PDB-3zwy: Crystal structure of ADP-ribosyl cyclase complexed with 8-bromo-A...

ID or keywords:

Entry

Database: PDB / ID: 3zwy

Title

Crystal structure of ADP-ribosyl cyclase complexed with 8-bromo-ADP- ribose and cyclic 8-bromo-cyclic-ADP-ribose

Components

ADP-RIBOSYL CYCLASE

Keywords

HYDROLASE / SUBSTRATE SPECIFICITY

Function / homology

Function and homology information

2'-phospho-ADP-ribosyl cyclase/2'-phospho-cyclic-ADP-ribose transferase / phosphorus-oxygen lyase activity / NAD+ nucleosidase activity, cyclic ADP-ribose generating / Hydrolases; Glycosylases; Hydrolysing N-glycosyl compounds / single fertilization / positive regulation of B cell proliferation / transferase activity / cytoplasmic vesicle / plasma membrane
Similarity search - Function

Biological species

APLYSIA CALIFORNICA (California sea hare)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.4 Å

Authors

Kotaka, M. / Graeff, R. / Zhang, L.H. / Lee, H.C. / Hao, Q.

Citation

Journal: To be Published
Title: Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase.
Authors: Kotaka, M. / Graeff, R. / Chen, Z. / Zhang, L.H. / Lee, H.C. / Hao, Q.

History

Deposition	Aug 3, 2011	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Aug 22, 2012	Provider: repository / Type: Initial release
Revision 1.1	Oct 31, 2012	Group: Other
Revision 1.2	Dec 20, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description / Structure summary Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / entity / pdbx_database_status / pdbx_entity_nonpoly / pdbx_initial_refinement_model / struct_ncs_dom_lim / struct_site Item: _chem_comp.name / _database_2.pdbx_DOI ..._chem_comp.name / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity.pdbx_description / _pdbx_database_status.status_code_sf / _pdbx_entity_nonpoly.name / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.3	Nov 6, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	3zwy_validation.pdf.gz	3.1 MB	Display	wwPDB validaton report
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Data in CIF	3zwy_validation.cif.gz	104.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/zw/3zwy ftp://data.pdbj.org/pub/pdb/validation_reports/zw/3zwy	HTTPS FTP

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Related structure data

Related structure data	3zwxC 1r12S 1lbe 1r0s 1r15 1r16 3zwn 3zwo 3zwp S: Starting model for refinement C: citing same article (ref.)
Similar structure data	1r15-2 3zww-2 3zww-4 3zwo-3 3zwp-4 3zww-3 1r16-d 1lbe-d 3zwp-3 3zwv-1 3zwm-1 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

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: ADP-RIBOSYL CYCLASE

B: ADP-RIBOSYL CYCLASE

C: ADP-RIBOSYL CYCLASE

D: ADP-RIBOSYL CYCLASE

E: ADP-RIBOSYL CYCLASE

F: ADP-RIBOSYL CYCLASE

G: ADP-RIBOSYL CYCLASE

H: ADP-RIBOSYL CYCLASE

hetero molecules

243 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

C: ADP-RIBOSYL CYCLASE

D: ADP-RIBOSYL CYCLASE

hetero molecules

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

2

G: ADP-RIBOSYL CYCLASE

H: ADP-RIBOSYL CYCLASE

hetero molecules

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

3

E: ADP-RIBOSYL CYCLASE

F: ADP-RIBOSYL CYCLASE

hetero molecules

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

4

A: ADP-RIBOSYL CYCLASE

B: ADP-RIBOSYL CYCLASE

hetero molecules

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

Unit cell

Length a, b, c (Å)	60.286, 77.013, 140.338
Angle α, β, γ (deg.)	87.50, 89.27, 88.99
Int Tables number	1
Space group name H-M	P1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
4	1	D
5	1	E
6	1	F
7	1	G
8	1	H

NCS domain segments:

