PDB-2fty: Crystal structure of dihydropyrimidinase from Saccharomyces kluyveri

ID or keywords:

Entry

Database: PDB / ID: 2fty

Title

Crystal structure of dihydropyrimidinase from Saccharomyces kluyveri

Components

dihydropyrimidinase

Keywords

HYDROLASE / alpha/beta barrel / beta-sandwich

Function / homology

Function and homology information

dihydropyrimidinase / dihydropyrimidinase activity / metal ion binding / cytoplasm
Similarity search - Function

Biological species

Lachancea kluyveri (fungus)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.4 Å

Authors

Dobritzsch, D. / Lohkamp, B.

Citation

Journal: J.Biol.Chem. / Year: 2006
Title: The Crystal Structures of Dihydropyrimidinases Reaffirm the Close Relationship between Cyclic Amidohydrolases and Explain Their Substrate Specificity.
Authors: Lohkamp, B. / Andersen, B. / Piskur, J. / Dobritzsch, D.

History

Deposition	Jan 25, 2006	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Mar 14, 2006	Provider: repository / Type: Initial release
Revision 1.1	May 1, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.3	Oct 25, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_conn_type / struct_ncs_dom_lim / 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 / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_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.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_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.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _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_conn_type.id / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_seq_id / _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	Nov 15, 2023	Group: Data collection / Category: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

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Related structure data

Related structure data	2ftwC 2fvkC 2fvmC 1nfgS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	2fvm-d 2fvk-d 4oo8-1 5nv4-d 5iz5-d 4v1t-d 3qrf-d 5ola-1 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	#215 - Nov 2017 Aspartate Transcarbamoylase similarity (4) #158 - Feb 2013 Proton-Gated Urea Channel similarity (4)

Deposited unit

A: dihydropyrimidinase

B: dihydropyrimidinase

C: dihydropyrimidinase

D: dihydropyrimidinase

hetero molecules

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

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	91.428, 73.320, 162.181
Angle α, β, γ (deg.)	90.00, 91.59, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Ens-ID: 1

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Refine code	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	ILE	ILE	SER	SER	2	A	A	3 - 103	2 - 102
2	1	ILE	ILE	SER	SER	2	B	B	3 - 103	2 - 102
3	1	ILE	ILE	SER	SER	2	C	C	3 - 103	2 - 102
4	1	ILE	ILE	SER	SER	2	D	D	3 - 103	2 - 102
5	2	GLY	GLY	GLU	GLU	2	A	A	106 - 140	105 - 139
6	2	GLY	GLY	GLU	GLU	2	B	B	106 - 140	105 - 139
7	2	GLY	GLY	GLU	GLU	2	C	C	106 - 140	105 - 139
8	2	GLY	GLY	GLU	GLU	2	D	D	106 - 140	105 - 139
9	3	VAL	VAL	ARG	ARG	2	A	A	152 - 292	151 - 291
10	3	VAL	VAL	ARG	ARG	2	B	B	152 - 292	151 - 291
11	3	VAL	VAL	ARG	ARG	2	C	C	152 - 292	151 - 291
12	3	VAL	VAL	ARG	ARG	2	D	D	152 - 292	151 - 291
13	4	ILE	ILE	PRO	PRO	2	A	A	306 - 379	305 - 378
14	4	ILE	ILE	PRO	PRO	2	B	B	306 - 379	305 - 378
15	4	ILE	ILE	PRO	PRO	2	C	C	306 - 379	305 - 378
16	4	ILE	ILE	PRO	PRO	2	D	D	306 - 379	305 - 378
17	5	ASN	ASN	TYR	TYR	2	A	A	382 - 540	381 - 539
18	5	ASN	ASN	TYR	TYR	2	B	B	382 - 540	381 - 539
19	5	ASN	ASN	TYR	TYR	2	C	C	382 - 540	381 - 539
20	5	ASN	ASN	TYR	TYR	2	D	D	382 - 540	381 - 539
21	6	ZN	ZN	ZN	ZN	6	A	E - F	601 - 602
22	6	ZN	ZN	ZN	ZN	6	B	G - H	601 - 602
23	6	ZN	ZN	ZN	ZN	6	C	I - J	601 - 602
24	6	ZN	ZN	ZN	ZN	6	D	K - L	601 - 602

