PDB-2ob0: Human MAK3 homolog in complex with Acetyl-CoA

ID or keywords:

Entry

Database: PDB / ID: 2ob0

Title

Human MAK3 homolog in complex with Acetyl-CoA

Components

Human MAK3 homolog

Keywords

TRANSFERASE / acetyltransferase / Structural Genomics Consortium / SGC

Function / homology

Function and homology information

: / mitotic sister chromatid cohesion, centromeric / N-terminal methionine Nalpha-acetyltransferase NatE / NatA complex / N-terminal protein amino acid acetylation / peptide alpha-N-acetyltransferase activity / histone H4 acetyltransferase activity / establishment of mitotic sister chromatid cohesion / mitotic sister chromatid cohesion / Transferases; Acyltransferases; Transferring groups other than aminoacyl groups ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MAD / Resolution: 1.8 Å

Authors

Walker, J.R. / Schuetz, S. / Antoshenko, T. / Wu, H. / Bernstein, G. / Loppnau, P. / Weigelt, J. / Sundstrom, M. / Arrowsmith, C.H. / Edwards, A.M. ...

Citation

Journal: To be Published
Title: Structure of Human MAK3 homolog
Authors: Schuetz, A. / Walker, J.R. / Antoshenko, T. / Wu, H. / Bernstein, G. / Loppnau, P. / Weigelt, J. / Sundstrom, M. / Arrowsmith, C.H. / Edwards, A.M. / Bochkarev, A. / Plotnikov, A.N.

History

Deposition	Dec 18, 2006	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 26, 2006	Provider: repository / Type: Initial release
Revision 1.1	May 1, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Version format compliance
Revision 1.3	Dec 27, 2023	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_conn / 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_conn.pdbx_leaving_atom_flag / _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	2ob0.cif.gz	219.2 KB	Display	PDBx/mmCIF format
PDB format	pdb2ob0.ent.gz	180.6 KB	Display	PDB format
PDBx/mmJSON format	2ob0.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	2ob0_validation.pdf.gz	1.1 MB	Display	wwPDB validaton report
Full document	2ob0_full_validation.pdf.gz	1.1 MB	Display
Data in XML	2ob0_validation.xml.gz	24.5 KB	Display
Data in CIF	2ob0_validation.cif.gz	34.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ob/2ob0 ftp://data.pdbj.org/pub/pdb/validation_reports/ob/2ob0	HTTPS FTP

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Related structure data

Similar structure data	6t11-2 6ao7-d 3tfy-3 5wdd-2 2psw-1 3kkq-d 3kko-2 2ke5-d 6wfk-1 6wfo-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) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#146 - Feb 2012 Aminoglycoside Antibiotics similarity (4) #97 - Jan 2008 Circadian Clock Proteins similarity (4)

Deposited unit

A: Human MAK3 homolog

B: Human MAK3 homolog

C: Human MAK3 homolog

hetero molecules

61 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Human MAK3 homolog

hetero molecules

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

2

B: Human MAK3 homolog

hetero molecules

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

3

C: Human MAK3 homolog

hetero molecules

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

Unit cell

Length a, b, c (Å)	47.523, 103.324, 67.328
Angle α, β, γ (deg.)	90.00, 106.79, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Human MAK3 homolog / N-acetyltransferase 13 Mass: 19534.098 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: NAT13 / Plasmid: pET28-LIC / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q9GZZ1, EC: 2.3.1.88
#2: Chemical	ChemComp-ACO / ACETYL COENZYME A Mass: 809.571 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula*: C₂₃H₃₈N₇O₁₇P₃S
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 331 / 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: 2.7 Å³/Da / Density % sol: 54.44 %
Crystal grow	Temperature: 298 K / pH: 7.5 Details: Reservoir: 0.1 M Sodium acetate pH 5.0, 16% PEG3350, 10 mM DTT, 0.1% Dioxane. Protein: 11.8 mg/mL + 3-fold molar excess of ACOA in 20 mM Hepes pH 7.5, 0.1 M NaCl, 2.5 % 1,2-propandiol, and ...Details: Reservoir: 0.1 M Sodium acetate pH 5.0, 16% PEG3350, 10 mM DTT, 0.1% Dioxane. Protein: 11.8 mg/mL + 3-fold molar excess of ACOA in 20 mM Hepes pH 7.5, 0.1 M NaCl, 2.5 % 1,2-propandiol, and 10 mM DTT. Cryo: 75% reservoir + 25% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 7.50

