PDB-2v8v: Crystal structure of mutant R322A of beta-alanine synthase from S...

ID or keywords:

Entry

Database: PDB / ID: 2v8v

Title

Crystal structure of mutant R322A of beta-alanine synthase from Saccharomyces kluyveri

Components

BETA-ALANINE SYNTHASE

Beta-ureidopropionase

Keywords

HYDROLASE / DI-ZINC CENTER /

AMIDOHYDROLASE / ALPHA AND BETA PROTEIN

Function / homology

Function and homology information

beta-ureidopropionase activity /

beta-ureidopropionase / hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amidines /

metal ion binding
Similarity search - Function

Biological species

SACCHAROMYCES KLUYVERI (fungus)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.9 Å

Authors

Lundgren, S. / Andersen, B. / Piskur, J. / Dobritzsch, D.

Citation

Journal: J.Biol.Chem. / Year: 2007
Title: Crystal Structures of Yeast -Alanine Synthase Complexes Reveal the Mode of Substrate Binding and Large Scale Domain Closure Movements.
Authors: Lundgren, S. / Andersen, B. / Piskur, J. / Dobritzsch, D.

History

Deposition	Aug 15, 2007	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Oct 2, 2007	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Refinement description / Version format compliance
Revision 1.2	Jan 30, 2019	Group: Data collection / Experimental preparation / Other Category: exptl_crystal_grow / pdbx_database_proc / pdbx_database_status Item: _exptl_crystal_grow.method / _pdbx_database_status.recvd_author_approval
Revision 1.3	Feb 6, 2019	Group: Data collection / Experimental preparation / Category: exptl_crystal_grow / Item: _exptl_crystal_grow.temp
Revision 1.4	Dec 13, 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 / pdbx_database_status / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_conn_type Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _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

Remark 700

SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ...

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2v8v.cif.gz	330.7 KB	Display	PDBx/mmCIF format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/v8/2v8v ftp://data.pdbj.org/pub/pdb/validation_reports/v8/2v8v	HTTPS FTP

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Related structure data

Related structure data	2v8dC 2v8gC 2v8hC 1r43S 1r3n S: Starting model for refinement C: citing same article (ref.)
Similar structure data	1r3n-3 1z2l-d 6c0d-1 1r43-d 2imo-d 1r3n-2 5tp4-d 4wjb-2 1dzh-d 1oyh-d 3rza-d 4wjb-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) 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	#110 - Feb 2009 Auxin and TIR1 Ubiquitin Ligase similarity (5) #92 - Aug 2007 Anabolic Steroids similarity (1) #127 - Jul 2010 Crystallins similarity (1) #174 - Jun 2014 GFP-like Proteins similarity (1) #89 - May 2007 Aconitase and Iron Regulatory Protein 1 similarity (1)

Deposited unit

A: BETA-ALANINE SYNTHASE

B: BETA-ALANINE SYNTHASE

C: BETA-ALANINE SYNTHASE

D: BETA-ALANINE SYNTHASE

hetero molecules

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

1

A: BETA-ALANINE SYNTHASE

B: BETA-ALANINE SYNTHASE

hetero molecules

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

2

C: BETA-ALANINE SYNTHASE

D: BETA-ALANINE SYNTHASE

hetero molecules

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

Unit cell

Length a, b, c (Å)	77.478, 84.903, 104.848
Angle α, β, γ (deg.)	67.45, 67.81, 62.75
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
1	2	A
2	2	D
1	3	B
2	3	C

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Refine code	Auth asym-ID	Auth seq-ID
1	1	1	2	A	26 - 259
2	1	1	2	B	26 - 259
3	1	1	2	C	26 - 259
4	1	1	2	D	26 - 259
1	2	1	2	A	273 - 303
2	2	1	2	B	273 - 303
3	2	1	2	C	273 - 303
4	2	1	2	D	273 - 303
1	3	1	2	A	313 - 452
2	3	1	2	B	313 - 452
3	3	1	2	C	313 - 452
4	3	1	2	D	313 - 452
1	1	2	2	A	22 - 25
2	1	2	2	D	22 - 25
1	2	2	2	A	260 - 272
2	2	2	2	D	260 - 272
1	3	2	2	A	304 - 312
2	3	2	2	D	304 - 312
1	4	2	2	A	453
2	4	2	2	D	453
1	1	3	2	B	22 - 25
2	1	3	2	C	22 - 25
1	2	3	4	B	260 - 272
2	2	3	4	C	260 - 272
1	3	3	4	B	304 - 312
2	3	3	4	C	304 - 312
1	4	3	4	B	453
2	4	3	4	C	453