Details

the asymmetric unit contains the biological assembly, which is the homotetramer

#1: Protein	dihydropyrimidinase Mass: 62325.090 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lachancea kluyveri (fungus) / Gene: Pyd2 / Plasmid: P343 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 / References: UniProt: Q9P903, dihydropyrimidinase
#2: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Zn
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 681 / 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: 2.18 Å³/Da / Density % sol: 43.54 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 20% PEG 3350, 0.1M ammonium sulfate, 0.001mM zinc chloride, 0.1M bis-tris , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-2 / Wavelength: 0.931 Å
Detector	Type: ADSC QUANTUM 4 / Detector: CCD / Date: Apr 18, 2004
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.931 Å / Relative weight: 1
Reflection	Resolution: 2.4→44.3 Å / Num. all: 83629 / Num. obs: 83629 / % possible obs: 99.3 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.1 % / B_iso Wilson estimate: 44.9 Å² / R_sym value: 0.086 / Net I/σ(I): 13.5
Reflection shell	Resolution: 2.4→2.53 Å / Redundancy: 3 % / Mean I/σ(I) obs: 3.2 / Num. unique all: 12084 / R_sym value: 0.309 / % possible all: 98.7

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0005	refinement
MOSFLM		data reduction
CCP4	(SCALA)	data scaling
EPMR		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB entry 1nfg

1nfg

Resolution: 2.4→43.85 Å / Cor.coef. F_o:F_c: 0.923 / Cor.coef. F_o:F_c free: 0.883 / SU B: 19.086 / SU ML: 0.236 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.701 / ESU R Free: 0.314 / Stereochemistry target values: MAXIMUM LIKELIHOOD

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2737	4233	5.1 %	RANDOM
R_work	0.21712	-	-	-
obs	0.21996	79226	98.98 %	-
all	-	79226	-	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK

Displacement parameters

B_iso mean: 35.905 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.1 Å²	0 Å²	0.41 Å²
2-	-	2.7 Å²	0 Å²
3-	-	-	-2.57 Å²

Refinement step

Cycle: LAST / Resolution: 2.4→43.85 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16587	0	8	681	17276

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.009	0.022	17032
X-RAY DIFFRACTION	r_angle_refined_deg	1.193	1.966	23090
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.872	5	2131
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.512	24.993	729
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.726	15	2910
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.679	15	60
X-RAY DIFFRACTION	r_chiral_restr	0.081	0.2	2561
X-RAY DIFFRACTION	r_gen_planes_refined	0.003	0.02	12814
X-RAY DIFFRACTION	r_nbd_refined	0.191	0.2	7973
X-RAY DIFFRACTION	r_nbtor_refined	0.3	0.2	11585
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.158	0.2	998
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.228	0.2	48
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.246	0.2	12
X-RAY DIFFRACTION	r_mcbond_it	0.296	1.5	10920
X-RAY DIFFRACTION	r_mcangle_it	0.493	2	17185
X-RAY DIFFRACTION	r_scbond_it	0.983	3	7045
X-RAY DIFFRACTION	r_scangle_it	1.548	4.5	5898

Refine LS restraints NCS

Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	A	2036	tight positional	0.03	0.05
2	B	2036	tight positional	0.03	0.05
3	C	2036	tight positional	0.03	0.05
4	D	2036	tight positional	0.03	0.05
1	A	1927	medium positional	0.31	0.5
2	B	1927	medium positional	0.38	0.5
3	C	1927	medium positional	0.39	0.5
4	D	1927	medium positional	0.36	0.5
1	A	3	loose positional	0.41	5
2	B	3	loose positional	0.47	5
3	C	3	loose positional	0.17	5
4	D	3	loose positional	0.1	5
1	A	2036	tight thermal	0.05	0.5
2	B	2036	tight thermal	0.05	0.5
3	C	2036	tight thermal	0.06	0.5
4	D	2036	tight thermal	0.05	0.5
1	A	1927	medium thermal	0.38	2
2	B	1927	medium thermal	0.36	2
3	C	1927	medium thermal	0.39	2
4	D	1927	medium thermal	0.35	2
1	A	3	loose thermal	1.94	10
2	B	3	loose thermal	0.77	10
3	C	3	loose thermal	0.46	10
4	D	3	loose thermal	1.09	10

LS refinement shell

Resolution: 2.4→2.462 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.297	313	-
R_work	0.238	5758	-
obs	-	-	98.32 %

