PDB-2bwj: Structure of adenylate kinase 5

ID or keywords:

Entry

Database: PDB / ID: 2bwj

Title

Structure of adenylate kinase 5

Components

ADENYLATE KINASE 5

Keywords

TRANSFERASE / ADENYLATE KINASE / PHOSPHORYL TRANSFER REACTION

Function / homology

Function and homology information

dADP biosynthetic process / : / purine nucleotide metabolic process / ADP biosynthetic process / nucleoside triphosphate biosynthetic process / adenylate kinase / pyrimidine ribonucleotide biosynthetic process / adenylate kinase activity / nucleobase-containing small molecule interconversion / nucleoside-diphosphate kinase ...
Similarity search - Function

Biological species

HOMO SAPIENS (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.3 Å

Authors

Bunkoczi, G. / Filippakopoulos, P. / Fedorov, O. / Jansson, A. / Longman, E. / Ugochukwu, E. / Knapp, S. / von Delft, F. / Arrowsmith, C. / Edwards, A. ...

Citation

Journal: To be Published
Title: Structure of Adenylate Kinase 5
Authors: Filippakopoulos, P. / Bunkoczi, G. / Jansson, A. / Longman, E. / Knapp, S.

History

Deposition	Jul 14, 2005	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jul 21, 2005	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Refinement description / Version format compliance
Revision 1.2	Jan 24, 2018	Group: Structure summary / Category: audit_author / Item: _audit_author.name
Revision 1.3	Feb 28, 2018	Group: Source and taxonomy / Category: entity_src_gen Item: _entity_src_gen.pdbx_host_org_cell_line / _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id ..._entity_src_gen.pdbx_host_org_cell_line / _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _entity_src_gen.pdbx_host_org_scientific_name / _entity_src_gen.pdbx_host_org_strain
Revision 1.4	May 8, 2024	Group: Data collection / Database references / Other Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/bw/2bwj ftp://data.pdbj.org/pub/pdb/validation_reports/bw/2bwj	HTTPS FTP

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Related structure data

Similar structure data	6ycb-d 5rxh-d 3lxs-d 2oz2-d 2q52-d 3iug-d 1lqw-d 6h1z-d 2hio-d 5rxj-d 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	#233 - May 2019 S-Nitrosylated Hemoglobin similarity (1) #238 - Oct 2019 Ribonucleotide Reductase similarity (1) #129 - Sep 2010 Isocitrate Dehydrogenase similarity (1) #154 - Oct 2012 Citric Acid Cycle similarity (1) #24 - Dec 2001 Glycogen Phosphorylase similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1)

Deposited unit

A: ADENYLATE KINASE 5

B: ADENYLATE KINASE 5

C: ADENYLATE KINASE 5

D: ADENYLATE KINASE 5

E: ADENYLATE KINASE 5

F: ADENYLATE KINASE 5

hetero molecules

135 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: ADENYLATE KINASE 5

B: ADENYLATE KINASE 5

hetero molecules

defined by author&software
45.1 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: ADENYLATE KINASE 5

F: ADENYLATE KINASE 5

hetero molecules

defined by author&software
45.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

D: ADENYLATE KINASE 5

E: ADENYLATE KINASE 5

hetero molecules

defined by author&software
44.6 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	180.375, 180.375, 121.701
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	169
Space group name H-M	P6₁

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
4	1	D
5	1	F
1	2	A
2	2	B
3	2	C
4	2	D
5	2	E
6	2	F

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Refine code	Auth asym-ID	Auth seq-ID
1	1	1	5	A	3 - 11
2	1	1	5	B	3 - 11
3	1	1	5	C	3 - 11
4	1	1	5	D	3 - 11
5	1	1	5	F	3 - 11
1	1	2	5	A	11 - 198
2	1	2	5	B	11 - 198
3	1	2	5	C	11 - 198
4	1	2	5	D	11 - 198
5	1	2	5	E	11 - 198
6	1	2	5	F	11 - 198

