PDB-8oll: Staphylococcus aureus ClpP in complex with the natural product be...

ID or keywords:

Entry

Database: PDB / ID: 8oll

Title

Staphylococcus aureus ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.7 A resolution

Components

ATP-dependent Clp protease proteolytic subunit

Keywords

HYDROLASE / anti-virulence /

caseinolytic protease /

inhibitor /

natural product / mode of action

Function / homology

Function and homology information

endopeptidase Clp / ATP-dependent peptidase activity / serine-type endopeptidase activity /

proteolysis /

cytoplasm
Similarity search - Function

Biological species

Staphylococcus aureus (bacteria)
synthetic construct (others)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.7 Å

Authors

Illigmann, A. / Vielberg, M.-T. / Lakemeyer, M. / Wolf, F. / Staudt, N. / Dema, T. / Stange, P. / Malik, I. / Grond, S. / Sieber, S.A. ...

Funding support

Germany, 1items

Citation

Journal: Angew.Chem.Int.Ed.Engl. / Year: 2024
Title: Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A.
Authors: Illigmann, A. / Vielberg, M.T. / Lakemeyer, M. / Wolf, F. / Dema, T. / Stange, P. / Kuttenlochner, W. / Liebhart, E. / Kulik, A. / Staudt, N.D. / Malik, I. / Grond, S. / Sieber, S.A. / ...

History

Deposition	Mar 30, 2023	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Dec 6, 2023	Provider: repository / Type: Initial release
Revision 1.1	Jan 17, 2024	Group: Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title / _citation.year / _citation_author.name
Revision 1.2	Jan 24, 2024	Group: Database references / Category: citation / citation_author Item: _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	8oll.cif.gz	1.9 MB	Display	PDBx/mmCIF format
PDB format	pdb8oll.ent.gz	1.6 MB	Display	PDB format
PDBx/mmJSON format	8oll.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ol/8oll ftp://data.pdbj.org/pub/pdb/validation_reports/ol/8oll	HTTPS FTP

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Related structure data

Related structure data	8olrC 8r03C 8r04C 8r05C C: citing same article (ref.)
Similar structure data	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: ATP-dependent Clp protease proteolytic subunit

B: ATP-dependent Clp protease proteolytic subunit

C: ATP-dependent Clp protease proteolytic subunit

D: ATP-dependent Clp protease proteolytic subunit

E: ATP-dependent Clp protease proteolytic subunit

F: ATP-dependent Clp protease proteolytic subunit

G: ATP-dependent Clp protease proteolytic subunit

H: ATP-dependent Clp protease proteolytic subunit

I: ATP-dependent Clp protease proteolytic subunit

J: ATP-dependent Clp protease proteolytic subunit

K: ATP-dependent Clp protease proteolytic subunit

L: ATP-dependent Clp protease proteolytic subunit

M: ATP-dependent Clp protease proteolytic subunit

N: ATP-dependent Clp protease proteolytic subunit

O: ATP-dependent Clp protease proteolytic subunit

P: ATP-dependent Clp protease proteolytic subunit

Q: ATP-dependent Clp protease proteolytic subunit

R: ATP-dependent Clp protease proteolytic subunit

S: ATP-dependent Clp protease proteolytic subunit

T: ATP-dependent Clp protease proteolytic subunit

U: ATP-dependent Clp protease proteolytic subunit

V: ATP-dependent Clp protease proteolytic subunit

W: ATP-dependent Clp protease proteolytic subunit

X: ATP-dependent Clp protease proteolytic subunit

Y: ATP-dependent Clp protease proteolytic subunit

Z: ATP-dependent Clp protease proteolytic subunit

a: ATP-dependent Clp protease proteolytic subunit

b: ATP-dependent Clp protease proteolytic subunit

hetero molecules

643 kDa, 28 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: ATP-dependent Clp protease proteolytic subunit

B: ATP-dependent Clp protease proteolytic subunit

C: ATP-dependent Clp protease proteolytic subunit

D: ATP-dependent Clp protease proteolytic subunit

E: ATP-dependent Clp protease proteolytic subunit

F: ATP-dependent Clp protease proteolytic subunit

G: ATP-dependent Clp protease proteolytic subunit

H: ATP-dependent Clp protease proteolytic subunit

I: ATP-dependent Clp protease proteolytic subunit

J: ATP-dependent Clp protease proteolytic subunit

K: ATP-dependent Clp protease proteolytic subunit

L: ATP-dependent Clp protease proteolytic subunit

M: ATP-dependent Clp protease proteolytic subunit

N: ATP-dependent Clp protease proteolytic subunit

hetero molecules

defined by author&software
Evidence: gel filtration
321 kDa, 14 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