Crystal

Density Matthews: 2.7 Å³/Da / Density % sol: 54.44 %

Crystal grow

Temperature: 298 K / pH: 7.5
Details: Reservoir: 0.1 M Sodium acetate pH 5.0, 16% PEG3350, 10 mM DTT, 0.1% Dioxane. Protein: 11.8 mg/mL + 3-fold molar excess of ACOA in 20 mM Hepes pH 7.5, 0.1 M NaCl, 2.5 % 1,2-propandiol, and ...

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 17-ID / Wavelength: 0.97931, 0.97945, 1.00000

Detector

Type: ADSC QUANTUM 210 / Detector: CCD / Date: Nov 18, 2006
Details: 1-M LONG, CYLINDRICALLY BENT ULE GLASS MIRROR WITH PT AND PD COATINGS

Radiation

Monochromator: CRYO-COOLED SI(111) DOUBLE- CRYSTAL / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	0.97931	1
2	0.97945	1
3	1	1

Reflection

Resolution: 1.8→50 Å / Num. obs: 56481 / % possible obs: 98.2 % / Observed criterion σ(I): -3 / Redundancy: 3.6 % / R_sym value: 0.046 / Net I/σ(I): 28.8

Reflection shell

Resolution: 1.8→1.86 Å / Redundancy: 2.5 % / Mean I/σ(I) obs: 2 / R_sym value: 0.504 / % possible all: 88.5

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
HKL-2000		data reduction
HKL-2000		data scaling
SOLVE		phasing

Refinement

Method to determine structure:

MAD / Resolution: 1.8→50 Å / Cor.coef. F_o:F_c: 0.972 / Cor.coef. F_o:F_c free: 0.959 / SU B: 4.821 / SU ML: 0.081 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.108 / ESU R Free: 0.107 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS, ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.204	2858	5.1 %	RANDOM
R_work	0.169	-	-	-
obs	0.171	53533	98 %	-
all	-	53533	-	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK

Displacement parameters

B_iso mean: 34.88 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	2.29 Å²	0 Å²	-1.44 Å²
2-	-	-1.49 Å²	0 Å²
3-	-	-	-1.63 Å²

Refinement step

Cycle: LAST / Resolution: 1.8→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3828	0	153	331	4312

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.012	0.022	4062
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.518	2.002	5503
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.436	5	473
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	34.2	24.456	193
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.546	15	715
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	15.545	15	22
X-RAY DIFFRACTION	r_chiral_restr	0.102	0.2	600
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.02	3008
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.208	0.2	1614
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.305	0.2	2792
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.143	0.2	304
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	0.163	0.2	38
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.12	0.2	14
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	1.84	3	2444
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	2.627	4	3819
X-RAY DIFFRACTION	r_scbond_it	3.436	5	1838
X-RAY DIFFRACTION	r_scangle_it	5.007	7	1684
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 1.8→1.85 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.294	174	-
R_work	0.248	3456	-
obs	-	-	85.78 %

