PDB-3zx0: NTPDase1 in complex with Heptamolybdate

ID or keywords:

Entry

Database: PDB / ID: 3zx0

Title

NTPDase1 in complex with Heptamolybdate

Components

ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 1

Keywords

HYDROLASE / DOMAIN ROTATION / POLYOXOMETALLATE / METAL CLUSTER / PURINERGIC SIGNALING

Function / homology

Function and homology information

response to proline / CDP phosphatase activity / apyrase / ITPase activity / apyrase activity / purine ribonucleoside diphosphate catabolic process / Phosphate bond hydrolysis by NTPDase proteins / UDP phosphatase activity / IDP phosphatase activity / cellular response to aluminum ion ...
Similarity search - Function

Biological species

RATTUS NORVEGICUS (Norway rat)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.5 Å

Authors

Zebisch, M. / Schaefer, P. / Straeter, N.

Citation

Journal: J. Mol. Biol. / Year: 2012
Title: Crystallographic evidence for a domain motion in rat nucleoside triphosphate diphosphohydrolase (NTPDase) 1.
Authors: Zebisch, M. / Krauss, M. / Schafer, P. / Strater, N.

History

Deposition	Aug 4, 2011	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Nov 30, 2011	Provider: repository / Type: Initial release
Revision 1.1	Jan 25, 2012	Group: Other
Revision 1.2	Jan 24, 2018	Group: Source and taxonomy / Category: entity_src_gen / Item: _entity_src_gen.pdbx_host_org_cell_line
Revision 2.0	Jan 30, 2019	Group: Atomic model / Data collection / Database references / Category: atom_site / citation Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _citation.journal_abbrev / _citation.journal_id_ISSN / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.title
Revision 2.1	Dec 20, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_alt_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_alt_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_alt_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_ptnr1_label_alt_id / _struct_conn.pdbx_ptnr2_label_alt_id / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 2.2	Oct 23, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

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Related structure data

Related structure data	3zx2C 3zx3C 3cj1S C: citing same article (ref.) S: Starting model for refinement
Similar structure data	3zx2-1 6pr4-d 3psx-d 3zx3-1 3zx2-2 3ucp-d 1pjs-d 2ip4-d 6xi9-d 6lrj-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) 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	#4 - Apr 2000 Collagen similarity (1) #116 - Aug 2009 Sulfotransferases similarity (1)

Deposited unit

A: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 1

B: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 1

C: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 1

D: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 1

hetero molecules

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

1

A: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 1

B: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 1

hetero molecules

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

2

C: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 1

D: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 1

hetero molecules

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

Unit cell

Length a, b, c (Å)	163.807, 80.267, 164.921
Angle α, β, γ (deg.)	90.00, 117.92, 90.00
Int Tables number	5
Space group name H-M	C121

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
4	1	D
1	2	A
2	2	B
3	2	C
4	2	D
1	3	A
2	3	B
3	3	C
4	3	D

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Refine code	Auth asym-ID	Auth seq-ID
1	1	1	3	A	46 - 171
2	1	1	3	B	46 - 171
3	1	1	3	C	46 - 171
4	1	1	3	D	46 - 171
1	1	2	3	A	172 - 190
2	1	2	3	B	172 - 190
3	1	2	3	C	172 - 190
4	1	2	3	D	172 - 190
1	2	2	4	A	442 - 462
2	2	2	4	B	442 - 462
3	2	2	4	C	442 - 462
4	2	2	4	D	442 - 462
1	1	3	3	A	205 - 227
2	1	3	3	B	205 - 227
3	1	3	3	C	205 - 227
4	1	3	3	D	205 - 227
1	2	3	4	A	235 - 441
2	2	3	4	B	235 - 441
3	2	3	4	C	235 - 441
4	2	3	4	D	235 - 441

NCS ensembles :

ID
1
2
3

NCS oper:

