Source method: isolated from a natural source / Formula: H₂O

#1: Protein

Serine hydroxymethyltransferase 7 / AtSHMT7 / Glycine hydroxymethyltransferase 7 / Serine methylase 7

Mass: 53156.672 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Arabidopsis thaliana (thale cress) / Gene: SHM7, SHMT7, At1g36370, F7F23.9
Production host:

Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria)
References: UniProt: Q84WV0, glycine hydroxymethyltransferase

#2: 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: 2.82 Å³/Da / Density % sol: 56.32 %
Crystal grow	Temperature: 292 K / Method: vapor diffusion, sitting drop / pH: 6 Details: 75 mM magnesium chloride, 75 mM sodium citrate tribasic, 0.1 M Bis-Tris pH 6.0, 18 % v/v PEG Smear Broad (based on G8 condition of the BCS screen, Molecular Dimensions). Cryoprotection was ...Details: 75 mM magnesium chloride, 75 mM sodium citrate tribasic, 0.1 M Bis-Tris pH 6.0, 18 % v/v PEG Smear Broad (based on G8 condition of the BCS screen, Molecular Dimensions). Cryoprotection was obtained by supplementation of the original condition with 25% ethylene glycol.

Crystal

Density Matthews: 2.82 Å³/Da / Density % sol: 56.32 %

Crystal grow

Temperature: 292 K / Method: vapor diffusion, sitting drop / pH: 6
Details: 75 mM magnesium chloride, 75 mM sodium citrate tribasic, 0.1 M Bis-Tris pH 6.0, 18 % v/v PEG Smear Broad (based on G8 condition of the BCS screen, Molecular Dimensions). Cryoprotection was ...

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 6, 2018
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.74→58 Å / Num. obs: 121503 / % possible obs: 65.8 % / Redundancy: 4 % / CC_1/2: 0.997 / R_merge(I) obs: 0.092 / R_rim(I) all: 0.106 / Net I/σ(I): 10.9
Reflection shell	Resolution: 2.74→3.07 Å / Redundancy: 4.36 % / R_merge(I) obs: 0.55 / Mean I/σ(I) obs: 2.9 / Num. unique obs: 6069 / CC_1/2: 0.841 / R_rim(I) all: 0.627 / % possible all: 65.3

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0267	refinement
XDS		data reduction
STARANISO		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 7pzz

7pzz

Resolution: 2.74→58 Å / Cor.coef. F_o:F_c: 0.938 / Cor.coef. F_o:F_c free: 0.915 / SU B: 32.758 / SU ML: 0.301 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.423 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2269	1220	1 %	RANDOM
R_work	0.1871	-	-	-
obs	0.1875	120290	65.19 %	-

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: 226.33 Å² / B_iso mean: 76.571 Å² / B_iso min: 14.58 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.14 Å²	0 Å²	-0.38 Å²
2-	-	-1.24 Å²	0 Å²
3-	-	-	2.41 Å²

Refinement step

Cycle: final / Resolution: 2.74→58 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	41391	0	0	256	41647
B_iso mean	-	-	-	41.13	-
Num. residues	-	-	-	-	5305

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.01	0.013	42290
X-RAY DIFFRACTION	r_bond_other_d	0.004	0.015	40289
X-RAY DIFFRACTION	r_angle_refined_deg	1.587	1.645	57115
X-RAY DIFFRACTION	r_angle_other_deg	1.333	1.58	92847
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.844	5	5271
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	31.711	21.774	2193
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	17.27	15	7372
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	20.497	15	300
X-RAY DIFFRACTION	r_chiral_restr	0.065	0.2	5577
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.02	47747
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	9693

LS refinement shell

Resolution: 2.74→2.808 Å / R_factor R_free error: 0

	R_factor	Num. reflection	% reflection
R_free	0.246	3	-
R_work	0.264	320	-
obs	-	-	2.36 %

