PDB-3iss: Crystal structure of enolpyruvyl-UDP-GlcNAc synthase (MurA):UDP-N...

ID or keywords:

Entry

Database: PDB / ID: 3iss

Title

Crystal structure of enolpyruvyl-UDP-GlcNAc synthase (MurA):UDP-N-acetylmuramic acid:phosphite from Escherichia coli

Components

UDP-N-acetylglucosamine 1-carboxyvinyltransferase

Keywords

TRANSFERASE / Protein-Ligand / Cell cycle / Cell division / Cell shape / Cell wall biogenesis/degradation / Peptidoglycan synthesis

Function / homology

Function and homology information

UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity / UDP-N-acetylgalactosamine biosynthetic process / UDP-N-acetylglucosamine 1-carboxyvinyltransferase / peptidoglycan biosynthetic process / cell wall organization / regulation of cell shape / cell division / cytosol
Similarity search - Function

Biological species

Escherichia coli K-12 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.5 Å

Authors

Jackson, S.G. / Zhang, F. / Chindemi, P. / Junop, M.S. / Berti, P.J.

Citation

Journal: Biochemistry / Year: 2009
Title: Evidence of Kinetic Control of Ligand Binding and Staged Product Release in MurA (Enolpyruvyl UDP-GlcNAc Synthase)-Catalyzed Reactions .
Authors: Jackson, S.G. / Zhang, F. / Chindemi, P. / Junop, M.S. / Berti, P.J.

History

Deposition	Aug 27, 2009	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Nov 24, 2009	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Jul 27, 2011	Group: Database references / Derived calculations / Non-polymer description
Revision 1.3	Oct 13, 2021	Group: Database references / Derived calculations / Category: 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
Revision 1.4	Sep 6, 2023	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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Validation report

Summary document	3iss_validation.pdf.gz	4.5 MB	Display	wwPDB validaton report
Full document	3iss_full_validation.pdf.gz	4.7 MB	Display
Data in XML	3iss_validation.xml.gz	199.5 KB	Display
Data in CIF	3iss_validation.cif.gz	260.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/is/3iss ftp://data.pdbj.org/pub/pdb/validation_reports/is/3iss	HTTPS FTP

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Related structure data

Related structure data	1a2nS 1dlg 1eyn 1q3g 1uae 2z2c S: Starting model for refinement
Similar structure data	6q11-d 3swd-1 6q0y-d 3swd-9 3vcy-1 3swd-4 1uae-d 3swd-10 5wi5-1 3swd-3 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) 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

Related structure data

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#218 - Feb 2018 EPSP Synthase and Weedkillers similarity (4)

Deposited unit

A: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

B: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

C: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

D: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

E: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

F: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

G: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

H: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

I: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

J: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

K: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

L: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

hetero molecules

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

1

A: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

hetero molecules

defined by author&software
45.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

hetero molecules

defined by author&software
45.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

hetero molecules

defined by author&software
45.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

hetero molecules

defined by author&software
45.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

E: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

hetero molecules

defined by author&software
45.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

F: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

hetero molecules

defined by author&software
45.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

7

G: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

hetero molecules

defined by author&software
45.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

8

H: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

hetero molecules

defined by author&software
45.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

9

I: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

hetero molecules

defined by author&software
45.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

10

J: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

hetero molecules

defined by author&software
45.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

11

K: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

hetero molecules

defined by author&software
45.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

12

L: UDP-N-acetylglucosamine 1-carboxyvinyltransferase

hetero molecules

defined by author&software
45.5 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	84.510, 120.910, 139.730
Angle α, β, γ (deg.)	111.52, 104.44, 90.19
Int Tables number	1
Space group name H-M	P1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
3	1
4	1
5	1
6	1
7	1
8	1
9	1
10	1
11	1
12	1