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	1.7397	-0.1511	0.1758	0.7765	0.0104	0.9933	0.0175	-0.1872	-0.0814	0.1092	-0.0493	0.0924	0.1013	-0.1873	0.0318	-0.0879	-0.0322	0.086	-0.0896	-0.0007	-0.1095	48.3141	56.3314	77.8257
2	1.7118	-0.4442	1.4345	3.6046	-2.1127	5.2302	-0.0473	-0.0072	0.1787	-0.0479	0.1374	0.3441	-0.3783	-0.4359	-0.0901	-0.1625	-0.0067	0.0945	0.022	-0.0642	-0.0105	35.2487	64.7072	62.1814
3	0.6761	0.0444	-0.0118	0.595	0.6027	1.0828	0.0124	0.0427	-0.0315	0.0096	-0.091	0.1272	0.1142	-0.185	0.0785	-0.0755	-0.0038	0.037	-0.1212	-0.0115	-0.1086	42.7149	58.5565	50.7759
4	2.1479	3.0412	-0.0625	10.3402	-1.5515	1.9651	0.0961	0.0166	-0.3612	-0.2072	-0.2912	-0.1381	0.3371	-0.0251	0.1951	-0.0756	0.0241	0.0339	-0.0939	-0.0238	-0.1226	56.131	50.7369	53.892
5	0.9592	0.3	0.3769	0.701	-0.0404	1.3854	0.0412	0.0093	-0.2545	-0.0889	-0.0183	0.0274	0.2827	-0.0675	-0.023	-0.0257	-0.0101	0.0452	-0.1275	0.011	-0.0503	50.539	45.3775	63.6135
6	0.6901	0.1258	0.2858	1.1969	-0.395	1.9362	0.064	-0.1445	-0.091	0.15	-0.1283	-0.1129	0.1543	-0.0593	0.0643	-0.1168	-0.0321	0.0559	-0.0763	0.0249	-0.0768	51.5546	52.294	72.7439
7	1.8182	0.2559	-0.1602	1.0958	-0.068	0.8581	0.0616	0.2476	0.1666	-0.1167	-0.0504	0.1035	-0.1179	-0.1259	-0.0112	-0.0032	0.0305	-0.0349	-0.0934	0.0116	-0.1504	50.8547	64.3044	3.2569
8	1.4846	0.5136	-2.1612	4.1832	-2.1995	5.6259	-0.1148	-0.0213	-0.1927	-0.0888	0.1919	0.3354	0.304	-0.4386	-0.0771	-0.1474	-0.0072	-0.0552	0.0279	-0.0539	0.008	36.2148	56.9049	16.8993
9	0.7002	0.0053	0.1185	0.285	0.2339	1.0453	-0.0054	-0.0451	0.0194	-0.0579	-0.0861	0.1797	-0.1511	-0.1985	0.0916	-0.0701	0.0212	0.0259	-0.0988	-0.0165	-0.1078	43.2898	62.079	30.0512
10	2.2582	-2.3069	0.2467	10.4069	-1.8445	1.7317	0.02	0.0027	0.3049	0.305	-0.1992	-0.0482	-0.3795	0.0242	0.1791	-0.0575	-0.0215	0.0148	-0.0556	-0.0366	-0.1403	56.9264	69.8431	27.571
11	1.2229	-0.5445	-0.3757	1.0896	0.1743	1.6621	0.0397	0.083	0.278	-0.0817	-0.0373	-0.0023	-0.3932	-0.0496	-0.0025	0.0592	0.0067	-0.0036	-0.1232	0.0382	-0.0484	52.8318	76.4443	13.0411
12	0.9571	-0.8448	0.487	2.9303	-3.8092	7.1524	-0.0338	0.0097	-0.2772	-0.2079	-0.0392	0.1028	0.6347	0.0709	0.073	-0.0027	-0.0243	0.0267	-0.122	-0.0431	-0.0461	48.9689	45.925	22.2805
13	2.3179	-0.3387	-0.403	1.1696	0.355	1.0519	0.0328	-0.3	0.204	0.0544	0.0244	-0.128	-0.0527	0.2539	-0.0572	-0.0869	-0.0308	-0.0119	-0.0579	-0.0291	-0.1228	83.655	73.7507	76.6028
14	1.7057	-0.8406	-0.3753	4.5113	1.5338	2.425	-0.1466	-0.1847	-0.4358	-0.1979	0.282	-0.2417	0.4758	0.408	-0.1353	-0.0845	-0.038	0.0072	0.0487	-0.004	0.0423	96.9204	59.3293	61.6688
15	0.8454	-0.2263	0.1372	0.3994	-0.1609	1.5592	-0.0162	0.0626	0.0548	-0.0099	0.0241	-0.2346	-0.1697	0.1737	-0.0079	-0.0898	-0.003	0.0321	-0.0817	0.007	-0.0862	90.2033	64.7813	51.1801
16	1.9817	2.9506	-0.6424	12.0746	-0.8558	2.8916	0.0189	0.113	0.2962	-0.3773	-0.1068	0.1929	-0.3836	0.0368	0.0879	-0.1286	0.0597	0.0309	-0.0915	0.0063	-0.1349	76.499	72.1647	51.9492
17	1.3837	-0.0004	-0.3627	0.8058	0.3238	1.5728	0.0282	0.1668	0.3168	-0.1915	-0.0318	-0.0898	-0.3117	0.1513	0.0036	-0.0192	-0.0279	0.0272	-0.0879	0.0302	-0.0302	81.7806	80.6015	59.8415
18	0.9736	-0.1256	-0.3252	1.7476	0.878	2.1618	0.051	-0.0956	0.1709	0.0563	-0.04	0.0663	-0.1839	0.1182	-0.011	-0.1661	-0.0267	0.0148	-0.0899	-0.0091	-0.0814	80.0461	76.2933	70.4838
19	2.5296	0.172	0.5704	0.8347	0.1747	1.0111	0.0666	0.2758	-0.172	-0.0865	0.0133	-0.0897	0.124	0.346	-0.0799	-0.0424	0.0267	0.0586	0.0088	-0.027	-0.0922	85.1793	47.271	6.3184
20	2.8255	1.6259	1.6117	5.4036	3.593	5.0714	0.0212	-0.1165	0.2098	-0.1697	0.1643	-0.5437	-0.3701	0.3987	-0.1855	-0.1526	-0.0043	0.0273	0.0898	0.0155	0.0443	98.127	59.0513	19.5287
21	0.9052	0.2023	-0.0146	0.7263	-0.4806	1.6137	0.0044	-0.017	-0.0658	-0.0455	-0.0416	-0.1526	0.1893	0.276	0.0372	-0.0697	0.0047	0.0389	-0.0692	-0.0005	-0.0758	90.8259	56.0884	32.01
22	1.9403	-1.9849	0.6074	7.0421	1.0091	2.3381	-0.0158	-0.1479	-0.3768	0.3245	0.0485	-0.0109	0.4663	-0.0533	-0.0327	-0.0392	-0.0686	0.0461	-0.0544	0.015	-0.0614	77.6349	48.3352	31.0209
23	1.4219	-0.1189	0.636	1.0852	0.0573	1.782	0.0711	-0.1491	-0.2937	0.1548	-0.0627	-0.136	0.3135	0.2151	-0.0084	0.0238	0.0228	0.03	-0.0695	0.02	-0.011	82.9844	40.2111	22.8971
24	0.9481	-0.0697	0.4423	2.0512	0.6519	1.7862	0.0737	0.1282	-0.191	-0.1361	-0.0092	0.0515	0.1857	0.2066	-0.0645	-0.0727	0.0097	0.0382	-0.0323	-0.0019	-0.0649	81.7671	44.5536	12.1603