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	0.8166	-0.2943	0.2738	0.8737	0.0026	0.5071	0.0164	-0.0576	-0.0705	0.1904	0.0032	0.0543	0.0871	-0.0153	-0.0196	0.4813	0.0096	0.0334	0.7411	-0.0016	0.3706	94.6153	23.4462	102.5954
2	0.2775	-0.3797	-0.3453	1.2003	0.187	0.7486	0.141	-0.0561	-0.0459	-0.3011	-0.2173	0.0344	-0.0888	-0.1107	0.0763	0.547	0.1269	-0.078	0.6797	-0.0801	0.4034	89.1389	33.9506	75.0099
3	0.3088	0.2742	-0.0981	1.0969	0.3604	0.8304	0.1492	-0.0614	-0.0514	-0.2093	-0.1983	-0.0061	-0.0932	-0.1396	0.0491	0.4733	0.0908	-0.0432	0.6888	-0.0291	0.4048	91.6086	39.0432	86.9097
4	1.921	-0.1162	-1.2404	1.2598	-0.7694	1.5228	0.062	-0.1206	-0.0413	-0.0086	-0.2829	-0.154	-0.1282	-0.0066	0.221	0.49	0.0302	-0.0112	0.6717	-0.0179	0.422	108.2856	50.9868	94.2335
5	1.0459	-0.4099	-0.5205	1.3916	0.263	0.3216	0.1315	-0.1362	-0.0606	0.2265	-0.0268	-0.0745	-0.0526	-0.0301	-0.1046	0.4837	-0.0005	-0.0307	0.7544	0.0252	0.3561	97.6361	25.0606	102.781
6	0.242	-0.2914	-0.0645	1.3196	-0.0439	1.0685	0.0811	-0.0636	-0.1095	-0.0575	-0.0062	-0.0504	0.1789	0.1246	-0.0748	0.5343	0.1147	-0.0548	0.5667	-0.0163	0.5337	108.6092	5.3542	82.9865
7	0.8638	0.2344	-0.6645	1.8892	-0.1696	1.4645	-0.0404	-0.1087	-0.188	0.0413	-0.0168	0.2749	0.2619	-0.1322	0.0572	0.4998	0.0146	-0.0467	0.5763	0.109	0.478	94.5355	-0.0842	98.2534
8	1.6181	-0.1648	-0.2294	1.562	-0.2909	0.4728	0.0036	0.0323	0.1776	-0.4344	-0.0131	0.0436	0.0577	-0.1312	0.0095	0.6687	0.069	-0.0423	0.5347	0.0325	0.3731	100.5816	7.6026	23.5118
9	0.2653	-0.6224	-0.3289	2.011	0.3969	1.2815	-0.133	-0.13	0.0507	0.136	0.1057	0.0384	0.2201	-0.0515	0.0274	0.5466	-0.0023	0.0251	0.6166	0.0067	0.4308	98.2399	-5.0574	52.7361
10	0.8974	-0.7749	-0.3214	0.7594	0.1093	1.0223	0.006	0.0179	0.0682	-0.0082	-0.0602	0.0672	0.1884	-0.1197	0.0541	0.6065	-0.0477	-0.016	0.5492	-0.0269	0.4123	100.6464	-7.9691	39.8762
11	2.9642	0.7274	0.3432	1.6787	-0.3353	2.5977	0.1361	-0.16	0.1401	-0.0672	-0.3104	-0.1473	0.0486	0.3595	0.1743	0.5905	0.0262	0.1059	0.545	0.0348	0.417	121.7724	-13.307	38.1961
12	6.2606	-0.6374	3.439	1.4997	-1.3609	4.6844	0.2567	0.1828	0.7611	-0.3627	-0.7389	-0.4369	0.3455	0.5217	0.4821	0.402	0.0138	0.2398	0.6094	0.1231	0.4389	128.9871	-8.8058	28.9221
13	0.9909	0.01	-0.2771	1.8912	0.4159	0.2892	0.0987	0.0784	0.2304	-0.4842	-0.0465	-0.1347	0.1088	-0.0099	-0.0522	0.6766	0.0574	0.0364	0.5599	0.0662	0.3429	104.1881	5.7067	23.6617
14	0.4313	-0.3712	0.1669	1.4948	-0.0765	1.6672	-0.0336	-0.0943	0.3487	-0.0293	0.2043	-0.1229	-0.0911	-0.107	-0.1707	0.5157	0.0102	0.0549	0.3569	-0.0771	0.7591	104.0718	29.7067	43.9174
15	0.4532	-0.5744	0.1868	1.4291	0.4933	1.069	0.0902	-0.0416	0.124	-0.3146	0.0345	-0.0084	-0.1864	0.0275	-0.1247	0.5274	0.0526	0.0614	0.3559	0.1506	0.7239	97.4802	28.4116	31.1227
16	3.9024	0.3411	0.1902	2.4842	2.0985	1.824	-0.119	0.0332	0.3105	-0.5818	-0.4792	0.7231	-0.3361	-0.3367	0.5982	0.6325	0.2908	-0.27	0.5934	0.2593	0.6694	77.2229	27.9019	19.4642