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details
1	1	1	chain A and (resseq 1:66 or resseq 68:418 )
2	1	1	chain B and (resseq 1:66 or resseq 68:418 )
3	1	1	chain C and (resseq 1:66 or resseq 68:418 )
4	1	1	chain D and (resseq 1:66 or resseq 68:418 )
5	1	1	chain E and (resseq 1:66 or resseq 68:418 )
6	1	1	chain F and (resseq 1:66 or resseq 68:418 )
7	1	1	chain G and (resseq 1:66 or resseq 68:418 )
8	1	1	chain H and (resseq 1:66 or resseq 68:418 )
9	1	1	chain I and (resseq 1:66 or resseq 68:418 )
10	1	1	chain J and (resseq 1:66 or resseq 68:418 )
11	1	1	chain K and (resseq 1:66 or resseq 68:418 )
12	1	1	chain L and (resseq 1:66 or resseq 68:418 )

#1: Protein	UDP-N-acetylglucosamine 1-carboxyvinyltransferase / Enoylpyruvate transferase / UDP-N-acetylglucosamine enolpyruvyl transferase / EPT Mass: 44743.406 Da / Num. of mol.: 12 / Mutation: N67D Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli K-12 (bacteria) / Strain: K12 / Gene: b3189, JW3156, murA, murZ / Plasmid: pET41a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References*: UniProt: P0A749, UDP-N-acetylglucosamine 1-carboxyvinyltransferase
#2: Chemical	ChemComp-PO3 / PHOSPHITE ION Mass: 78.972 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: PO₃
#3: Chemical	ChemComp-EPU / URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID / ENOLPYRUVYL-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE Mass: 677.400 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₂₀H₂₉N₃O₁₉P₂
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 853 / 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: 2.38 Å³/Da / Density % sol: 48.37 %
Crystal grow	Temperature: 293.15 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 0.5 mM sodium phosphite, 1.25 mM UDP-MurNAc, 0.1 M sodium MES, 0.2 M ammonium sulfate, 27% polyethylene glycol 5000 monomethyl ether, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: NSLS / Beamline: X8C / Wavelength: 1.1 Å
Detector	Type: ADSC QUANTUM 4r / Detector: CCD / Date: Nov 2, 2007 / Details: Mirror
Radiation	Monochromator: Mirror / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.1 Å / Relative weight: 1
Reflection	Resolution: 2.5→47.48 Å / Num. all: 167352 / Num. obs: 167352 / % possible obs: 97.6 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 4.15 % / B_iso Wilson estimate: 56.1 Å² / R_merge(I) obs: 0.117 / Net I/σ(I): 7
Reflection shell	Resolution: 2.5→2.59 Å / Redundancy: 4.18 % / R_merge(I) obs: 0.435 / Mean I/σ(I) obs: 2.9 / Num. unique all: 16668 / % possible all: 97.3

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Processing

Software

Name	Version	Classification
ADSC	Quantum	data collection
PHASER		phasing
PHENIX	(phenix.refine)	refinement
d*TREK		data reduction
d*TREK		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB entry 1A2N

1a2n

Resolution: 2.5→47.478 Å / SU ML: 0.4 / Isotropic thermal model: Anisotropic (TLS) / Cross valid method: THROUGHOUT / σ(F): 1.96 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2537	8367	5 %	Random
R_work	0.2215	-	-	-
obs	0.2231	167293	97.58 %	-
all	-	167352	-	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 39.092 Å² / k_sol: 0.321 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	4.1553 Å²	1.6879 Å²	3.2756 Å²
2-	-	-3.6659 Å²	-1.2323 Å²
3-	-	-	-0.4894 Å²

Refinement step

Cycle: LAST / Resolution: 2.5→47.478 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	37596	0	576	853	39025

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.011	38713
X-RAY DIFFRACTION	f_angle_d	1.222	52500
X-RAY DIFFRACTION	f_dihedral_angle_d	18.782	14354
X-RAY DIFFRACTION	f_chiral_restr	0.072	6276
X-RAY DIFFRACTION	f_plane_restr	0.005	6755

