PDB-2c9b: Lumazine Synthase from Mycobacterium tuberculosus Bound to 3-(1,3...

ID or keywords:

Entry

Database: PDB / ID: 2c9b

Title

Lumazine Synthase from Mycobacterium tuberculosus Bound to 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL)

Components

6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

Keywords

TRANSFERASE / INHIBITOR BINDING

Function / homology

Function and homology information

6,7-dimethyl-8-ribityllumazine synthase / 6,7-dimethyl-8-ribityllumazine synthase activity / riboflavin synthase complex / riboflavin biosynthetic process / cytoplasm / cytosol
Similarity search - Function

Biological species

MYCOBACTERIUM TUBERCULOSIS (bacteria)

Method

X-RAY DIFFRACTION /

MOLECULAR REPLACEMENT / Resolution: 2.75 Å

Authors

Morgunova, E. / Illarionov, B. / Jin, G. / Haase, I. / Fischer, M. / Cushman, M. / Bacher, A. / Ladenstein, R.

Citation

Journal: FEBS J. / Year: 2006
Title: Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis.
Authors: Morgunova, E. / Illarionov, B. / Sambaiah, T. / Haase, I. / Bacher, A. / Cushman, M. / Fischer, M. / Ladenstein, R.

History

Deposition	Dec 9, 2005	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Dec 13, 2006	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.2	Jun 20, 2018	Group: Data collection / Database references / Structure summary Category: citation / struct / Item: _citation.page_last / _struct.title
Revision 1.3	Dec 13, 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_ncs_dom_lim / 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_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_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_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.pdbx_dist_value / _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_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_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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Validation report

Summary document	2c9b_validation.pdf.gz	3.1 MB	Display	wwPDB validaton report
Full document	2c9b_full_validation.pdf.gz	3.1 MB	Display
Data in XML	2c9b_validation.xml.gz	57.8 KB	Display
Data in CIF	2c9b_validation.cif.gz	78.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/c9/2c9b ftp://data.pdbj.org/pub/pdb/validation_reports/c9/2c9b	HTTPS FTP

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Related structure data

Related structure data	2c92C 2c94C 2c97C 2c9dC 1w19S 1w29 S: Starting model for refinement C: citing same article (ref.)
Similar structure data	2vi5-1 1w29-d 2vi5-2 1w19-d 2c9d-1 2c92-d 2c94-d 2c9d-2 4j07-d 2c97-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

Deposited unit

A: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

B: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

C: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

D: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

E: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

F: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

G: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

H: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

I: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

J: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

hetero molecules

169 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

B: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

C: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

D: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

E: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

hetero molecules

defined by author&software
84.4 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

F: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

G: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

H: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

I: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

J: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

hetero molecules

defined by author&software
84.3 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	78.045, 78.364, 88.843
Angle α, β, γ (deg.)	64.39, 64.69, 65.03
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
1	2	F
2	2	G
3	2	H
4	2	I
5	2	J

NCS domain segments:

Component-ID: 1 / Beg auth comp-ID: ALA / Beg label comp-ID: ALA / End auth comp-ID: PO4 / End label comp-ID: PO4 / Refine code: 2 / Label seq-ID: 15

Dom-ID	Ens-ID	Auth asym-ID	Label asym-ID	Auth seq-ID
1	1	A	A - N	15 - 1163
2	1	B	B - Q	15 - 1162
3	1	C	C - U	15 - 1163
4	1	D	D - Z	15 - 1163
5	1	E	E - DA	15 - 1163
1	2	F	F - GA	15 - 1162
2	2	G	G - KA	15 - 1163
3	2	H	H - NA	15 - 1162
4	2	I	I - QA	15 - 1162
5	2	J	J - TA	15 - 1162

NCS ensembles :

ID
1
2

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Protein , 1 types, 10 molecules ABCDEFGHIJ

#1: Protein	6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE / DMRL SYNTHASE / LUMAZINE SYNTHASE / RIBOFLAVIN SYNTHASE BETA CHAIN Mass: 16387.559 Da / Num. of mol.: 10 Source method: isolated from a genetically manipulated source Source: (gene. exp.) MYCOBACTERIUM TUBERCULOSIS (bacteria) / Plasmid: PNCO-MT-LS / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): XL1-BLUE References: UniProt: P66034, UniProt: P9WHE9*PLUS, riboflavin synthase

#1: Protein

6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE / DMRL SYNTHASE / LUMAZINE SYNTHASE / RIBOFLAVIN SYNTHASE BETA CHAIN

Mass: 16387.559 Da / Num. of mol.: 10
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

MYCOBACTERIUM TUBERCULOSIS (bacteria) / Plasmid: PNCO-MT-LS / Production host:

ESCHERICHIA COLI (E. coli) / Strain (production host): XL1-BLUE
References: UniProt: P66034, UniProt: P9WHE9*PLUS, riboflavin synthase

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Non-polymers , 5 types, 691 molecules