17	1.7308	0.7245	0.0172	2.0759	1.0115	1.3377	-0.4355	-0.342	-0.4106	0.2453	0.2139	-0.1932	0.1395	-0.0449	0.2216	0.5275	-0.0136	0.2004	0.5156	0.116	0.5372	36.0965	-2.3466	70.3833
18	1.766	-0.9158	-0.8295	1.4896	-0.2612	1.3589	-0.3033	0.349	-0.3081	-0.2013	-0.028	-0.0901	0.0729	-0.4516	0.3313	0.5516	-0.2497	0.0823	0.656	-0.2334	0.3797	24.7486	1.9725	43.057
19	0.6416	-0.8299	-0.5381	2.1302	0.4223	1.8149	-0.2887	0.1846	-0.1918	-0.0351	0.0533	-0.1086	-0.1106	-0.5152	0.2353	0.5097	-0.1121	0.0926	0.5512	-0.0563	0.439	24.5962	12.0976	56.8385
20	1.7491	0.6414	-1.4165	2.7485	-1.3313	2.4734	-0.1862	0.1271	-0.2198	-0.0151	0.0681	-0.2033	-0.3985	-0.3162	0.1181	0.641	0.016	-0.0615	0.5231	-0.0564	0.3835	27.1562	26.9411	59.5209
21	1.5905	3.2514	-1.7111	7.2061	-4.3384	4.554	-0.1686	-0.0857	-0.4406	0.208	-0.2522	-0.7436	-0.6484	0.2601	0.4209	0.7395	-0.0813	-0.0118	0.5828	-0.0518	0.4315	34.5255	28.7886	69.6506
22	1.9089	-0.4991	-1.0177	1.1132	0.2116	0.6318	-0.3554	-0.3272	-0.2186	0.0462	0.1343	-0.0956	0.0614	0.0808	0.2211	0.5731	0.0233	0.0908	0.563	0.087	0.4943	36.8652	1.2529	70.9147
23	1.4151	-0.4722	-0.711	0.8416	0.1555	1.3213	-0.3317	-0.1273	-0.263	-0.2896	-0.0201	-0.2171	0.0317	0.1424	0.3519	0.438	0.0054	0.382	0.4438	0.0319	0.7709	57.4179	-5.2779	50.4553
24	0.7883	-0.1995	-0.4617	2.1945	-0.2527	0.9894	-0.4652	-0.3267	-0.3861	-0.2836	0.0589	-0.22	0.2949	0.2002	0.4062	0.5092	0.2485	0.4627	0.2644	0.3356	0.8969	52.9505	-24.1491	67.0023
25	2.3184	-0.3618	0.9812	1.4016	-0.1575	0.4292	-0.505	0.1417	-0.7428	0.0507	0.6956	0.4979	-0.148	0.0994	-0.1906	0.8153	0.1167	0.6785	0.5061	0.4749	1.1458	38.9776	-32.0563	72.8843
26	0.4273	-0.4588	-1.101	0.4999	1.1749	3.0145	-0.3103	0.3883	-0.2412	0.2662	-0.4361	0.2065	0.5788	-0.835	0.7464	0.8336	-0.3408	0.2797	0.6649	-0.229	0.61	48.6549	-9.097	-8.9469
27	1.6053	-0.5337	-0.1761	0.2309	-0.0748	2.4844	-0.9602	0.029	-0.1064	0.3524	-0.1256	0.0524	0.8273	-0.0263	1.0857	1.4033	-0.1755	0.7423	0.1975	-0.1641	0.7221	52.2248	-21.3885	17.5058
28	1.4306	-0.9281	-1.9304	0.6428	1.1486	4.1386	-0.8973	0.0505	-0.0834	0.7057	-0.1093	0.0826	1.2175	0.3973	1.0066	1.2267	-0.1324	0.4653	0.1856	0.1868	0.7933	66.6907	-19.8659	3.213
29	2.0089	0.6265	1.0437	0.8812	1.5615	2.9524	-0.5338	0.2761	0.0318	0.2109	0.1725	0.1766	0.2235	0.5019	0.3613	0.8983	0.0316	0.1529	0.4467	0.1136	0.2141	79.7994	-11.7942	-0.563
30	2.2091	-0.5023	-1.6624	0.9426	1.3352	2.4461	-0.0423	0.3758	-0.0231	0.2658	-0.4039	0.2608	0.3131	-0.5557	0.4461	0.8512	-0.1426	0.2135	0.5113	-0.1496	0.4656	51.3969	-7.1455	-9.0979
31	1.1262	-1.0979	-0.6782	1.1409	0.3733	2.3403	-0.0816	0.1209	0.1133	0.093	-0.157	-0.0475	-0.0851	-0.3417	0.2386	0.6381	-0.0936	0.1909	0.332	-0.3131	0.6406	40.5857	11.2292	12.0962
32	1.1874	-1.0173	-1.372	0.8772	1.1978	1.857	-0.0703	0.7418	-0.3261	0.1035	-0.6562	0.3232	0.0959	-0.8753	0.7265	0.5516	-0.1476	0.1617	0.8253	-0.495	0.7511	31.4402	5.1536	-2.3897