Ens-ID: 1 / Refine code: 5

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	LEU	LEU	ARG	ARG	A	A	7 - 22	9 - 24
2	1	LEU	LEU	ARG	ARG	B	B	7 - 22	9 - 24
3	1	LEU	LEU	ARG	ARG	C	C	7 - 22	9 - 24
4	1	LEU	LEU	ARG	ARG	D	D	7 - 22	9 - 24
5	1	LEU	LEU	ARG	ARG	E	E	7 - 22	9 - 24
6	1	LEU	LEU	ARG	ARG	F	F	7 - 22	9 - 24
7	1	LEU	LEU	ARG	ARG	G	G	7 - 22	9 - 24
8	1	LEU	LEU	ARG	ARG	H	H	7 - 22	9 - 24
1	2	CYS	CYS	SER	SER	A	A	34 - 46	36 - 48
2	2	CYS	CYS	SER	SER	B	B	34 - 46	36 - 48
3	2	CYS	CYS	SER	SER	C	C	34 - 46	36 - 48
4	2	CYS	CYS	SER	SER	D	D	34 - 46	36 - 48
5	2	CYS	CYS	SER	SER	E	E	34 - 46	36 - 48
6	2	CYS	CYS	SER	SER	F	F	34 - 46	36 - 48
7	2	CYS	CYS	SER	SER	G	G	34 - 46	36 - 48
8	2	CYS	CYS	SER	SER	H	H	34 - 46	36 - 48
1	3	TYR	TYR	GLN	GLN	A	A	58 - 66	60 - 68
2	3	TYR	TYR	GLN	GLN	B	B	58 - 66	60 - 68
3	3	TYR	TYR	GLN	GLN	C	C	58 - 66	60 - 68
4	3	TYR	TYR	GLN	GLN	D	D	58 - 66	60 - 68
5	3	TYR	TYR	GLN	GLN	E	E	58 - 66	60 - 68
6	3	TYR	TYR	GLN	GLN	F	F	58 - 66	60 - 68
7	3	TYR	TYR	GLN	GLN	G	G	58 - 66	60 - 68
8	3	TYR	TYR	GLN	GLN	H	H	58 - 66	60 - 68
1	4	ASN	ASN	GLY	GLY	A	A	72 - 113	74 - 115
2	4	ASN	ASN	GLY	GLY	B	B	72 - 113	74 - 115
3	4	ASN	ASN	GLY	GLY	C	C	72 - 113	74 - 115
4	4	ASN	ASN	GLY	GLY	D	D	72 - 113	74 - 115
5	4	ASN	ASN	GLY	GLY	E	E	72 - 113	74 - 115
6	4	ASN	ASN	GLY	GLY	F	F	72 - 113	74 - 115
7	4	ASN	ASN	GLY	GLY	G	G	72 - 113	74 - 115
8	4	ASN	ASN	GLY	GLY	H	H	72 - 113	74 - 115
1	5	TRP	TRP	GLY	GLY	A	A	140 - 161	142 - 163
2	5	TRP	TRP	GLY	GLY	B	B	140 - 161	142 - 163
3	5	TRP	TRP	GLY	GLY	C	C	140 - 161	142 - 163
4	5	TRP	TRP	GLY	GLY	D	D	140 - 161	142 - 163
5	5	TRP	TRP	GLY	GLY	E	E	140 - 161	142 - 163
6	5	TRP	TRP	GLY	GLY	F	F	140 - 161	142 - 163
7	5	TRP	TRP	GLY	GLY	G	G	140 - 161	142 - 163
8	5	TRP	TRP	GLY	GLY	H	H	140 - 161	142 - 163
1	6	ARG	ARG	ALA	ALA	A	A	189 - 245	191 - 247
2	6	ARG	ARG	ALA	ALA	B	B	189 - 245	191 - 247
3	6	ARG	ARG	ALA	ALA	C	C	189 - 245	191 - 247
4	6	ARG	ARG	ALA	ALA	D	D	189 - 245	191 - 247
5	6	ARG	ARG	ALA	ALA	E	E	189 - 245	191 - 247
6	6	ARG	ARG	ALA	ALA	F	F	189 - 245	191 - 247
7	6	ARG	ARG	ALA	ALA	G	G	189 - 245	191 - 247
8	6	ARG	ARG	ALA	ALA	H	H	189 - 245	191 - 247

NCS oper:

ID	Code	Matrix	Vector
1	given	(0.6116, -0.3157, -0.7255), (-0.3139, -0.9385, 0.1438), (-0.7263, 0.1398, -0.673)	0.0076, -0.4264, -0.0397
2	given	(0.6043, 0.2952, 0.74), (-0.3214, 0.9402, -0.1126), (-0.7291, -0.1697, 0.6631)	-17.9592, -25.2288, 35.6911
3	given	(0.9999, -0.0103, 0.0113), (-0.0101, -0.9998, -0.0176), (0.0115, 0.0175, -0.9998)	-28.367, 34.734, -14.2152
4	given	(0.5266, 0.7936, 0.3047), (-0.8424, 0.4391, 0.3122), (0.114, -0.4211, 0.8998)	-28.7056, -0.311, -53.0817
5	given	(0.5266, 0.6313, -0.5693), (0.6199, -0.7435, -0.2511), (-0.5818, -0.2207, -0.7828)	20.9325, 1.4261, 56.5045
6	given	(0.5159, -0.791, -0.3288), (-0.8481, -0.4176, -0.3261), (0.1206, 0.4471, -0.8863)	-20.1938, 34.9416, -83.9661
7	given	(0.516, -0.6575, 0.549), (0.6329, 0.7246, 0.2729), (-0.5772, 0.2067, 0.79)	36.1224, -39.1526, 76.4077

#1: Protein	ADP-RIBOSYL CYCLASE / ADRC / NAD GLYCOHYDROLASE / NAD(+) NUCLEOSIDASE / NADASE Mass: 29722.102 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) APLYSIA CALIFORNICA (California sea hare) Plasmid: PPICZALPHAA / Production host: PICHIA PASTORIS (fungus) / Strain (production host): X-33 / References: UniProt: P29241, NAD+ glycohydrolase
#2: Chemical	ChemComp-AV1 / [(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate / 8-BROMOADENOSINE-5'-O-DIPHOSPHORIBOSE Mass: 622.212 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C₁₅H₂₂BrN₅O₁₃P₂
#3: Chemical	ChemComp-CV1 / (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide / 8-BROMO-CYCLIC-ADP-RIBOSE Mass: 621.204 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₅H₂₁BrN₅O₁₃P₂
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 360 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.85 Å³/Da / Density % sol: 56.82 % / Description: NONE
Crystal grow	pH: 7.5 / Details: 0.1M IMIDAZOLE, PH 7.5, 12-14% PEG 4000

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: NSRRC / Beamline: BL13B1 / Wavelength: 1
Detector	Type: ADSC CCD / Detector: CCD / Date: May 28, 2011
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.4→30 Å / Num. obs: 94870 / % possible obs: 97.1 % / Observed criterion σ(I): 1 / Redundancy: 3.6 % / B_iso Wilson estimate: 55.4 Å² / R_merge(I) obs: 0.09 / Net I/σ(I): 17.1
Reflection shell	Resolution: 2.4→2.49 Å / R_merge(I) obs: 0.44 / Mean I/σ(I) obs: 1.7 / % possible all: 91.7

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Processing

Software

Name	Version	Classification
REFMAC	5.5.0102	refinement
HKL-2000		data reduction
HKL-2000		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1R12

1r12

Resolution: 2.4→30 Å / Cor.coef. F_o:F_c: 0.944 / Cor.coef. F_o:F_c free: 0.905 / SU B: 22.203 / SU ML: 0.234 / Cross valid method: THROUGHOUT / ESU R: 0.452 / ESU R Free: 0.302 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.28313	4730	5 %	RANDOM
R_work	0.21472	-	-	-
obs	0.2181	90135	96.44 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 56.331 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	2.95 Å²	0.99 Å²	-0.57 Å²
2-	-	0.05 Å²	2.51 Å²
3-	-	-	-3.24 Å²

Refinement step

Cycle: LAST / Resolution: 2.4→30 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16111	0	288	360	16759

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.019	0.022	16880
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.847	1.983	22929
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.002	5	2003
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	32.473	23.571	784
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	19.462	15	2800
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	21.196	15	112
X-RAY DIFFRACTION	r_chiral_restr	0.123	0.2	2444
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.021	12797
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	0.722	1.5	10047
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	1.368	2	16205
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	2.358	3	6833
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	3.757	4.5	6724
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