#2: Chemical	ChemComp-PUG / 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) Mass: 302.241 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C₁₀H₁₄N₄O₇
#3: Chemical	ChemComp-K / POTASSIUM ION Mass: 39.098 Da / Num. of mol.: 15 / Source method: obtained synthetically / Formula: K
#4: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: PO₄
#5: Chemical	ChemComp-MPD / (4S)-2-METHYL-2,4-PENTANEDIOL Mass: 118.174 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₆H₁₄O₂ / Comment: precipitant*YM
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 654 / 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: 2.36 Å³/Da / Density % sol: 50 %
Crystal grow	pH: 6.4 / Details: pH 6.40

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Data collection

Diffraction	Mean temperature: 105 K
Diffraction source	Source: ROTATING ANODE / Type: ROTATING ANODE / Wavelength: 1.5418
Detector	Type: MARRESEACH / Detector: IMAGE PLATE / Date: May 20, 2005 / Details: MIRRORS
Radiation	Monochromator: OSMIC FOCUSING MIRROR SYSTEM / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.5418 Å / Relative weight: 1
Reflection	Resolution: 2.65→15 Å / Num. obs: 59532 / % possible obs: 89.1 % / Observed criterion σ(I): 1 / Redundancy: 2.5 % / R_merge(I) obs: 0.15 / Net I/σ(I): 4.4
Reflection shell	Resolution: 2.65→2.71 Å / Redundancy: 1.5 % / R_merge(I) obs: 0.48 / Mean I/σ(I) obs: 1.25 / % possible all: 85.7

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0005	refinement
DENZO		data reduction
SCALEPACK		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1W19

1w19

Resolution: 2.75→10 Å / Cor.coef. F_o:F_c: 0.878 / Cor.coef. F_o:F_c free: 0.798 / SU B: 37.743 / SU ML: 0.416 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R Free: 0.536 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES 1-13 ARE DISORDERED

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.324	1897	5.1 %	RANDOM
R_work	0.25	-	-	-
obs	0.254	35562	89.5 %	-

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: 32.84 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.74 Å²	-1.17 Å²	-0.08 Å²
2-	-	-0.1 Å²	1.23 Å²
3-	-	-	-0.65 Å²

Refinement step

Cycle: LAST / Resolution: 2.75→10 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10598	0	291	654	11543

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.007	0.021	10992
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.168	1.992	15046
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.16	5	1456
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	33.744	23.842	406
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.492	15	1656
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	15.329	15	90
X-RAY DIFFRACTION	r_chiral_restr	0.063	0.2	1888
X-RAY DIFFRACTION	r_gen_planes_refined	0.002	0.02	8118
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.185	0.2	4793
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.285	0.2	7413
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.125	0.2	479
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	0.174	0.2	41
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.142	0.2	16
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	0.01	1.5	7260
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.021	2	11618
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	0.048	3	3792
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	0.066	4.5	3428
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	584	tight positional	0.17	0.05
1	2	B	584	tight positional	0.16	0.05
1	3	C	584	tight positional	0.2	0.05
1	4	D	584	tight positional	0.17	0.05
1	5	E	584	tight positional	0.21	0.05
2	1	F	584	tight positional	0.16	0.05
2	2	G	584	tight positional	0.17	0.05
2	3	H	584	tight positional	0.24	0.05
2	4	I	584	tight positional	0.19	0.05
2	5	J	584	tight positional	0.2	0.05
1	1	A	499	medium positional	0.5	0.5
1	2	B	499	medium positional	0.47	0.5
1	3	C	499	medium positional	0.46	0.5
1	4	D	499	medium positional	0.47	0.5
1	5	E	499	medium positional	0.49	0.5
2	1	F	498	medium positional	0.51	0.5
2	2	G	498	medium positional	0.53	0.5
2	3	H	498	medium positional	0.5	0.5
2	4	I	498	medium positional	0.51	0.5
2	5	J	498	medium positional	0.5	0.5
1	1	A	584	tight thermal	0.01	0.5
1	2	B	584	tight thermal	0.01	0.5
1	3	C	584	tight thermal	0.01	0.5
1	4	D	584	tight thermal	0.01	0.5
1	5	E	584	tight thermal	0.01	0.5
2	1	F	584	tight thermal	0.01	0.5
2	2	G	584	tight thermal	0.01	0.5
2	3	H	584	tight thermal	0	0.5
2	4	I	584	tight thermal	0.01	0.5
2	5	J	584	tight thermal	0.01	0.5
1	1	A	499	medium thermal	0.03	2
1	2	B	499	medium thermal	0.04	2
1	3	C	499	medium thermal	0.05	2
1	4	D	499	medium thermal	0.04	2
1	5	E	499	medium thermal	0.04	2
2	1	F	498	medium thermal	0.04	2
2	2	G	498	medium thermal	0.04	2
2	3	H	498	medium thermal	0.05	2
2	4	I	498	medium thermal	0.04	2
2	5	J	498	medium thermal	0.04	2