33	5.9413	1.8027	-0.1768	1.2086	-0.1203	0.0143	0.2015	0.6015	-0.5746	0.2165	-0.2075	0.3266	-0.0264	-0.0195	0.0061	0.2473	-0.2189	0.0948	1.3252	-0.863	0.7115	16.6083	-5.789	-11.5704
34	1.1929	0.1533	0.7391	0.4771	0.2769	0.6854	-0.062	-0.1341	0.2769	-0.167	0.0163	0.0051	0.1021	-0.1359	0.0456	0.5583	0.1032	-0.053	0.5399	-0.0216	0.4747	42.9045	45.1205	89.1794
35	0.8939	0.5067	0.1299	0.4031	0.4682	1.8894	-0.0047	-0.258	0.1352	-0.055	-0.0444	0.0052	0.071	0.0896	0.0491	0.4529	0.0947	-0.0399	0.6945	-0.1459	0.474	62.2216	45.8093	111.9349
36	1.5147	0.8817	0.5912	1.0057	0.1841	0.3954	-0.1114	0.0995	0.4355	-0.0624	-0.0364	0.2109	-0.0404	0.0937	0.1478	0.5198	0.0081	-0.0359	0.496	0.0018	0.6744	65.6622	64.2538	94.8814
37	1.8953	1.6343	-0.8255	4.8001	0.9191	1.2555	-0.4577	0.225	0.8629	-0.1633	0.4845	1.3615	0.0447	0.0051	-0.0268	0.7545	0.1194	-0.1951	0.1466	0.2874	0.844	55.4252	76.4979	87.7133
38	1.8421	0.2093	0.2501	0.3489	0.206	0.2504	-0.165	0.1553	0.3228	-0.176	0.0894	0.0528	0.0122	-0.0938	0.0756	0.5997	0.1255	-0.114	0.5194	-0.0145	0.4785	43.924	48.982	89.202
39	1.8091	0.2104	0.1419	0.2621	0.4104	1.1089	-0.0609	-0.7284	0.6095	-0.1785	-0.1729	0.0939	0.0136	-0.2436	0.2338	0.3717	0.177	-0.0268	0.8786	-0.395	0.4858	30.0305	50.5936	113.1236
40	0.9701	-0.3508	0.0418	1.4039	-0.4954	1.5518	-0.0618	-0.389	0.1124	-0.1968	-0.0539	-0.0851	0.3014	-0.2981	0.1157	0.5452	0.0309	-0.0499	0.7185	0.0068	0.3146	24.8504	25.0937	98.3621
41	1.2993	0.0716	0.671	0.9811	-0.1694	1.5714	0.0913	-0.4039	-0.2467	0.0952	-0.2276	-0.1278	-0.0914	-0.3888	0.1363	0.5701	-0.0679	0.0133	0.6946	-0.1013	0.2677	52.8815	53.6823	170.07
42	2.0016	0.7154	-0.0301	0.5206	-0.5838	2.0344	0.2152	0.0572	-0.3969	0.0838	-0.1181	-0.0346	0.1382	-0.4983	-0.0971	0.4492	-0.188	-0.1145	0.9332	-0.4042	0.5192	36.1146	38.8878	148.8096
43	1.9301	-0.1794	0.1929	0.0893	0.1481	0.9036	0.0723	-0.035	-0.1311	-0.0029	-0.1286	-0.0814	0.2705	-0.7118	0.0564	0.415	-0.2018	-0.0074	0.8979	-0.2386	0.4508	32.1592	45.8276	161.1532
44	2.2069	-0.1843	0.3843	2.7497	1.0087	0.4657	0.1439	-0.4924	0.4833	-0.1564	-0.5506	0.8242	-0.057	-0.3035	0.4067	0.3139	0.1543	0.1607	1.2425	-0.3769	0.5161	19.1378	64.0456	169.7204
45	0.5631	-0.0228	-0.0131	0.1818	0.1455	1.9665	0.06	-0.3151	-0.1077	-0.0285	-0.3139	-0.0057	-0.2219	-0.3888	0.2539	0.5884	-0.0158	-0.0198	0.8686	-0.1345	0.3453	50.0685	55.9818	169.7987
46	2.3833	0.2849	0.1153	0.2479	0.4191	2.5018	0.0807	0.2247	-0.1588	-0.1302	-0.3179	0.0388	-0.5711	-0.1348	0.2372	0.8414	0.1826	-0.0639	0.6581	-0.0731	0.1419	61.4968	63.7668	142.828
47	1.6539	-0.1666	0.6899	0.2024	-0.0185	2.9398	0.148	-0.0321	-0.0784	-0.1241	-0.3192	0.0234	-0.544	0.1136	0.1712	0.6761	0.038	-0.0408	0.563	-0.0504	0.3087	66.004	62.1073	154.8816
48	1.2655	-0.4028	0.3597	1.9121	-0.3161	2.3048	0.0729	-0.1257	-0.107	-0.1277	-0.2665	-0.0589	0.255	0.5008	0.1937	0.6044	-0.0072	-0.0904	0.6802	0.1674	0.3196	80.5055	48.0899	162.6679