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	20.7192	19.604	-11.2148	24.6651	-13.8011	15.3507	-0.2793	0.3653	0.349	-0.2475	0.3586	-0.7718	-0.8963	0.6419	-0.0794	0.0595	-0.1378	0.0372	0.0606	0.0159	0.093	46.9132	358.1374	-94.3179
2	11.1888	3.0456	-5.7518	5.2076	1.0239	4.4884	0.0793	-0.257	0.4078	0.4738	-0.0697	0.6122	0.0921	0.0988	-0.0096	0.1087	-0.0135	0.0979	0.0413	-0.0098	0.1158	35.9093	352.0857	-79.5533
3	32.2208	15.8351	8.9263	28.8826	8.5137	14.1312	-0.3119	0.0907	0.8062	0.1125	-0.281	1.232	-0.765	-0.2759	0.5929	0.0327	0.0194	0.1163	0.0447	-0.0022	0.1691	30.3517	345.9034	-84.1829
4	4.1938	-4.6932	-1.3936	10.0197	2.8598	9.4354	0.0364	-0.0449	-0.6562	0.2046	-0.073	0.7026	0.2002	-0.1043	0.0366	0.0027	-0.0547	0.0449	0.0486	0.017	0.1775	33.2754	338.3772	-88.2079
5	8.2945	8.4447	4.2836	22.7762	9.3123	14.0892	0.2395	-0.2013	-0.3517	1.2048	-0.1124	0.1684	0.3648	-0.2104	-0.1271	0.1169	-0.0234	0.1548	0.0437	0.0511	0.0902	34.2875	339.4356	-76.0487
6	3.5353	-0.627	3.2656	5.4531	-2.6607	8.1804	0.0226	-0.1654	0.0781	0.3173	0.0651	0.038	-0.1513	-0.0313	-0.0877	0.0968	-0.0114	0.065	0.1097	-0.0267	0.1105	40.6805	351.1132	-84.5439
7	7.5664	-6.5378	6.7032	8.1372	-7.4686	8.5257	0.0467	-0.3989	-0.417	0.3419	0.1564	0.1525	0.4276	0.113	-0.203	0.1602	0.0897	0.0017	0.075	0.0155	0.0168	47.4709	337.3357	-77.6745
8	2.317	-1.2343	1.6147	2.7594	-1.3716	2.9464	-0.0154	-0.0534	-0.0281	0.0678	0.0297	0.1193	0.0501	-0.0627	-0.0143	0.0807	0.0032	0.0282	0.1276	-0.0171	0.1068	44.2956	341.8753	-89.5501
9	9.4586	-1.05	11.6571	7.1329	-1.9057	16.0183	-0.0383	-0.0817	0.1422	0.6641	0.0834	-0.4965	-0.3404	0.5085	-0.0451	0.0501	-0.0325	-0.0255	0.1161	-0.0167	0.07	53.2963	346.8363	-82.7796
10	3.7916	1.6334	2.6861	5.7444	2.7073	5.6993	-0.14	-0.0473	-0.0495	0.4084	0.0574	0.0637	0.1834	0.3413	0.0826	0.0884	0.0281	0.0359	0.115	0.0049	0.0827	50.4837	333.4021	-83.2361
11	14.0219	-1.1293	-0.5819	4.7653	-0.4622	3.197	-0.0178	0.6593	-0.1113	-0.1691	0.0181	-0.0078	-0.0209	0.1596	-0.0004	0.0569	0.0198	0.0398	0.1254	-0.0253	0.0724	50.5509	335.826	-94.8499
12	5.3269	5.754	3.1863	44.2342	1.5225	5.1103	0.0843	-0.0651	-0.4698	0.4772	0.0057	-0.8466	0.5101	0.4185	-0.09	0.059	0.0646	0.0005	0.1073	-0.0294	0.0797	54.4302	328.9599	-87.8802
13	29.61	-14.2966	-7.0099	6.903	3.3426	10.0759	-0.2578	-0.4094	-0.9626	0.6184	0.1345	0.6681	0.7614	-0.1777	0.1233	0.1714	-0.0672	0.1246	-0.0274	0.0132	0.2178	43.7781	321.6857	-85.7908
14	35.8364	2.1278	-3.6935	1.8489	-6.0368	37.4875	-0.176	0.12	-0.6753	0.2218	0.1989	2.1437	1.4356	-0.6524	-0.0229	-0.0322	-0.0348	0.1103	-0.0793	-0.0048	0.4474	35.87	324.1343	-88.8847
15	15.2107	12.5781	6.0235	16.3106	6.0518	6.4417	0.031	0.1697	-0.2125	0.42	0.1184	-0.1647	0.3455	0.4387	-0.1494	0.0725	0.0364	0.0335	0.1335	-0.0205	0.089	51.6938	330.0967	-86.3914