ID	Code	Matrix	Vector
1	given	(1), (1), (1)
2	given	(-0.905536, 0.418689, 0.068588), (0.366288, 0.68992, 0.624375), (0.214098, 0.590517, -0.778108)	33.50219, -47.43243, 139.99446
3	given	(-0.995601, 0.023051, 0.090817), (-0.076128, -0.764064, -0.640633), (0.054623, -0.644728, 0.762458)	41.47931, 46.15157, 95.8955
4	given	(0.935875, -0.268297, -0.228376), (-0.256671, -0.963203, 0.079747), (-0.241369, -0.016015, -0.970301)	12.00969, 49.11057, 100.27267

#1: Protein	ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 1 / NTPDASE 1 / ECTO-ATP DIPHOSPHOHYDROLASE 1 / ECTO-ATPDASE 1 / ECTO-ATPASE 1 / ECTO-APYRASE / ...NTPDASE 1 / ECTO-ATP DIPHOSPHOHYDROLASE 1 / ECTO-ATPDASE 1 / ECTO-ATPASE 1 / ECTO-APYRASE / LYMPHOID CELL ACTIVATION ANTIGEN / CD39 Mass: 50592.953 Da / Num. of mol.: 4 / Fragment: ECTODOMAIN, RESIDUES 38-189,206-477 Source method: isolated from a genetically manipulated source Details: A PUTATIVE MEMBRANE INTERACTION LOOP 190TQEQSWLNFISDSQKQA206 WAS REPLACED BY A SHORTER LINKER KTPGGS Source: (gene. exp.) RATTUS NORVEGICUS (Norway rat) / Plasmid: PET45B / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P97687, apyrase
#2: Chemical	... ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 22 / Source method: obtained synthetically / Formula: Cl
#3: Chemical	ChemComp-ACY / ACETIC ACID Mass: 60.052 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C₂H₄O₂
#4: Chemical	ChemComp-MO7 / bis(mu4-oxo)-bis(mu3-oxo)-octakis(mu2-oxo)-dodecaoxo-heptamolybdenum (VI) / HEPTAMOLYBDATE [Mo(VI)7O24]6- Mass: 1055.566 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mo₇O₂₄
#5: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Na
Has protein modification	Y
Sequence details	THE LOOP T190 TO A206 WAS REPLACED WITH THE SEQUENCE KTPGGS OF GB EDL94186.1. THE RESIDUES 80, 220, ...THE LOOP T190 TO A206 WAS REPLACED WITH THE SEQUENCE KTPGGS OF GB EDL94186.1. THE RESIDUES 80, 220, AND 227 MATCH THE GENBANK SEQUENCE.

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.4 Å³/Da / Density % sol: 49 % / Description: NONE
Crystal grow	pH: 4.2 / Details: 3.8M NACL, 100MM NAACETAT PH 4.2

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: BESSY / Beamline: 14.3 / Wavelength: 0.89461
Detector	Type: MARRESEARCH / Detector: CCD / Date: Aug 19, 2010
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.89461 Å / Relative weight: 1
Reflection	Resolution: 2.5→29.15 Å / Num. obs: 57453 / % possible obs: 87.6 % / Observed criterion σ(I): -3 / Redundancy: 3 % / B_iso Wilson estimate: 65.5 Å² / R_merge(I) obs: 0.06 / Net I/σ(I): 9.7
Reflection shell	Resolution: 2.5→2.63 Å / Redundancy: 2 % / R_merge(I) obs: 0.2 / Mean I/σ(I) obs: 2 / % possible all: 28.6

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Processing

Software

Name	Version	Classification
REFMAC	5.6.0117	refinement
XDS		data reduction
SCALA		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 3CJ1

3cj1

Resolution: 2.5→145.73 Å / Cor.coef. F_o:F_c: 0.943 / Cor.coef. F_o:F_c free: 0.914 / SU B: 25.855 / SU ML: 0.28 / Cross valid method: THROUGHOUT / ESU R: 0.773 / ESU R Free: 0.318 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.25718	1157	2 %	RANDOM
R_work	0.21336	-	-	-
obs	0.21426	56295	87.57 %	-

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: 72.46 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	1.05 Å²	0 Å²	-0.61 Å²
2-	-	3.73 Å²	0 Å²
3-	-	-	-5.35 Å²