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	2 - 122	1 - 121
2	X-RAY DIFFRACTION	2	A	A	123 - 151	122 - 150
3	X-RAY DIFFRACTION	3	A	A	152 - 254	151 - 253
4	X-RAY DIFFRACTION	4	A	A	255 - 306	254 - 305
5	X-RAY DIFFRACTION	5	A	A	307 - 455	306 - 454
6	X-RAY DIFFRACTION	6	A	A	456 - 541	455 - 540
7	X-RAY DIFFRACTION	7	B	B	2 - 119	1 - 118
8	X-RAY DIFFRACTION	8	B	B	120 - 151	119 - 150
9	X-RAY DIFFRACTION	9	B	B	152 - 254	151 - 253
10	X-RAY DIFFRACTION	10	B	B	255 - 306	254 - 305
11	X-RAY DIFFRACTION	11	B	B	307 - 514	306 - 513
12	X-RAY DIFFRACTION	12	B	B	515 - 541	514 - 540
13	X-RAY DIFFRACTION	13	C	C	2 - 126	1 - 125
14	X-RAY DIFFRACTION	14	C	C	127 - 151	126 - 150
15	X-RAY DIFFRACTION	15	C	C	152 - 254	151 - 253
16	X-RAY DIFFRACTION	16	C	C	255 - 306	254 - 305
17	X-RAY DIFFRACTION	17	C	C	307 - 454	306 - 453
18	X-RAY DIFFRACTION	18	C	C	455 - 541	454 - 540
19	X-RAY DIFFRACTION	19	D	D	2 - 122	1 - 121
20	X-RAY DIFFRACTION	20	D	D	123 - 151	122 - 150
21	X-RAY DIFFRACTION	21	D	D	152 - 254	151 - 253
22	X-RAY DIFFRACTION	22	D	D	255 - 306	254 - 305
23	X-RAY DIFFRACTION	23	D	D	307 - 454	306 - 453
24	X-RAY DIFFRACTION	24	D	D	455 - 541	454 - 540

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