NCS ensembles :

ID
1
2

NCS oper:

ID	Code	Matrix	Vector
1	given	(-0.41984, -0.90519, 0.06603), (-0.90563, 0.41303, -0.09609), (0.05971, -0.10014, -0.99318)	147.22264, 93.15382, -2.42559
2	given	(-0.57113, -0.24643, 0.78299), (0.23157, 0.86676, 0.44171), (-0.78752, 0.43359, -0.43797)	148.4165, 17.35153, 81.46748
3	given	(0.36442, -0.91428, 0.1769), (-0.16426, -0.2501, -0.95418), (0.91663, 0.31866, -0.24132)	106.4955, 17.93164, -74.65356
4	given	(0.60795, -0.79353, -0.02653), (0.21803, 0.13472, 0.9666), (-0.76346, -0.59343, 0.25491)	81.50393, -25.39286, 97.05065
5	given	(0.56054, 0.27703, -0.78041), (-0.82652, 0.1285, -0.54804), (-0.05154, 0.95223, 0.301)	34.93513, 128.80684, 4.32571

#1: Protein	ADENYLATE KINASE 5 / ATP-AMP / TRANSPHOSPHORYLASE5 Mass: 22176.564 Da / Num. of mol.: 6 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Plasmid: PLIC-SGC / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q9Y6K8, adenylate kinase
#2: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: SO₄
#3: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Cl
#4: Chemical	ChemComp-AMP / ADENOSINE MONOPHOSPHATE Mass: 347.221 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₁₀H₁₄N₅O₇P / Comment: AMP*YM
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 460 / Source method: isolated from a natural source / Formula: H₂O
Compound details	ENGINEERED RESIDUE IN CHAIN A, ARG 135 TO MET ENGINEERED RESIDUE IN CHAIN B, ARG 135 TO MET ...ENGINEERED RESIDUE IN CHAIN A, ARG 135 TO MET ENGINEERED RESIDUE IN CHAIN B, ARG 135 TO MET ENGINEERED RESIDUE IN CHAIN C, ARG 135 TO MET ENGINEERED RESIDUE IN CHAIN D, ARG 135 TO MET ENGINEERED RESIDUE IN CHAIN E, ARG 135 TO MET ENGINEERED RESIDUE IN CHAIN F, ARG 135 TO MET
Sequence details	RESIDUE 1 REMAINS FROM HIS-TAG AFTER TEV CLEAVAGE

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 4.2 Å³/Da / Density % sol: 70.7 % / Description: NCS AVERAGING DONE WITH DM.
Crystal grow	pH: 7.5 Details: 0.1M HEPES PH7.5, 0.1M NACL, 1.6M (NH4)2SO4, pH 7.50

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 0.9184
Detector	Type: MARRESEARCH / Detector: CCD / Date: Mar 13, 2005 / Details: MIRRORS
Radiation	Monochromator: SI111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9184 Å / Relative weight: 1
Reflection	Resolution: 2.3→48.15 Å / Num. obs: 7913 / % possible obs: 95 % / Observed criterion σ(I): 0 / Redundancy: 8.6 % / R_merge(I) obs: 0.09 / Net I/σ(I): 12.53
Reflection shell	Resolution: 2.3→2.38 Å / Redundancy: 3 % / R_merge(I) obs: 0.37 / Mean I/σ(I) obs: 2.35 / % possible all: 63.1

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0005	refinement
HKL-2000		data reduction
HKL-2000		data scaling
SHELX		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.3→50 Å / Cor.coef. F_o:F_c: 0.964 / Cor.coef. F_o:F_c free: 0.948 / SU B: 9.839 / SU ML: 0.127 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.186 / ESU R Free: 0.172 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.213	4454	5 %	RANDOM
R_work	0.172	-	-	-
obs	0.174	84202	88.9 %	-