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Type	Rms dev position (Å)
1	1	A	3125	X-RAY DIFFRACTION	POSITIONAL
1	2	B	3125	X-RAY DIFFRACTION	POSITIONAL	0.24
1	3	C	3125	X-RAY DIFFRACTION	POSITIONAL	0.237
1	4	D	3125	X-RAY DIFFRACTION	POSITIONAL	0.242
1	5	E	3125	X-RAY DIFFRACTION	POSITIONAL	0.229
1	6	F	3125	X-RAY DIFFRACTION	POSITIONAL	0.341
1	7	G	3125	X-RAY DIFFRACTION	POSITIONAL	0.259
1	8	H	3125	X-RAY DIFFRACTION	POSITIONAL	0.215
1	9	I	3125	X-RAY DIFFRACTION	POSITIONAL	0.317
1	10	J	3125	X-RAY DIFFRACTION	POSITIONAL	0.197
1	11	K	3117	X-RAY DIFFRACTION	POSITIONAL	0.292
1	12	L	3125	X-RAY DIFFRACTION	POSITIONAL	0.448

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.5-2.5283	0.3768	273	0.3187	5200	X-RAY DIFFRACTION	97
2.5283-2.558	0.314	264	0.3031	5342	X-RAY DIFFRACTION	97
2.558-2.5892	0.3534	297	0.3058	5262	X-RAY DIFFRACTION	97
2.5892-2.622	0.3334	289	0.3011	5304	X-RAY DIFFRACTION	97
2.622-2.6565	0.3339	243	0.2902	5296	X-RAY DIFFRACTION	97
2.6565-2.6929	0.3353	270	0.2866	5272	X-RAY DIFFRACTION	97
2.6929-2.7314	0.302	292	0.2879	5348	X-RAY DIFFRACTION	98
2.7314-2.7721	0.3303	270	0.2784	5284	X-RAY DIFFRACTION	98
2.7721-2.8154	0.3245	278	0.2879	5305	X-RAY DIFFRACTION	98
2.8154-2.8616	0.3179	297	0.2756	5257	X-RAY DIFFRACTION	98
2.8616-2.9109	0.3145	281	0.2695	5377	X-RAY DIFFRACTION	98
2.9109-2.9639	0.3188	262	0.2674	5312	X-RAY DIFFRACTION	98
2.9639-3.0209	0.3258	274	0.279	5343	X-RAY DIFFRACTION	98
3.0209-3.0825	0.3537	255	0.275	5293	X-RAY DIFFRACTION	98
3.0825-3.1495	0.2655	277	0.2418	5367	X-RAY DIFFRACTION	98
3.1495-3.2228	0.2779	310	0.234	5303	X-RAY DIFFRACTION	98
3.2228-3.3033	0.2568	297	0.2307	5273	X-RAY DIFFRACTION	98
3.3033-3.3926	0.2488	282	0.2137	5367	X-RAY DIFFRACTION	98
3.3926-3.4924	0.2421	278	0.2131	5309	X-RAY DIFFRACTION	98
3.4924-3.6051	0.2506	266	0.206	5401	X-RAY DIFFRACTION	98
3.6051-3.7339	0.2413	280	0.1991	5294	X-RAY DIFFRACTION	98
3.7339-3.8834	0.2215	280	0.192	5412	X-RAY DIFFRACTION	98
3.8834-4.06	0.227	319	0.1845	5236	X-RAY DIFFRACTION	98
4.06-4.2739	0.2195	299	0.1751	5284	X-RAY DIFFRACTION	98
4.2739-4.5415	0.1991	274	0.171	5288	X-RAY DIFFRACTION	98
4.5415-4.8918	0.2014	270	0.1733	5274	X-RAY DIFFRACTION	97
4.8918-5.3835	0.197	289	0.1812	5234	X-RAY DIFFRACTION	97
5.3835-6.1611	0.2113	304	0.1902	5298	X-RAY DIFFRACTION	98
6.1611-7.7568	0.2323	252	0.2017	5291	X-RAY DIFFRACTION	97
7.7568-47.4869	0.1976	245	0.2004	5100	X-RAY DIFFRACTION	94

Refinement TLS params.