16	5.6973	-2.9658	-0.5479	14.0332	-5.304	2.8818	-0.1219	0.4177	0.1495	-0.9565	-0.064	-0.2268	0.3111	-0.0579	0.1859	0.1415	-0.0361	-0.0252	0.1544	0.0414	-0.0552	24.8161	343.9021	-127.909
17	4.8322	-0.3727	-4.1983	4.7528	-0.7225	48.9838	-0.2771	0.3211	0.159	-0.4848	-0.1141	0.3138	-0.2493	-1.7637	0.3912	0.0373	0.0229	-0.1408	0.0686	0.0313	0.1273	14.5598	352.514	-124.6415
18	4.0778	0.6109	4.3128	13.2064	1.2479	12.0807	-0.2896	-0.3482	0.3436	0.268	-0.0555	0.1834	-0.4359	-0.3812	0.3451	0.0134	0.041	-0.0346	0.073	-0.0014	0.1309	18.4392	351.6903	-112.7102
19	6.2271	4.7802	-8.0383	8.8229	-1.9687	26.0091	-0.2794	0.2857	0.6674	-0.3128	-0.1086	0.1543	-1.1447	-0.6526	0.388	0.0574	0.0823	-0.1449	-0.0208	0.0877	0.2134	18.6558	361.4522	-119.6878
20	2.5819	5.7341	-1.4137	20.2227	-1.234	3.9328	-0.1142	0.2851	0.2173	-0.3552	0.0289	0.2296	-0.2183	0.0859	0.0853	0.0958	-0.0295	-0.0504	0.1256	0.0769	0.0597	24.1828	348.2821	-126.1285
21	11.54	12.6422	0.6196	18.6092	1.4887	0.1711	-0.1187	0.1403	0.6051	-0.141	-0.0616	0.2825	-0.1515	0.06	0.1804	0.1116	-0.058	-0.086	0.0657	0.0862	0.1049	26.5797	354.1511	-120.2698
22	34.7816	15.1833	12.7227	22.4832	14.3477	9.5312	-0.5476	-0.3801	1.9923	0.3281	-0.6766	1.0229	-1.7724	0.6396	1.2242	0.2768	-0.2981	-0.1313	0.076	0.0488	0.2398	38.9691	367.8224	-116.1094
23	3.6606	2.874	0.3729	5.8308	-0.5266	2.3633	-0.2514	0.196	0.3115	-0.1594	0.1483	0.2079	-0.1852	0.0348	0.1032	0.074	-0.0173	-0.0283	0.103	0.0382	0.115	28.1382	351.2129	-115.6641
24	5.2937	4.0465	-0.2343	12.866	-3.846	3.4168	-0.0967	0.134	0.1215	0.0011	-0.1275	-0.0253	0.1236	0.2202	0.2241	0.0638	-0.0268	0.0168	0.1238	0.0052	0.0502	31.7444	343.3949	-119.0838
25	9.072	15.2441	-7.1457	31.1857	-14.1907	17.9518	-0.5507	0.6894	-0.1401	-1.1362	-0.0896	-0.6518	-0.0383	0.7884	0.6403	0.0097	-0.1342	0.0005	0.1735	0.124	0.0066	39.5787	353.8507	-125.6402
26	3.9164	1.2919	-2.1746	2.531	-1.8777	8.8171	-0.2283	0.1968	0.2362	0.0001	-0.0241	-0.1393	-0.3654	0.2038	0.2524	0.0661	-0.047	-0.0415	0.0829	0.0531	0.1308	35.631	357.7533	-112.2938
27	11.3283	0.1588	2.1099	4.0586	0.5579	5.3756	0.0277	0.0062	-0.3142	0.0908	-0.0302	-0.0472	0.2504	0.1075	0.0025	0.0877	-0.0104	-0.0159	0.1005	0.0297	0.0795	34.8276	346.3943	-108.0032
28	4.7472	0.7919	-1.8241	11.1402	15.7624	24.1507	-0.2536	-0.1767	0.3799	-0.2904	0.2854	-0.3427	-0.8618	0.6622	-0.0318	0.0891	-0.1102	-0.062	0.1172	0.062	0.0816	40.0767	355.3206	-106.7794
29	16.2583	-2.8503	-3.0008	7.127	0.6079	5.5613	-0.2877	-0.2138	0.3525	0.3166	-0.014	0.4208	-0.7401	-0.7757	0.3017	0.0859	0.0979	-0.0224	0.1085	-0.0461	0.046	26.5625	359.8462	-101.0473
30	13.723	-5.5816	-9.5713	6.2955	2.3586	30.8189	0.0642	0.1229	0.4724	-0.2745	-0.1961	-0.6275	-0.9207	2.178	0.1319	-0.0089	-0.128	-0.0069	0.2227	0.0842	0.0999	42.9588	356.5619	-114.1722