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: 56.12 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	1.58 Å²	0.79 Å²	0 Å²
2-	-	1.58 Å²	0 Å²
3-	-	-	-2.37 Å²

Refinement step

Cycle: LAST / Resolution: 2.3→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8699	0	101	460	9260

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.012	0.022	8947
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	8349
X-RAY DIFFRACTION	r_angle_refined_deg	1.348	2.006	12118
X-RAY DIFFRACTION	r_angle_other_deg	0.776	3	19333
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.207	5	1166
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	34.9	24.344	343
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.562	15	1571
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	19.986	15	56
X-RAY DIFFRACTION	r_chiral_restr	0.07	0.2	1428
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.02	9912
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	1701
X-RAY DIFFRACTION	r_nbd_refined	0.195	0.2	1981
X-RAY DIFFRACTION	r_nbd_other	0.167	0.2	8151
X-RAY DIFFRACTION	r_nbtor_refined	0.173	0.2	4437
X-RAY DIFFRACTION	r_nbtor_other	0.086	0.2	5364
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.16	0.2	465
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	0.214	0.2	10
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.221	0.2	71
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.134	0.2	9
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	2.947	3	5918
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	4.156	5	9260
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	8.456	8	3376
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	11.69	11	2851
X-RAY DIFFRACTION	r_scangle_other
X-RAY DIFFRACTION	r_long_range_B_refined
X-RAY DIFFRACTION	r_long_range_B_other
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION

Ens-ID	Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	1	A	41	medium positional	0.32	0.5
1	2	B	41	medium positional	0.26	0.5
1	3	C	41	medium positional	0.19	0.5
1	4	D	41	medium positional	0.22	0.5
1	5	F	41	medium positional	0.31	0.5
2	1	A	1083	medium positional	0.38	0.5
2	2	B	1083	medium positional	0.67	0.5
2	3	C	1083	medium positional	0.33	0.5
2	4	D	1083	medium positional	0.3	0.5
2	5	E	1083	medium positional	0.42	0.5
2	6	F	1083	medium positional	0.41	0.5
1	1	A	22	loose positional	0.61	5
1	2	B	22	loose positional	0.54	5
1	3	C	22	loose positional	0.68	5
1	4	D	22	loose positional	0.7	5
1	5	F	22	loose positional	0.76	5
2	1	A	1390	loose positional	0.78	5
2	2	B	1390	loose positional	1.09	5
2	3	C	1390	loose positional	0.69	5
2	4	D	1390	loose positional	0.89	5
2	5	E	1390	loose positional	0.94	5
2	6	F	1390	loose positional	0.74	5
1	1	A	41	medium thermal	1.4	2
1	2	B	41	medium thermal	0.76	2
1	3	C	41	medium thermal	0.77	2
1	4	D	41	medium thermal	0.36	2
1	5	F	41	medium thermal	0.8	2
2	1	A	1083	medium thermal	1.16	2
2	2	B	1083	medium thermal	1.15	2
2	3	C	1083	medium thermal	0.92	2
2	4	D	1083	medium thermal	0.64	2
2	5	E	1083	medium thermal	0.85	2
2	6	F	1083	medium thermal	0.97	2
1	1	A	22	loose thermal	3.12	10
1	2	B	22	loose thermal	1.29	10
1	3	C	22	loose thermal	1.7	10
1	4	D	22	loose thermal	1.51	10
1	5	F	22	loose thermal	1.78	10
2	1	A	1390	loose thermal	3.19	10
2	2	B	1390	loose thermal	3.37	10
2	3	C	1390	loose thermal	2.75	10
2	4	D	1390	loose thermal	3.16	10
2	5	E	1390	loose thermal	2.75	10
2	6	F	1390	loose thermal	2.86	10