Refinement step

Cycle: LAST / Resolution: 2.5→145.73 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12189	0	178	0	12367

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.015	0.02	12793
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	2.544	2.024	17535
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.072	5	1559
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	38.34	24.49	539
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	19.055	15	2059
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	26.439	15	25
X-RAY DIFFRACTION	r_chiral_restr	0.12	0.2	1819
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.021	9564
X-RAY DIFFRACTION	r_gen_planes_other
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
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it
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
2	1	A	141	medium positional	0.69	0.5
2	2	B	141	medium positional	0.7	0.5
2	3	C	141	medium positional	0.47	0.5
2	4	D	141	medium positional	0.44	0.5
3	1	A	1540	medium positional	0.41	0.5
3	2	B	1540	medium positional	0.41	0.5
3	3	C	1540	medium positional	0.38	0.5
3	4	D	1540	medium positional	0.34	0.5
1	1	A	408	loose positional	0.08	5
1	2	B	408	loose positional	0.08	5
1	3	C	408	loose positional	0.09	5
1	4	D	408	loose positional	0.14	5
2	1	A	80	loose positional	0.73	5
2	2	B	80	loose positional	0.98	5
2	3	C	80	loose positional	0.63	5
2	4	D	80	loose positional	0.61	5
3	1	A	58	loose positional	0.56	5
3	2	B	58	loose positional	0.31	5
3	3	C	58	loose positional	0.28	5
3	4	D	58	loose positional	0.31	5
1	1	A	459	tight thermal	2.11	0.5
1	2	B	459	tight thermal	1.48	0.5
1	3	C	459	tight thermal	1.57	0.5
1	4	D	459	tight thermal	1.93	0.5
2	1	A	76	tight thermal	0.92	0.5
2	2	B	76	tight thermal	1.75	0.5
2	3	C	76	tight thermal	1.55	0.5
2	4	D	76	tight thermal	1.64	0.5
3	1	A	88	tight thermal	1.47	0.5
3	2	B	88	tight thermal	2.4	0.5
3	3	C	88	tight thermal	1.76	0.5
3	4	D	88	tight thermal	2.41	0.5
2	1	A	141	medium thermal	3.62	2
2	2	B	141	medium thermal	2.93	2
2	3	C	141	medium thermal	1.81	2
2	4	D	141	medium thermal	2.35	2
3	1	A	1540	medium thermal	3.27	2
3	2	B	1540	medium thermal	2.91	2
3	3	C	1540	medium thermal	2.9	2
3	4	D	1540	medium thermal	2.64	2
1	1	A	408	loose thermal	2.74	10
1	2	B	408	loose thermal	2.35	10
1	3	C	408	loose thermal	2.11	10
1	4	D	408	loose thermal	3.8	10
2	1	A	80	loose thermal	1.79	10
2	2	B	80	loose thermal	2.62	10
2	3	C	80	loose thermal	1.96	10
2	4	D	80	loose thermal	2.35	10
3	1	A	58	loose thermal	1.43	10
3	2	B	58	loose thermal	3.15	10
3	3	C	58	loose thermal	2.04	10
3	4	D	58	loose thermal	2.29	10

LS refinement shell

Resolution: 2.502→2.567 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.311	16	-
R_work	0.301	709	-
obs	-	-	15.03 %