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	125 - 216
2	X-RAY DIFFRACTION	2	A	217 - 377
3	X-RAY DIFFRACTION	3	A	378 - 498
4	X-RAY DIFFRACTION	4	A	499 - 594
5	X-RAY DIFFRACTION	5	B	124 - 216
6	X-RAY DIFFRACTION	6	B	217 - 383
7	X-RAY DIFFRACTION	7	B	384 - 593
8	X-RAY DIFFRACTION	8	C	123 - 216
9	X-RAY DIFFRACTION	9	C	217 - 367
10	X-RAY DIFFRACTION	10	C	368 - 487
11	X-RAY DIFFRACTION	11	C	488 - 555
12	X-RAY DIFFRACTION	12	C	556 - 594
13	X-RAY DIFFRACTION	13	D	121 - 215
14	X-RAY DIFFRACTION	14	D	216 - 377
15	X-RAY DIFFRACTION	15	D	378 - 532
16	X-RAY DIFFRACTION	16	D	533 - 593
17	X-RAY DIFFRACTION	17	E	125 - 216
18	X-RAY DIFFRACTION	18	E	217 - 405
19	X-RAY DIFFRACTION	19	E	406 - 498
20	X-RAY DIFFRACTION	20	E	499 - 557
21	X-RAY DIFFRACTION	21	E	561 - 594
22	X-RAY DIFFRACTION	22	F	121 - 216
23	X-RAY DIFFRACTION	23	F	217 - 423
24	X-RAY DIFFRACTION	24	F	424 - 556
25	X-RAY DIFFRACTION	25	F	557 - 594
26	X-RAY DIFFRACTION	26	G	126 - 216
27	X-RAY DIFFRACTION	27	G	217 - 414
28	X-RAY DIFFRACTION	28	G	415 - 498
29	X-RAY DIFFRACTION	29	G	499 - 593
30	X-RAY DIFFRACTION	30	H	124 - 216
31	X-RAY DIFFRACTION	31	H	217 - 405
32	X-RAY DIFFRACTION	32	H	406 - 532
33	X-RAY DIFFRACTION	33	H	533 - 593
34	X-RAY DIFFRACTION	34	I	121 - 216
35	X-RAY DIFFRACTION	35	I	217 - 423
36	X-RAY DIFFRACTION	36	I	424 - 556
37	X-RAY DIFFRACTION	37	I	557 - 593
38	X-RAY DIFFRACTION	38	J	123 - 216
39	X-RAY DIFFRACTION	39	J	217 - 439
40	X-RAY DIFFRACTION	40	J	440 - 594
41	X-RAY DIFFRACTION	41	K	122 - 216
42	X-RAY DIFFRACTION	42	K	217 - 377
43	X-RAY DIFFRACTION	43	K	378 - 532
44	X-RAY DIFFRACTION	44	K	533 - 593
45	X-RAY DIFFRACTION	45	L	124 - 216
46	X-RAY DIFFRACTION	46	L	217 - 377
47	X-RAY DIFFRACTION	47	L	378 - 498
48	X-RAY DIFFRACTION	48	L	499 - 594

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