LS refinement shell

Resolution: 2.3→2.36 Å / Total num. of bins used: 20 /

	R_factor	Num. reflection
R_free	0.287	191
R_work	0.212	3381

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	4.0925	1.9185	-0.9002	4.6562	-2.0684	2.761	-0.2805	0.1237	-0.1498	-0.3223	0.1286	0.1495	0.5003	-0.1659	0.1519	-0.0056	-0.1261	0.0168	-0.2318	-0.0102	-0.4151	85.2103	3.495	19.4133
2	1.5424	-0.2022	-1.253	1.6874	-1.7813	4.8891	-0.0818	0.1785	-0.0508	-0.4227	0.0424	-0.069	0.7411	-0.2401	0.0394	0.0976	-0.1571	-0.0175	-0.2118	-0.0093	-0.3584	88.3755	3.3077	3.7512
3	0.9709	-0.1554	0.163	6.2276	0.1327	4.6737	-0.4306	0.0923	0.3079	-0.8962	0.2736	-0.0784	-0.0176	-0.2866	0.157	-0.0214	-0.1773	-0.0673	-0.1456	0.0388	-0.2656	81.4292	9.2846	12.5155
4	3.7244	0.4957	-0.2878	1.6335	-0.3574	0.9438	0.0495	-0.137	0.0817	-0.0113	-0.0618	0.0039	-0.0377	-0.0269	0.0122	-0.0978	-0.0565	-0.0514	-0.3219	0.0019	-0.4031	97.7267	17.265	18.907
5	5.1537	0.9865	0.2366	2.2617	-0.3235	2.183	0.2017	-0.4712	0.0495	0.2993	-0.2073	0.1185	0.0617	-0.0377	0.0056	-0.064	-0.0907	0.0034	-0.2205	0.0193	-0.3912	88.1953	7.8607	30.6773
6	9.7209	1.8409	1.7277	2.9199	0.964	6.1919	-0.2827	0.2779	0.5497	-0.0801	0.1863	-0.4916	-0.6814	0.7533	0.0963	0.0365	-0.136	-0.0118	-0.1062	0.0143	-0.3308	109.1066	14.7966	-17.6554
7	2.0099	-0.0068	-1.5046	2.4374	0.3015	7.2146	-0.1947	0.0551	-0.0643	0.0494	0.1486	-0.0605	0.291	0.6038	0.0461	-0.1233	-0.0722	-0.0551	-0.2496	-0.0142	-0.3114	107.5712	14.3896	-0.9282
8	6.4725	-0.459	-1.7865	3.7222	1.6727	8.86	-0.0606	-0.1485	0.4667	-0.1405	0.241	-0.0693	-0.7975	0.3303	-0.1803	0.0063	-0.1734	-0.0271	-0.2185	0.0254	-0.332	105.7202	22.2459	-10.506
9	2.6746	1.8757	-0.7133	5.6232	-0.3644	4.1238	0.0043	0.0807	0.0357	0.1842	-0.0396	0.2661	0.0084	-0.4653	0.0353	-0.0566	-0.0588	-0.0092	-0.1621	0.0065	-0.3732	91.9257	9.9842	-17.4915
10	2.9246	-0.4306	1.5832	5.624	4.3351	6.8125	0.0006	0.484	0.3955	-0.6586	0.2364	-0.332	-0.7148	0.6085	-0.237	0.0767	-0.1905	0.0569	-0.1679	0.0225	-0.3291	104.6288	13.5056	-28.3399
11	4.2079	0.1287	0.0472	7.3867	-1.4418	4.6869	0.0231	0.1962	-0.4942	0.2401	-0.383	-1.3513	0.4023	0.773	0.3599	-0.2122	-0.0573	-0.1072	0.0991	0.083	0.1165	113.5135	50.1654	5.7211
12	3.0269	1.2608	-0.8886	4.9841	-1.3315	4.4544	-0.3964	-0.0452	-0.337	0.0309	-0.0151	-0.4064	0.2805	0.2731	0.4115	-0.1186	0.0307	-0.1154	-0.2172	-0.0385	-0.1894	99.9783	42.2982	11.688
13	5.6556	-1.488	-2.5065	5.8365	-0.1706	7.4299	-0.1922	-0.3994	-0.3108	0.5652	-0.1645	-0.7425	-0.3312	0.6717	0.3567	-0.1174	-0.0804	-0.2439	-0.0528	0.0594	-0.0393	108.864	49.9476	16.3234
14	4.5224	-0.6105	2.8325	1.6519	-0.9114	5.1807	0.0021	-0.0307	0.1241	0.2473	-0.073	-0.3863	-0.3526	0.2702	0.0709	-0.1199	-0.074	-0.1132	-0.1435	0.0183	-0.1702	102.9849	63.2848	3.4752