LS refinement shell

Resolution: 2.75→2.82 Å / Total num. of bins used: 20 /

	R_factor	Num. reflection
R_free	0.428	121
R_work	0.433	2443

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	2.4783	0.1387	-1.7188	3.4293	-0.3638	1.7378	-0.0804	0.2767	-0.1797	-0.4023	0.0902	0.3129	0.4728	-0.472	-0.0097	0.006	-0.0809	-0.0219	-0.0983	-0.0355	-0.0581	-13.6354	-10.0297	11.0447
2	3.9719	0.4442	-1.185	3.0185	-0.2805	1.9703	0.0023	0.535	0.0967	-0.2288	0.0729	0.4129	0.1388	-0.4474	-0.0751	-0.1633	-0.0225	-0.0338	-0.0705	0.0357	-0.0362	-15.553	13.3211	3.8499
3	3.0518	-0.5794	-0.1407	2.9212	0.5923	1.702	-0.0153	0.541	0.2011	-0.4627	0.0644	0.217	-0.1054	-0.0337	-0.049	-0.0498	-0.0254	-0.01	-0.0062	0.0806	-0.132	4.1982	18.264	-8.9105
4	2.029	-0.3089	-0.1211	1.5103	-0.8775	3.0717	-0.0819	0.5984	-0.2604	-0.3267	0.159	-0.1779	0.4087	0.1833	-0.0772	0.0118	0.024	0.0866	0.0372	-0.0927	-0.059	18.1807	-1.8262	-9.6041
5	4.2893	0.3713	0.2502	3.3134	0.2158	3.8288	-0.0535	0.4614	-0.6401	-0.3762	0.0144	0.01	0.5576	0.0037	0.039	0.1059	0.003	0.0754	-0.143	-0.0974	0.0375	7.3264	-19.4159	2.7347
6	2.8632	0.0454	-0.1646	3.6339	-0.1385	2.0673	0.1072	-0.4638	0.2104	0.5607	-0.1211	0.1519	-0.1241	-0.0361	0.0139	-0.0247	-0.0504	0.0951	-0.0557	-0.027	-0.0925	-0.9355	15.1721	40.0473
7	1.7108	-0.4288	-1.2495	2.4725	0.0053	2.3702	0.1208	-0.4937	-0.1857	0.3834	-0.0803	-0.133	0.316	0.2912	-0.0405	0.0172	0.0057	-0.0359	-0.0089	0.0903	-0.073	11.1863	-6.0036	40.7039
8	3.4701	0.1718	0.3531	3.0624	-1.159	2.333	-0.0262	-0.4816	-0.348	0.3773	-0.1442	-0.6523	0.1324	0.4767	0.1704	-0.1117	0.0682	-0.0411	0.1518	0.1071	0.0056	31.7403	-3.6392	28.4742
9	4.1301	-0.3241	-0.6147	2.31	-0.0371	2.9543	0.0415	-0.4066	0.3639	0.1968	-0.0436	-0.3299	-0.1246	0.4797	0.0021	-0.1433	-0.0163	-0.0389	0.0093	0.0029	-0.0679	32.1447	19.2944	20.0917
10	3.3108	0.1055	-1.0385	3.7964	-0.8605	1.9396	0.0942	-0.3328	0.5284	0.4178	-0.1472	-0.0049	-0.4804	0.3464	0.053	-0.0842	-0.0652	0.0084	-0.0843	-0.0567	-0.0574	11.8778	31.0123	27.2967

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	15 - 160
2	X-RAY DIFFRACTION	1	A	701
3	X-RAY DIFFRACTION	1	A	1163
4	X-RAY DIFFRACTION	2	B	15 - 160
5	X-RAY DIFFRACTION	2	B	701
6	X-RAY DIFFRACTION	2	B	1162
7	X-RAY DIFFRACTION	3	C	15 - 160
8	X-RAY DIFFRACTION	3	C	701
9	X-RAY DIFFRACTION	3	C	1163
10	X-RAY DIFFRACTION	4	D	15 - 160
11	X-RAY DIFFRACTION	4	D	701
12	X-RAY DIFFRACTION	4	D	1163
13	X-RAY DIFFRACTION	5	E	15 - 160
14	X-RAY DIFFRACTION	5	E	701
15	X-RAY DIFFRACTION	5	E	1163
16	X-RAY DIFFRACTION	6	F	15 - 160
17	X-RAY DIFFRACTION	6	F	701
18	X-RAY DIFFRACTION	6	F	1162
19	X-RAY DIFFRACTION	7	G	15 - 160
20	X-RAY DIFFRACTION	7	G	701
21	X-RAY DIFFRACTION	7	G	1163
22	X-RAY DIFFRACTION	8	H	15 - 160
23	X-RAY DIFFRACTION	8	H	701
24	X-RAY DIFFRACTION	8	H	1162
25	X-RAY DIFFRACTION	9	I	15 - 160
26	X-RAY DIFFRACTION	9	I	701
27	X-RAY DIFFRACTION	9	I	1162
28	X-RAY DIFFRACTION	10	J	15 - 160
29	X-RAY DIFFRACTION	10	J	701
30	X-RAY DIFFRACTION	10	J	1162

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