NCS ensembles :

ID
1
2
3

NCS oper:

ID	Code	Matrix	Vector
1	given	(0.236, 0.241, -0.941), (0.255, -0.95, -0.179), (-0.938, -0.198, -0.286)	-21.83398, -43.52464, -39.02735
2	given	(0.236, 0.241, -0.941), (0.255, -0.95, -0.179), (-0.938, -0.198, -0.286)	-21.83398, -43.52464, -39.02735
3	given	(0.238, 0.27, -0.933), (0.275, -0.94, -0.202), (-0.932, -0.208, -0.298)	-20.52694, -43.94784, -39.76049
4	given	(0.254, -0.259, 0.932), (-0.244, -0.949, -0.198), (0.936, -0.178, -0.304)	-34.51677, 42.11063, 59.23705
5	given	(0.255, -0.284, 0.924), (-0.279, -0.937, -0.211), (0.926, -0.204, -0.318)	-34.16972, 40.84229, 59.2235
6	given	(0.254, -0.259, 0.932), (-0.244, -0.949, -0.198), (0.936, -0.178, -0.304)	-34.51677, 42.11063, 59.23705

#1: Protein	BETA-ALANINE SYNTHASE / Beta-ureidopropionase Mass: 51920.691 Da / Num. of mol.: 4 / Fragment: RESIDUES 2-455 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) SACCHAROMYCES KLUYVERI (fungus) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 DE3 / References: UniProt: Q96W94, beta-ureidopropionase
#2: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Zn
#3: Chemical	ChemComp-URP / N-(AMINOCARBONYL)-BETA-ALANINE / N-CARBAMYL-BETA-ALANINE / BETA-UREIDOPROPIONATE / 3-Ureidopropionic acid Mass: 132.118 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₄H₈N₂O₃
#4: Chemical	ChemComp-DTT / 2,3-DIHYDROXY-1,4-DITHIOBUTANE / 1,4-DITHIOTHREITOL / Dithiothreitol Mass: 154.251 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₁₀O₂S₂
#5: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Formula: H₂O
Compound details	ENGINEERED RESIDUE IN CHAIN A, ARG 322 TO ALA ENGINEERED RESIDUE IN CHAIN B, ARG 322 TO ALA ...ENGINEERED RESIDUE IN CHAIN A, ARG 322 TO ALA ENGINEERED RESIDUE IN CHAIN B, ARG 322 TO ALA ENGINEERED RESIDUE IN CHAIN C, ARG 322 TO ALA ENGINEERED RESIDUE IN CHAIN D, ARG 322 TO ALA
Nonpolymer details	1,4-DITHIOTHREITOL (DTT): C 503 IS CONNECTED BY A DISULFIDE BRIDGE TO CYS 168 IN CHAIN C
Sequence details	THE N-TERMINAL METHIONINE IS ABSENT, MOST LIKELY DUE TO POSTTRANSLATIONAL MODIFICATION, THE LAST 20 ...THE N-TERMINAL METHIONINE IS ABSENT, MOST LIKELY DUE TO POSTTRANSLATIONAL MODIFICATION, THE LAST 20 AMINO ACIDS CORRESPOND TO THE C-TERMINAL HIS-TAG, R322 OF THE DEPOSITED SEQUENCE IS REPLACED BY ALANINE IN THIS MUTANT

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.57 Å³/Da / Density % sol: 52 % / Description: NONE
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: TRISODIUM CITRATE PH 6.0, DIOXANE,ACETONE, DTT, NA-HEPES PH 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-2 / Wavelength: 0.874
Detector	Type: MARRESEARCH / Detector: CCD / Date: Oct 19, 2005
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.874 Å / Relative weight: 1
Reflection	Resolution: 2.9→45 Å / Num. obs: 44094 / % possible obs: 95.2 % / Observed criterion σ(I): 2 / Redundancy: 2.1 % / B_iso Wilson estimate: 46.5 Å² / R_merge(I) obs: 0.12 / Net I/σ(I): 7
Reflection shell	Resolution: 2.9→3.06 Å / Redundancy: 2.1 % / R_merge(I) obs: 0.42 / Mean I/σ(I) obs: 2.2 / % possible all: 96.6