31	8.8715	-1.1527	6.8254	7.6988	-3.9834	16.1444	0.0179	0.6298	-0.3327	-1.1135	0.1255	0.2509	0.6711	0.3249	-0.1434	0.0896	-0.0224	0.0145	0.0667	-0.0427	0.1039	50.4643	366.0301	-94.7952
32	3.6335	0.4136	0.0291	20.923	2.2892	3.2605	-0.0708	0.0501	-0.3343	-0.2904	0.1276	-0.995	0.2388	0.6342	-0.0569	-0.0298	0.0488	-0.01	0.1236	0.0444	0.1676	60.6956	366.449	-84.7602
33	0.9165	-1.9864	0.9254	8.0349	-6.8472	9.6276	-0.01	-0.2858	-0.0177	0.2743	0.0326	-0.241	-0.3116	0.367	-0.0225	-0.0071	-0.0176	-0.0721	0.0959	0.0245	0.0986	57.7125	372.3809	-76.3903
34	15.2446	-0.9289	8.725	7.6019	0.5816	7.9099	0.2416	-0.3268	-1.0077	0.5214	0.0138	-0.2566	0.6816	0.006	-0.2554	0.1278	0.0307	0.0374	0.0154	0.0748	0.1395	52.3516	359.8916	-78.3636
35	3.5878	0.8589	-2.6803	2.3956	-1.6486	6.6466	-0.0802	-0.2508	-0.0527	0.1339	0.0469	0.0571	0.1367	0.0195	0.0333	0.0951	0.0041	0.0237	0.0947	0.033	0.141	48.0624	367.5371	-82.1851
36	2.1423	0.9033	-1.8032	2.7021	-1.4251	4.1434	-0.0497	0.043	0.04	0.0564	-0.0117	-0.1501	-0.0535	0.0301	0.0614	0.0715	0.013	0.0154	0.1059	0.0216	0.1439	46.971	374.2116	-84.7663
37	7.1538	8.2171	-5.7244	13.1648	-7.6526	7.9963	-0.0679	0.0365	-0.3234	-0.0476	-0.038	0.2927	0.1979	-0.0283	0.1059	0.049	0.0036	0.035	0.0785	-0.0176	0.1334	39.0963	364.5184	-85.1501
38	3.9248	2.645	0.3468	5.5619	2.7714	1.7346	-0.1489	-0.1875	-0.1012	0.1907	0.0719	-0.0536	-0.0324	-0.0144	0.0771	0.1085	0.0091	0.0175	0.0868	-0.0031	0.0983	40.7189	373.1702	-74.4043
39	9.1598	0.169	0.5469	5.0186	1.9494	7.0988	-0.0506	0.1009	0.6753	0.0506	0.1091	-0.2424	-0.4457	0.1782	-0.0585	0.1047	0.0183	0.0172	0.0539	0.0107	0.1136	42.173	382.6924	-82.4803
40	9.1749	-0.7299	2.44	21.4426	-6.6984	4.8413	0.1129	0.2478	-0.0735	-0.1571	-0.2717	0.6688	0.2276	-0.272	0.1588	0.0425	0.0191	0.0131	0.138	-0.0353	0.1131	34.8669	378.3529	-81.7826
41	19.8168	-0.4335	2.2384	2.5256	0.4228	3.8567	-0.004	-1.3195	0.1045	0.7076	0.051	-0.2244	0.0379	0.1703	-0.047	0.1397	0.0132	-0.0604	0.0344	-0.0516	-0.0076	44.0253	381.5843	-68.1919
42	25.1448	-11.1879	-2.1318	8.7484	-7.857	20.7449	-0.4944	-0.3387	0.8732	1.864	0.7315	-1.6027	-0.1196	1.7529	-0.2371	0.0352	-0.1399	-0.2489	0.2016	-0.2739	0.26	54.198	385.7707	-69.492
43	14.6789	12.9756	5.2107	21.6806	7.8522	7.7657	-0.2211	-0.0991	0.0725	0.1384	0.0541	0.2054	-0.0394	-0.0493	0.167	0.1053	0.036	0.0145	0.0762	-0.0075	0.1004	38.0158	376.8696	-73.951
44	43.2208	10.6303	-24.2926	7.1313	-5.7426	13.6658	1.4929	-2.8401	1.5326	-0.3542	0.2532	0.2485	-0.3278	1.4167	-1.7461	0.008	-0.0465	0.055	0.2235	0.0934	0.2338	22.9122	365.5028	-69.6233
45	39.8409	-16.6558	15.4638	23.2445	-6.338	14.7273	-0.1805	-0.3795	-0.7981	1.1763	0.1743	0.1492	-0.2557	0.1293	0.0062	0.0709	-0.084	-0.0959	0.0289	0.1355	0.0565	9.7252	365.6566	-66.6299