Refine-ID: X-RAY DIFFRACTION

ID	Method	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	refined	0.8927	0.2805	0.9231	1.4389	-0.4025	1.5389	-0.0488	-0.2711	-0.0915	0.1167	0.2658	-0.1402	-0.0207	-0.0484	-0.2058	0.3979	0.1059	-0.0293	0.4253	-0.0336	0.3573	-8.3011	9.126	-111.4154
2		3.0648	0.4241	-1.2986	4.0447	1.453	3.3264	0.639	-0.7967	0.1293	-0.6252	0.1527	-1.575	0.0171	-0.3341	-0.7189	0.5223	0.0053	0.0479	0.5838	-0.1303	0.7779
3		0.0121	0.0329	0.4681	1.2212	0.7221	1.2769	-0.1846	0.0463	0.0198	-0.3525	0.075	-0.1825	-0.4305	0.2749	0.0872	0.4998	-0.0858	-0.0112	0.4828	-0.0546	0.3851
4		1.1735	-0.7142	1.2718	0.7918	0.0774	1.6187	-0.3334	-0.0492	0.0744	-0.1575	0.1208	0.07	-0.3509	-0.1123	0.2227	0.4309	0.0563	-0.0243	0.4089	-0.0311	0.3365
5		0.1995	-0.0175	0.0293	0.1328	-0.063	0.431	-0.3302	-0.4449	0.2456	0.0363	0.1172	0.032	0.1578	-0.3459	0.2201	0.6402	0.1831	-0.1859	0.6163	-0.1465	0.4207
6		1.0175	0.0111	-0.1288	1.3339	-0.4138	0.8595	-0.2395	-0.5729	0.0741	0.1872	0.1805	0.1409	-0.1624	-0.441	0.0608	0.4877	0.1978	0.039	0.7229	-0.0413	0.3668
7		0.1324	0.6489	-0.0601	-1.3757	-0.4677	-0.3234	-0.3284	-0.3336	0.0709	-0.2531	0.3519	0.3607	-0.5882	-0.8224	-0.0432	0.7942	0.1325	0.0067	0.9494	0.0364	0.6057
8		1.038	0.6199	-0.6848	1.3103	-0.2549	1.1138	-0.4048	-0.3043	-0.531	0.1356	0.1148	0.7133	0.272	-0.3907	0.2755	0.5858	-0.025	0.236	0.6347	0.1054	0.5886
9		1.3792	-0.4512	0.2436	0.7814	1.2419	1.2218	-0.1454	-0.2811	-0.0935	0.2037	0.2118	0.0996	0.3159	-0.131	-0.0417	0.3728	-0.018	0.0406	0.5563	0.1649	0.3638
10		0.4663	0.0126	-0.4702	-0.1616	0.0709	0.1214	0.1609	-0.8032	0.0027	0.6766	-0.1841	0.0347	-0.0824	0.4225	0.0865	0.8677	0.095	0.1894	0.9721	0.0126	0.6499
11		0.3662	0.41	-0.314	2.3268	-0.4059	0.8761	0.1038	0.1573	0.0225	-0.1089	-0.1116	0.1101	-0.1266	-0.1876	0.0143	0.2198	0.0506	-0.0382	0.3348	-0.0219	0.3422
12		3.2021	-2.1133	0.3985	2.5814	0.2384	0.4092	0.3302	0.7603	0.279	-0.5798	-0.4318	0.1202	-0.5383	-0.2517	0.0979	0.5575	0.1027	-0.001	0.5737	-0.026	0.523
13		0.656	0.0874	0.0635	0.8119	0.0311	1.3438	-0.1539	0.039	-0.2117	-0.0182	-0.0416	0.0817	0.3242	-0.1159	0.2041	0.299	-0.0392	-0.0163	0.2814	-0.1141	0.399
14		0.9803	0.0465	-0.6362	1.0143	1.3267	2.0396	-0.0141	-0.1056	0.055	0.2338	-0.1606	0.1324	0.1747	0.0404	0.1582	0.2332	-0.0294	-0.0295	0.2405	-0.0583	0.3692
15		-0.0398	0.0114	0.1396	0.3337	0.5031	0.9088	0.1444	-0.0643	0.1893	0.089	-0.1799	0.536	-0.1114	-0.6872	0.0758	0.2955	0.006	-0.0171	0.4944	-0.1115	0.6156