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
SCALA		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1R43

1r43

Resolution: 2.9→45 Å / Cor.coef. F_o:F_c: 0.918 / Cor.coef. F_o:F_c free: 0.871 / SU B: 27.409 / SU ML: 0.317 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R Free: 0.42 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.246	2231	5.1 %	RANDOM
R_work	0.194	-	-	-
obs	0.196	41837	93.5 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 35.85 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.74 Å²	1.19 Å²	0.45 Å²
2-	-	-1.14 Å²	-2.44 Å²
3-	-	-	2.33 Å²

Refinement step

Cycle: LAST / Resolution: 2.9→45 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13355	0	43	4	13402

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.011	0.022	13736
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.368	1.943	18583
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.826	5	1730
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	41.859	24.614	635
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	19.344	15	2210
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	19.645	15	65
X-RAY DIFFRACTION	r_chiral_restr	0.095	0.2	2015
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.02	10560
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.214	0.2	6006
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.308	0.2	9413
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.153	0.2	329
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	0.23	0.2	69
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.062	0.2	4
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	0.319	1.5	8751
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.558	2	13754
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	1.043	3	5630
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	1.701	4.5	4828
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	1619	tight positional	0.05	0.05
1	2	B	1619	tight positional	0.05	0.05
1	3	C	1619	tight positional	0.06	0.05
1	4	D	1619	tight positional	0.06	0.05
2	1	A	108	tight positional	0.04	0.05
3	1	B	12	tight positional	0.02	0.05
1	1	A	1495	medium positional	0.33	0.5
1	2	B	1495	medium positional	0.35	0.5
1	3	C	1495	medium positional	0.35	0.5
1	4	D	1495	medium positional	0.33	0.5
2	1	A	102	medium positional	0.38	0.5
3	1	B	190	medium positional	0.27	0.5
1	1	A	1619	tight thermal	0.06	0.5
1	2	B	1619	tight thermal	0.06	0.5
1	3	C	1619	tight thermal	0.06	0.5
1	4	D	1619	tight thermal	0.06	0.5
2	1	A	108	tight thermal	0.05	0.5
3	1	B	12	tight thermal	0.02	0.5
1	1	A	1495	medium thermal	0.47	2
1	2	B	1495	medium thermal	0.45	2
1	3	C	1495	medium thermal	0.44	2
1	4	D	1495	medium thermal	0.45	2
2	1	A	102	medium thermal	0.35	2
3	1	B	190	medium thermal	0.34	2