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	X-RAY DIFFRACTION	1	A	A	1 - 7	2 - 8
2	X-RAY DIFFRACTION	2	A	A	8 - 16	9 - 17
3	X-RAY DIFFRACTION	3	A	A	17 - 21	18 - 22
4	X-RAY DIFFRACTION	4	A	A	22 - 29	23 - 30
5	X-RAY DIFFRACTION	5	A	A	30 - 40	31 - 41
6	X-RAY DIFFRACTION	6	A	A	41 - 54	42 - 55
7	X-RAY DIFFRACTION	7	A	A	55 - 69	56 - 70
8	X-RAY DIFFRACTION	8	A	A	70 - 90	71 - 91
9	X-RAY DIFFRACTION	9	A	A	91 - 103	92 - 104
10	X-RAY DIFFRACTION	10	A	A	104 - 116	105 - 117
11	X-RAY DIFFRACTION	11	A	A	117 - 128	118 - 129
12	X-RAY DIFFRACTION	12	A	A	129 - 133	130 - 134
13	X-RAY DIFFRACTION	13	A	A	134 - 138	135 - 139
14	X-RAY DIFFRACTION	14	A	A	139 - 144	140 - 145
15	X-RAY DIFFRACTION	15	A	A	145 - 154	146 - 155
16	X-RAY DIFFRACTION	16	B	B	4 - 12	5 - 13
17	X-RAY DIFFRACTION	17	B	B	13 - 21	14 - 22
18	X-RAY DIFFRACTION	18	B	B	22 - 29	23 - 30
19	X-RAY DIFFRACTION	19	B	B	30 - 40	31 - 41
20	X-RAY DIFFRACTION	20	B	B	41 - 54	42 - 55
21	X-RAY DIFFRACTION	21	B	B	55 - 63	56 - 64
22	X-RAY DIFFRACTION	22	B	B	64 - 69	65 - 70
23	X-RAY DIFFRACTION	23	B	B	70 - 84	71 - 85
24	X-RAY DIFFRACTION	24	B	B	85 - 95	86 - 96
25	X-RAY DIFFRACTION	25	B	B	96 - 103	97 - 104
26	X-RAY DIFFRACTION	26	B	B	104 - 116	105 - 117
27	X-RAY DIFFRACTION	27	B	B	117 - 127	118 - 128
28	X-RAY DIFFRACTION	28	B	B	128 - 133	129 - 134
29	X-RAY DIFFRACTION	29	B	B	134 - 149	135 - 150
30	X-RAY DIFFRACTION	30	B	B	150 - 155	151 - 156
31	X-RAY DIFFRACTION	31	C	C	4 - 11	5 - 12
32	X-RAY DIFFRACTION	32	C	C	12 - 23	13 - 24
33	X-RAY DIFFRACTION	33	C	C	24 - 36	25 - 37
34	X-RAY DIFFRACTION	34	C	C	37 - 45	38 - 46
35	X-RAY DIFFRACTION	35	C	C	46 - 69	47 - 70
36	X-RAY DIFFRACTION	36	C	C	70 - 90	71 - 91
37	X-RAY DIFFRACTION	37	C	C	91 - 103	92 - 104
38	X-RAY DIFFRACTION	38	C	C	104 - 116	105 - 117
39	X-RAY DIFFRACTION	39	C	C	117 - 124	118 - 125
40	X-RAY DIFFRACTION	40	C	C	125 - 130	126 - 131
41	X-RAY DIFFRACTION	41	C	C	131 - 139	132 - 140
42	X-RAY DIFFRACTION	42	C	C	140 - 145	141 - 146
43	X-RAY DIFFRACTION	43	C	C	146 - 154	147 - 155
44	X-RAY DIFFRACTION	44	C	C	155 - 162	156 - 163
45	X-RAY DIFFRACTION	45	C	C	163 - 169	164 - 170

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