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	5.447	2.0278	-1.9756	5.7018	-1.3934	5.2832	-0.6118	0.3749	-0.6877	-0.3219	0.0635	-0.5075	1.5743	0.0103	0.5483	0.9849	-0.1704	0.1379	0.8152	-0.0855	0.4661	32.1883	-9.8973	96.8742
2	4.7516	-2.1699	3.1251	5.4577	-3.9354	8.8636	-0.1104	0.6232	-0.4608	-0.3756	0.0553	0.1094	1.6915	-0.6969	0.0551	0.8037	-0.5133	0.056	1.0889	-0.1607	0.4799	14.6563	-5.3793	95.9533
3	4.4738	1.4531	1.443	1.6953	1.1421	5.6369	-0.4054	0.6755	0.3177	-0.2619	0.3521	0.2143	-0.184	-0.8418	0.0533	0.4493	-0.0304	-0.0904	0.6261	0.1058	0.4025	23.7571	14.6418	103.9925
4	6.0599	0.8487	-0.8105	4.4794	1.5896	8.9037	-0.3988	-0.0177	-0.7284	-0.2466	0.0626	0.2184	0.9998	-0.8319	0.3362	0.6898	-0.1179	0.2225	0.4589	0.1759	0.614	5.9432	-0.4049	56.7012
5	9.0398	3.4476	1.9412	4.5169	-0.3269	5.6903	-0.4638	-0.4358	-1.8232	-0.4647	0.297	-0.6342	1.0443	-0.1872	0.1668	0.8555	0.1623	0.3457	0.4331	0.2459	1.0436	22.842	-4.2421	59.2769
6	2.682	0.0663	-0.8824	4.6032	-1.3226	5.1792	-0.0557	-0.9161	-0.2824	-0.0421	-0.0403	-0.4382	-0.2747	0.5236	0.096	0.4629	0.0572	0.0492	0.605	0.0466	0.4794	22.904	18.4827	65.267
7	4.6494	0.6137	1.2967	3.9322	1.7276	7.4008	-0.003	-0.323	0.5745	0.7833	-0.1164	0.3583	-0.863	-0.9668	0.1195	0.903	0.1852	0.1969	0.3309	0.0234	0.4615	13.8705	42.1629	35.7798
8	11.3437	-0.4387	-0.0177	5.2484	1.152	10.9375	0.3146	-0.1183	1.0204	1.0159	-0.2101	-0.5805	-0.995	-0.0206	-0.1045	0.7454	-0.0457	-0.0417	0.0378	0.0398	0.4618	30.5691	39.3949	30.3068
9	2.7031	0.6599	-2.0455	2.3093	-1.4756	4.8483	-0.1665	0.2638	-0.1572	0.2892	0.05	0.0976	0.3979	-0.4806	0.1165	0.4078	-0.0058	0.0354	0.171	-0.0303	0.3365	20.3338	18.4702	25.0924
10	2.7836	0.8831	-0.6758	5.6882	-1.1351	3.4054	0.0624	0.1202	0.3586	-0.0215	-0.1986	-0.3671	-0.2972	0.1072	0.1363	0.16	-0.0174	-0.0524	0.3787	0.0662	0.3052	34.5013	52.0865	-5.896
11	8.9117	-1.4117	-3.075	4.8702	-2.3583	7.5196	0.3341	-0.156	0.8861	0.2126	0.0061	0.4374	-0.9194	-0.5185	-0.3402	0.2539	0.1146	-0.0385	0.3748	0.019	0.444	17.7876	51.701	-0.7812
12	1.5891	0.2397	-0.8467	2.5524	0.1011	5.9348	-0.1712	0.2531	-0.1581	-0.3202	0.0527	0.2062	0.5475	-0.7356	0.1185	0.2176	-0.1298	-0.0639	0.4659	0.0368	0.3865	19.4946	30.1503	-9.9186

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	46 - 171
2	X-RAY DIFFRACTION	2	A	172 - 190
3	X-RAY DIFFRACTION	2	A	442 - 462
4	X-RAY DIFFRACTION	3	A	205 - 441
5	X-RAY DIFFRACTION	4	B	46 - 171
6	X-RAY DIFFRACTION	5	B	172 - 190
7	X-RAY DIFFRACTION	5	B	442 - 466
8	X-RAY DIFFRACTION	6	B	205 - 441
9	X-RAY DIFFRACTION	7	C	47 - 171
10	X-RAY DIFFRACTION	8	C	172 - 190
11	X-RAY DIFFRACTION	8	C	442 - 465
12	X-RAY DIFFRACTION	9	C	205 - 441
13	X-RAY DIFFRACTION	10	D	46 - 171
14	X-RAY DIFFRACTION	11	D	172 - 190
15	X-RAY DIFFRACTION	11	D	442 - 463
16	X-RAY DIFFRACTION	12	D	205 - 441

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