15	7.9359	0.1725	-0.5558	7.7309	0.8903	3.5297	-0.1379	0.4533	-0.1036	0.0303	-0.3918	-1.5662	-0.0442	1.1913	0.5297	-0.1704	-0.154	-0.0436	0.3363	0.1557	0.3862	119.6998	58.7267	1.6787
16	2.9387	-0.4294	3.5697	3.0199	-2.621	7.4368	0.0285	1.3015	-0.0944	-1.6108	0.252	-0.6443	1.017	0.7312	-0.2805	1.0941	0.136	0.0555	0.2502	-0.0365	0.4917	137.8651	-17.0056	2.3528
17	5.9935	-3.526	0.0507	13.1377	3.0815	6.8238	0.4277	0.0541	0.0707	-1.1573	-0.0078	-1.0828	0.6968	-0.0086	-0.4199	0.3327	-0.0207	-0.0613	0.0909	0.1593	0.2775	135.9537	-0.3967	6.7678
18	4.2292	-0.0555	1.1667	8.984	1.5557	0.5966	-0.4399	0.2953	0.9735	-2.0865	0.3621	0.3014	1.7922	-0.2209	0.0778	1.0643	-0.1012	-0.2814	0.4659	0.0792	0.4148	130.0518	-9.7219	0.3464
19	4.349	-0.2245	2.4498	4.5543	-3.606	12.264	-0.0272	0.2967	-0.2177	-0.8589	0.2862	0.3102	0.7877	-0.7238	-0.259	0.5017	0.0287	-0.1828	-0.1642	0.095	0.4432	129.9095	-20.4941	16.4893
20	6.4332	1.7025	-5.2826	5.8166	-3.5125	7.953	0.4322	0.674	-0.5827	-1.2546	0.5339	0.0475	2.0909	0.3245	-0.9661	1.3465	0.2126	-0.0668	0.1309	-0.1167	0.653	136.966	-28.5296	2.8423
21	4.8303	-0.5308	1.1288	5.1145	-0.9921	5.7643	-0.0884	-0.931	0.1378	0.9757	-0.0093	-0.6098	-0.4696	0.5345	0.0977	0.0628	-0.0673	-0.2761	-0.0432	-0.0098	0.0902	131.1464	14.9541	32.3223
22	3.0286	-0.1947	-0.343	11.4392	2.1744	2.5396	-0.2127	-0.2368	-0.2846	0.4965	0.2072	-0.372	0.6653	0.3558	0.0056	0.0926	0.0807	-0.2036	-0.0786	0.1789	0.1593	132.2819	-2.197	28.5923
23	11.0195	-0.0073	3.416	4.8861	-0.1579	5.5105	0.0426	-0.1559	-0.6563	0.8423	0.2541	-0.0926	0.5809	0.2019	-0.2967	0.1376	-0.001	-0.1601	-0.0679	0.1146	-0.0259	123.0878	5.2649	32.5229
24	5.5472	0.7008	-0.9202	3.4875	-0.7256	6.0429	-0.2084	0.1069	0.0648	-0.0754	0.0269	-0.7438	-0.1252	0.2397	0.1815	-0.1491	-0.0449	-0.0752	-0.2836	0.0663	-0.0108	126.7108	16.6071	17.0654
25	6.9558	1.9191	1.2882	5.2879	-2.1656	8.0757	-0.1759	-0.7161	0.8103	1.0379	-0.036	-0.709	-1.0442	0.1531	0.2119	0.3462	-0.0185	-0.2703	-0.0945	-0.1372	0.1559	128.4873	24.9929	32.4118
26	7.1542	-1.8537	2.3216	5.7859	-1.3114	5.1637	-0.1112	0.4522	0.4448	-0.3302	0.028	0.6223	-0.2439	-0.9456	0.0833	-0.1845	-0.0057	-0.0783	0.116	0.0145	-0.1509	68.6911	46.4724	10.0677
27	5.3171	2.2985	-1.2984	2.9542	-0.1684	2.4491	-0.1751	0.4774	0.408	-0.2129	0.281	0.2432	-0.0383	-0.3606	-0.1059	-0.1337	0.0534	-0.1146	-0.0972	0.0211	-0.2525	82.7853	54.3001	3.7947
28	1.9817	-0.3899	-3.1626	3.4612	0.7366	5.6605	0.1217	0.3474	0.6697	0.0369	0.1279	0.449	-0.2995	-0.3297	-0.2497	-0.1649	0.12	-0.0875	-0.0423	0.0454	-0.074	73.3291	55.4404	12.5224
29	1.907	-1.8525	0.2373	3.7365	0.0749	1.7298	-0.0441	-0.0975	0.0446	0.1435	0.0868	0.197	-0.0802	-0.3148	-0.0427	-0.1451	-0.0268	-0.0124	-0.1836	-0.0281	-0.2897	79.5787	39.9434	21.5663
30	2.9248	0.1848	1.5785	3.029	-0.1884	6.5829	-0.0201	0.0253	-0.3264	-0.1395	0.32	1.1014	0.352	-1.6004	-0.2999	-0.2029	-0.1375	-0.0271	0.2932	-0.0003	0.0979	62.7682	39.3581	16.7969