16		1.0122	0.0111	-0.4962	1.5526	-0.2256	1.0397	-0.0234	-0.124	-0.1225	0.3662	-0.0411	0.17	0.0429	-0.0086	0.0624	0.3993	-0.0517	0.0407	0.2322	-0.0206	0.3168
17		-0.1681	-0.3221	0.4594	0.8463	0.1402	-0.3948	-0.4618	-0.3331	-0.0383	1.1829	0.298	-0.1478	-0.0115	0.114	0.1197	0.8616	0.0233	0.0597	0.496	0.0669	0.4628
18		0.882	-0.3284	0.0681	1.6762	0.1626	1.4595	0.1578	-0.086	0.1302	0.4917	-0.1084	-0.5162	-0.1515	0.2962	-0.051	0.3336	-0.0499	-0.0616	0.2703	-0.0499	0.4709
19		2.2317	-1.3615	-0.1832	0.5758	0.9321	1.4976	0.1912	0.1011	0.0453	-0.0319	-0.1516	-0.1131	0.0051	0.0468	-0.0506	0.2118	-0.0209	-0.0378	0.1886	-0.0179	0.3133
20		0.9181	-0.0681	-0.673	0.9226	1.0452	0.6772	-0.1376	0.0331	-0.1802	0.1247	-0.096	0.2712	0.1999	-0.202	0.1862	0.389	0.0176	0.0233	0.3846	-0.0488	0.4566
21		0.3639	-0.0178	0.1927	1.887	-0.1198	0.314	-0.1312	0.0392	-0.3135	0.0807	0.1014	0.4003	0.0093	-0.1373	0.0359	0.4181	-0.0851	0.1333	0.3448	0.0054	0.6264
22		0.1581	-0.7436	0.2903	-0.0137	0.1557	0.8367	-0.006	-0.0262	-0.2076	-0.0591	-0.144	1.1599	-0.0321	-0.2562	0.0377	0.4848	-0.1118	0.0706	0.4528	0.0637	0.9892
23		1.4233	0.1248	-0.1474	2.4983	0.2825	0.3822	-0.3694	0.0195	-0.022	0.0207	0.2021	0.3328	-0.2575	-0.1036	0.1763	0.4621	-0.0396	-0.0408	0.3569	0.0336	0.3582
24		1.6703	-1.033	-0.6024	1.0911	0.8544	1.2285	-0.2031	0.0397	-0.1397	-0.1431	0.1608	-0.1145	-0.0484	-0.0511	0.037	0.411	-0.0823	0.0228	0.2716	0.0103	0.3146
25		1.5857	-0.1216	-0.6505	0.0689	0.851	0.7429	-0.3182	0.4519	-0.3774	-0.3893	0.0756	-0.2364	0.3902	-0.1167	0.1947	0.4846	-0.1325	0.0456	0.4293	-0.0874	0.4956
26		1.7988	0.5932	0.3725	1.5577	0.0633	1.3102	-0.0462	0.0065	0.0591	0.2152	-0.0216	-0.3125	0.0243	0.3784	0.0696	0.205	-0.0266	-0.1751	0.3438	0.1176	0.4019
27		-0.7325	-0.3945	-0.6732	0.8074	-0.0147	0.5163	0.1315	-0.9311	-0.1244	1.0514	-0.3564	-0.2019	0.0675	-0.05	0.1883	0.4576	-0.1387	-0.3201	0.5899	0.0255	0.4855
28		1.0341	-0.1519	0.0839	1.5545	0.4853	1.2246	-0.0146	-0.2308	-0.0718	0.481	-0.0565	0.1946	0.315	-0.1131	0.067	0.552	-0.0584	-0.046	0.3567	0.0996	0.4423
29		1.9218	-1.0655	-0.4715	1.4108	0.6336	1.4708	-0.0102	0.1585	-0.0155	0.0093	-0.1572	0.0551	0.3017	-0.0055	0.1566	0.3309	0.0061	-0.0187	0.2864	0.0329	0.3738
30		0.9699	-1.1864	-0.5746	1.0428	1.632	1.1717	-0.056	0.4158	-0.4735	0.2308	0.3103	-0.0749	0.6914	0.0853	-0.2575	0.4905	0.0457	-0.1106	0.4379	0.0715	0.6022