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

Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	A	636	medium positional	0.2	0.5
2	B	636	medium positional	0.19	0.5
3	C	636	medium positional	0.17	0.5
4	D	636	medium positional	0.21	0.5
5	E	636	medium positional	0.24	0.5
6	F	636	medium positional	0.24	0.5
7	G	636	medium positional	0.25	0.5
8	H	636	medium positional	0.26	0.5
1	A	633	loose positional	0.51	5
2	B	633	loose positional	0.58	5
3	C	633	loose positional	0.48	5
4	D	633	loose positional	0.58	5
5	E	633	loose positional	0.5	5
6	F	633	loose positional	0.53	5
7	G	633	loose positional	0.53	5
8	H	633	loose positional	0.59	5
1	A	636	medium thermal	0.8	2
2	B	636	medium thermal	1.2	2
3	C	636	medium thermal	0.88	2
4	D	636	medium thermal	0.94	2
5	E	636	medium thermal	0.84	2
6	F	636	medium thermal	0.79	2
7	G	636	medium thermal	0.89	2
8	H	636	medium thermal	0.8	2
1	A	633	loose thermal	1.28	10
2	B	633	loose thermal	1.49	10
3	C	633	loose thermal	1.34	10
4	D	633	loose thermal	1.29	10
5	E	633	loose thermal	1.19	10
6	F	633	loose thermal	0.98	10
7	G	633	loose thermal	1.15	10
8	H	633	loose thermal	1.03	10

LS refinement shell

Resolution: 2.401→2.463 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.39	323	-
R_work	0.28	5504	-
obs	-	-	81.29 %

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	1.6256	0.2205	-0.0817	1.0303	-0.0729	0.7829	-0.0633	0.1274	0.1108	-0.4146	0.156	0.0854	0.0088	-0.0928	-0.0928	0.1904	-0.0642	-0.0436	0.1281	-0.0074	0.1491	-6.5344	-4.7044	-13.2427
2	1.5135	-0.3406	0.4417	1.2196	-0.1134	1.2924	-0.0339	-0.1908	-0.0199	-0.0024	0.0611	0.0286	-0.0834	-0.1185	-0.0272	0.0103	-0.0162	0.0089	0.1504	-0.0392	0.1339	6.992	4.2013	13.0437
3	1.5811	0.3928	-0.3367	0.8087	0.0377	1.9377	-0.0846	0.2573	0.0588	-0.0361	0.0192	-0.0157	0.1052	-0.0442	0.0654	0.0197	0.0107	-0.0202	0.1475	-0.0287	0.1425	36.0454	31.0044	-26.3014
4	2.0167	-0.185	0.0996	0.7254	-0.1484	0.8774	-0.0516	-0.2486	-0.1091	0.26	0.1208	0.0103	0.0182	0.0319	-0.0692	0.1431	0.0251	0.0044	0.1357	-0.0387	0.1495	22.1401	39.3223	0.068
5	0.8072	0.1988	0.2709	1.9169	-0.8611	1.9281	0.0417	-0.0561	-0.0492	0.2072	0.1348	0.0153	-0.133	-0.1486	-0.1766	0.0291	0.0058	-0.0153	0.19	-0.0035	0.1378	19.8825	-1.196	41.0851
6	0.9748	0.2897	0.1574	1.6254	-1.3391	1.7687	-0.0858	-0.2964	-0.0505	0.5942	0.2308	0.0478	-0.8169	-0.2956	-0.145	0.5556	0.1374	0.0239	0.3497	0.0059	0.172	22.2019	2.593	71.8664
7	0.7395	-0.383	-0.4059	1.3972	-1.0103	2.9116	-0.0445	0.0394	0.0434	-0.1783	0.0303	-0.0659	0.1244	-0.0586	0.0142	0.0706	-0.0024	0.0117	0.1945	-0.0045	0.1527	49.2077	37.496	-54.1617
8	1.2548	-0.9658	-0.2135	1.8648	-1.0995	1.9257	-0.1188	0.3276	0.0712	-0.2829	0.0392	0.0129	0.6413	-0.1919	0.0796	0.3786	-0.0462	0.0356	0.3638	0.0451	0.1774	51.4188	34.5209	-84.9116

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 251
2	X-RAY DIFFRACTION	2	B	0 - 251
3	X-RAY DIFFRACTION	3	C	-1 - 250
4	X-RAY DIFFRACTION	4	D	1 - 251
5	X-RAY DIFFRACTION	5	E	1 - 251
6	X-RAY DIFFRACTION	6	F	1 - 251
7	X-RAY DIFFRACTION	7	G	1 - 251
8	X-RAY DIFFRACTION	8	H	1 - 251

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