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	3 - 34
2	X-RAY DIFFRACTION	2	A	35 - 89
3	X-RAY DIFFRACTION	3	A	90 - 113
4	X-RAY DIFFRACTION	4	A	114 - 171
5	X-RAY DIFFRACTION	5	A	172 - 198
6	X-RAY DIFFRACTION	6	B	4 - 34
7	X-RAY DIFFRACTION	7	B	35 - 89
8	X-RAY DIFFRACTION	8	B	90 - 113
9	X-RAY DIFFRACTION	9	B	114 - 171
10	X-RAY DIFFRACTION	10	B	172 - 198
11	X-RAY DIFFRACTION	11	C	5 - 34
12	X-RAY DIFFRACTION	12	C	35 - 89
13	X-RAY DIFFRACTION	13	C	90 - 113
14	X-RAY DIFFRACTION	14	C	114 - 171
15	X-RAY DIFFRACTION	15	C	172 - 197
16	X-RAY DIFFRACTION	16	D	5 - 34
17	X-RAY DIFFRACTION	17	D	35 - 89
18	X-RAY DIFFRACTION	18	D	90 - 113
19	X-RAY DIFFRACTION	19	D	114 - 171
20	X-RAY DIFFRACTION	20	D	172 - 196
21	X-RAY DIFFRACTION	21	E	8 - 34
22	X-RAY DIFFRACTION	22	E	35 - 89
23	X-RAY DIFFRACTION	23	E	90 - 113
24	X-RAY DIFFRACTION	24	E	114 - 171
25	X-RAY DIFFRACTION	25	E	172 - 197
26	X-RAY DIFFRACTION	26	F	5 - 34
27	X-RAY DIFFRACTION	27	F	35 - 89
28	X-RAY DIFFRACTION	28	F	90 - 113
29	X-RAY DIFFRACTION	29	F	114 - 171
30	X-RAY DIFFRACTION	30	F	172 - 198

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