31		1.0317	1.3113	-0.2742	2.5644	-0.6792	1.2193	0.0666	0.3697	-0.1212	-0.4443	-0.1042	-0.1872	0.3413	0.1263	0.0477	0.4411	0.0556	0.0107	0.5805	-0.0605	0.3836
32		1.0424	0.4533	0.3826	1.5668	-0.2615	-0.3375	-0.5109	1.014	-0.0873	-1.643	0.4741	-0.1042	0.1099	0.0974	-0.0218	0.8804	-0.0208	-0.1267	0.748	-0.1613	0.4508
33		1.0867	-0.12	0.4872	1.2614	-0.0131	1.4707	-0.0631	0.5284	0.1436	-0.3149	-0.0736	0.167	-0.4014	-0.1082	0.1103	0.4313	0.0187	-0.0085	0.5283	0.1369	0.3921
34		0.3915	0.0981	-0.1254	0.7119	-0.4618	2.6543	0.0098	0.0686	-0.0296	-0.0371	-0.2812	-0.0791	-0.1187	0.1305	0.2648	0.2129	0.0049	-0.086	0.3835	0.1372	0.3533
35		-0.2401	0.1298	-0.8364	0.3246	-0.0713	0.3488	-0.1876	0.1291	-0.276	-0.0076	-0.1891	-0.4918	-0.1398	1.0302	0.3471	0.3827	-0.0164	0.0159	0.866	0.1488	0.557
36		0.5298	-0.3635	0.0378	0.8737	-0.361	0.5659	-0.0791	0.0829	0.0772	-0.1542	0.0718	-0.155	-0.0157	0.0933	-0.0013	0.4211	-0.0974	0.1459	0.262	-0.0701	0.4331
37		-0.0359	-0.0291	1.4679	4.5757	2.2461	0.2575	0.0199	-0.0726	-0.0567	1.1052	0.0837	-1.2388	0.3279	0.6761	-0.0932	0.4544	-0.0689	0.1072	0.3755	-0.0855	0.6455
38		1.3262	-1.3583	-0.3388	0.9342	0.3743	0.6089	0.0978	-0.0961	0.0676	0.2319	0.0653	-0.1304	0.0509	0.1256	-0.1488	0.5709	-0.0294	0.029	0.3668	-0.0579	0.4204
39		1.611	-0.0925	0.3321	-0.2048	0.0421	0.5128	0.046	-0.1219	-0.0537	0.1785	-0.0929	0.0057	-0.0561	-0.0848	0.0459	0.4272	-0.0053	0.1099	0.2599	-0.0338	0.415
40		0.2384	0.0705	0.3158	0.109	0.7119	0.5183	0.0636	0.1397	-0.4338	-0.1583	-0.0502	-0.1428	0.1531	-0.0154	-0.0079	0.4425	-0.0292	0.1375	0.2341	-0.0352	0.3996
41		1.9357	-0.187	0.1158	1.3627	-0.4806	0.6018	0.0504	0.6199	0.2254	-0.1461	0.0454	0.2145	0.0403	-0.6134	-0.0841	0.3706	0.1324	-0.0766	0.9861	-0.0291	0.3739
42		-0.2415	0.0486	-0.8266	0.5401	0.4439	0.0471	0.4008	0.5995	0.0858	-0.9291	-0.4753	0.0075	0.1878	-0.2946	0.0648	0.6679	0.3718	-0.0281	1.3205	0.0286	0.6152
43		0.5568	0.2005	0.1774	1.0797	-0.2074	0.7781	0.2647	0.8387	-0.1671	-0.3355	-0.0988	-0.1349	-0.0562	0.3612	-0.1029	0.4035	0.0481	-0.026	0.8438	-0.2648	0.3145
44		1.6755	1.3858	-0.0233	1.5994	0.6095	1.4773	0.1126	0.3535	-0.1352	0.0864	-0.1135	-0.0361	-0.0447	0.0091	0.0124	0.3438	0.0223	-0.0504	0.5797	-0.1551	0.2966
45		0.9582	-0.3235	-0.7735	0.4791	-0.2115	1.278	0.1873	0.2422	-0.453	-0.0929	0.0921	-0.2244	0.3563	-0.6086	0.4119	0.4986	-0.1121	-0.1988	0.7757	-0.3051	0.5052