LS refinement shell

Resolution: 2.9→2.98 Å / Total num. of bins used: 20 /

	R_factor	Num. reflection
R_free	0.323	134
R_work	0.288	2457

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	15.1958	15.1956	-11.1198	29.3554	-13.7363	8.6207	-0.518	0.2975	-0.2951	0.3777	0.8614	-1.1049	-0.3583	-0.3329	-0.3434	-0.1085	-0.0599	-0.0663	0.1542	-0.0445	-0.3021	17.2648	7.7231	14.6368
2	0.5059	-0.0344	0.1547	0.2708	0.7043	1.9507	-0.0151	-0.0588	0.0138	0.0231	-0.0624	0.201	-0.0528	-0.1812	0.0775	-0.0991	0.0293	-0.0056	-0.1498	0.0469	-0.0674	-5.0476	2.6156	1.9874
3	0.4619	0.4384	1.0191	1.1307	1.7527	3.8083	-0.091	0.169	0.0527	-0.2597	0.0913	-0.0138	-0.2904	0.1933	-0.0003	-0.1363	-0.0367	-0.0031	-0.1608	0.0473	-0.0698	6.1469	0.2446	-7.2098
4	3.1438	-0.5173	0.4814	3.5543	-0.061	2.6475	-0.1925	-0.2016	0.033	0.1406	0.2174	0.2576	-0.026	-0.442	-0.0249	-0.1075	0.0421	-0.088	0.0388	0.0206	0.0143	-31.2117	-49.233	-38.3758
5	1.8391	1.44	1.6775	2.4112	2.2415	3.1645	-0.0691	0.0815	0.045	-0.1547	0.0622	0.04	-0.1208	-0.0441	0.007	-0.0861	0.0234	-0.0428	-0.1169	0.0307	-0.0514	-7.7349	-31.6582	-33.1379
6	3.8788	1.8513	1.9701	2.368	1.417	1.7675	-0.1519	0.2963	-0.0832	-0.285	0.1545	-0.0631	-0.1096	0.0759	-0.0026	-0.0081	0.0594	-0.0084	-0.1039	-0.0008	-0.051	-11.4239	-39.4347	-42.1355
7	10.2095	5.354	-5.815	40.8469	-6.4058	26.5442	-0.2915	1.8951	-1.3618	-1.2974	0.6737	-1.9159	1.8215	-0.0357	-0.3822	0.0308	-0.032	0.0447	0.112	-0.3096	0.0266	-19.5739	-60.5329	-57.288
8	2.9033	0.4863	-0.2479	3.8386	0.1433	2.9705	-0.1928	0.2344	-0.0989	-0.0801	0.2371	0.347	0.0691	-0.3693	-0.0443	-0.1347	-0.0451	0.0718	0.0521	0.0305	-0.0251	-69.6054	54.0567	24.9937
9	1.1187	-1.3754	-0.9689	2.081	1.6941	1.7979	-0.011	-0.0166	0.108	0.1075	0.0628	-0.1282	0.1391	-0.1498	-0.0518	-0.1063	-0.0405	0.0433	-0.0537	-0.0028	-0.0787	-46.5781	39.7464	19.3592
10	2.1824	-1.9337	-1.6317	3.4098	2.4185	2.3392	-0.0495	-0.2587	0.1891	0.1004	0.1302	-0.164	-0.0492	0.1629	-0.0807	-0.0852	-0.0664	-0.0202	-0.1156	0.0391	-0.0511	-44.8223	42.1235	22.7659
11	3.4189	1.2785	-0.3806	9.6604	3.7681	5.8217	-0.1369	-0.4553	-0.1901	1.0002	0.1935	0.0436	0.4178	0.1275	-0.0566	-0.0463	0.0787	0.0513	0.0133	0.0129	-0.1022	-63.0934	50.007	38.1961
12	13.5813	-3.4497	-3.1886	6.2055	3.8282	2.458	0.625	-0.248	0.5868	0.6911	-0.5237	-0.2819	-0.111	1.3098	-0.1014	-0.0086	0.0548	-0.142	0.0681	-0.1168	0.066	-19.7855	-6.1303	-25.4929
13	0.6023	0.0367	-0.0445	0.3934	0.7751	1.8007	0.0425	0.049	-0.0586	-0.02	-0.0539	0.1871	0.0611	-0.2232	0.0114	-0.1059	-0.0251	0.0154	-0.1295	0.0602	-0.0884	-43.8477	2.4151	-15.8138
14	0.2433	-0.2596	-0.8786	0.8802	1.1673	3.2938	-0.076	-0.1671	0.0092	0.2181	0.0626	-0.1019	0.2018	0.1667	0.0133	-0.147	0.0365	0.0103	-0.1272	0.04	-0.1022	-32.6195	5.2067	-6.2909

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	20 - 34
2	X-RAY DIFFRACTION	2	A	130 - 262
3	X-RAY DIFFRACTION	3	A	318 - 454
4	X-RAY DIFFRACTION	4	B	23 - 218
5	X-RAY DIFFRACTION	5	B	219 - 274
6	X-RAY DIFFRACTION	6	B	319 - 444
7	X-RAY DIFFRACTION	7	B	445 - 453
8	X-RAY DIFFRACTION	8	C	23 - 212
9	X-RAY DIFFRACTION	9	C	213 - 278
10	X-RAY DIFFRACTION	10	C	298 - 419
11	X-RAY DIFFRACTION	11	C	420 - 453
12	X-RAY DIFFRACTION	12	D	19 - 31
13	X-RAY DIFFRACTION	13	D	130 - 261
14	X-RAY DIFFRACTION	14	D	318 - 453

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