46		1.7735	-0.4159	-0.0883	1.6014	0.0474	0.9787	0.2582	-0.5127	-0.2707	0.0784	-0.168	0.0064	0.0783	-0.0944	-0.0805	0.2993	-0.1853	-0.0384	0.5671	-0.0089	0.3113
47		1.1449	-0.6864	0.283	1.4069	0.172	0.0699	-0.2952	-0.7065	0.0541	0.4469	0.2472	-0.0921	-0.2922	-0.3416	0.061	0.4984	-0.2466	-0.0209	0.7838	-0.0142	0.2417
48		2.3408	0.4711	0.0731	1.0874	0.3791	1.4436	0.124	-0.903	0.5343	0.402	-0.2657	-0.1086	0.0348	0.0863	0.1145	0.3828	-0.1678	0.0319	0.6359	-0.3323	0.4572
49		1.3549	0.2992	0.3303	1.1102	-0.5471	0.8389	0.4052	0.2433	0.1046	0.1697	-0.291	0.2771	-0.3071	-0.0333	-0.1282	0.3447	-0.0392	0.0298	0.6078	-0.1526	0.4309
50		0.2842	0.1941	0.6537	0.1998	-0.198	0.2979	-0.1422	-0.8189	-0.1565	-0.1978	-0.1987	0.8828	0.1508	-0.6042	0.2639	0.4663	-0.1177	0.0863	0.8101	-0.1499	0.6872
51		0.7438	-0.4274	-0.3408	2.4427	1.0964	1.5221	0.1381	-0.0737	0.2369	0.0447	-0.0589	-0.3712	-0.0581	0.1188	-0.0574	0.26	-0.1256	0.0593	0.2559	0.0105	0.4112
52		-0.2651	-1.2136	-0.1759	-1.1937	-0.9519	0.1855	-0.0849	-0.3005	0.6613	-0.3478	0.2275	0.9071	-0.3907	0.2061	-0.214	0.5148	-0.1884	0.1311	0.4419	-0.1765	0.6018
53		1.1247	-0.4446	-0.3622	0.9629	0.7435	0.7663	-0.1239	-0.1337	-0.1718	0.3811	-0.0567	-0.1091	0.3181	0.2043	0.2153	0.3911	-0.0136	-0.023	0.2895	0.0952	0.4208
54		1.9546	0.4102	0.311	1.2204	-0.2608	0.8021	0.1386	0.2715	-0.1071	-0.1915	-0.2182	-0.2127	0.0124	-0.0626	0.0586	0.3108	0.0385	0.0675	0.2753	0.0808	0.3819
55		0.73	0.3228	-1.262	0.108	0.4791	1.082	0.3763	-0.0983	0.3045	-0.3857	-0.0728	-0.8524	-0.1888	0.4255	-0.3246	0.3685	0.0001	0.0549	0.4356	0.0756	0.9153
56		4.0075	-1.1357	1.5282	0.8416	-0.5615	1.2549	0.5776	0.9155	0.7054	-1.2106	-0.0262	-0.8513	-1.0134	0.5892	-0.4522	1.3142	0.3774	0.4092	0.6056	0.2638	0.6571
57		2.2603	-0.1042	-0.7416	2.772	1.1581	1.7418	0.2318	0.8908	-0.0162	-1.0064	-0.0979	-0.1981	-0.5373	-0.4506	-0.1362	0.7651	0.195	0.1852	0.7274	0.0446	0.2819
58		1.1647	-0.4758	0.4581	1.9991	1.1283	0.6148	0.3852	0.28	0.201	-1.3908	-0.5334	0.3448	-0.6324	-0.254	0.1247	0.9399	0.4941	0.0138	0.7864	0.2131	0.5109
59		1.8019	-0.9052	-0.9871	1.4151	0.2359	1.6694	0.3947	0.3262	0.2919	-0.1385	-0.4174	0.0593	-0.1623	-0.3502	0.0179	0.5504	0.1656	0.0867	0.4633	0.127	0.4318
60		0.7538	-0.4583	-0.1205	0.7533	0.0988	0.1463	0.6485	-0.1367	0.7318	-1.2842	0.1049	-1.0847	-0.2667	0.0268	-0.787	0.9736	0.1001	0.373	0.5285	0.1948	0.7429

Refinement TLS group

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