O: ATP-dependent Clp protease proteolytic subunit

P: ATP-dependent Clp protease proteolytic subunit

Q: ATP-dependent Clp protease proteolytic subunit

R: ATP-dependent Clp protease proteolytic subunit

S: ATP-dependent Clp protease proteolytic subunit

T: ATP-dependent Clp protease proteolytic subunit

U: ATP-dependent Clp protease proteolytic subunit

V: ATP-dependent Clp protease proteolytic subunit

W: ATP-dependent Clp protease proteolytic subunit

X: ATP-dependent Clp protease proteolytic subunit

Y: ATP-dependent Clp protease proteolytic subunit

Z: ATP-dependent Clp protease proteolytic subunit

a: ATP-dependent Clp protease proteolytic subunit

b: ATP-dependent Clp protease proteolytic subunit

hetero molecules

defined by author&software
321 kDa, 14 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	96.410, 109.730, 173.610
Angle α, β, γ (deg.)	110.09, 89.44, 108.80
Int Tables number	1
Space group name H-M	P1

#1: Protein	... ATP-dependent Clp protease proteolytic subunit / / Endopeptidase Clp Mass: 22578.680 Da / Num. of mol.: 28 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Staphylococcus aureus (bacteria) / Gene: clpP, SAR0823 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q6GIM3, endopeptidase Clp
#2: Chemical	... ChemComp-VSZ / Cystargolide A (bound) / (2S,3S)-2-[[(2S)-2-[[(2R,3S)-3-methanoyl-4-methyl-2-oxidanyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoic acid Mass: 372.456 Da / Num. of mol.: 28 / Source method: obtained synthetically / Formula: C₁₈H₃₂N₂O₆ / Source: (synth.) synthetic construct (others) / Feature type: SUBJECT OF INVESTIGATION
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 283 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	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: 2.57 Å³/Da / Density % sol: 52.07 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.2 M ammonium citrate, 20% PEG3350 / PH range: 7

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Nov 4, 2017
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.7→30 Å / Num. obs: 157322 / % possible obs: 91 % / Redundancy: 2.2 % / R_merge(I) obs: 0.051 / Net I/σ(I): 10
Reflection shell	Resolution: 2.7→2.8 Å / Redundancy: 2.2 % / R_merge(I) obs: 0.573 / Mean I/σ(I) obs: 1.8 / Num. unique obs: 16383 / % possible all: 91.6

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0158	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.7→30 Å / Cor.coef. F_o:F_c: 0.944 / Cor.coef. F_o:F_c free: 0.923 / SU B: 40.286 / SU ML: 0.348 / Cross valid method: THROUGHOUT / ESU R Free: 0.393 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.25827	7862	5 %	RANDOM
R_work	0.22438	-	-	-
obs	0.23116	149373	91.05 %	-

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: 40.3 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-2.41 Å²	-1.72 Å²	-1.93 Å²
2-	-	-1.84 Å²	3.64 Å²
3-	-	-	2.17 Å²

Refinement step

Cycle: 1 / Resolution: 2.7→30 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	39781	0	728	285	40794

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.008	0.019	41014
X-RAY DIFFRACTION	r_bond_other_d	0.004	0.02	39272
X-RAY DIFFRACTION	r_angle_refined_deg	1.082	1.989	55415
X-RAY DIFFRACTION	r_angle_other_deg	1.227	3.008	91192
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	4.482	5	5102
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	34.244	25.543	1804
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.079	15	7374
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	11.651	15	206
X-RAY DIFFRACTION	r_chiral_restr	0.055	0.2	6543
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.021	45067
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	7355
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	1.134	7.585	20570
X-RAY DIFFRACTION	r_mcbond_other	1.134	7.585	20569
X-RAY DIFFRACTION	r_mcangle_it	1.442	11.358	25618
X-RAY DIFFRACTION	r_mcangle_other	1.442	11.359	25619
X-RAY DIFFRACTION	r_scbond_it	0.962	7.72	20444
X-RAY DIFFRACTION	r_scbond_other	0.962	7.72	20445
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	1.415	11.538	29798
X-RAY DIFFRACTION	r_long_range_B_refined	2.033	7.72	161126
X-RAY DIFFRACTION	r_long_range_B_other	1.972	7.72	161076
X-RAY DIFFRACTION	r_rigid_bond_restr	1.787	3	80286
X-RAY DIFFRACTION	r_sphericity_free	85.296	5	192
X-RAY DIFFRACTION	r_sphericity_bonded	24.18	5	79874

LS refinement shell

Resolution: 2.7→2.77 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.361	584	-
R_work	0.348	11092	-
obs	-	-	91.86 %

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	0.0382	0.0348	0.0237	0.0708	0.012	0.0183	0.0001	0.0041	-0.0005	0.003	-0.0097	-0.0226	-0.0041	-0.0018	0.0096	0.1062	0.0167	0.035	0.1519	-0.0249	0.0486	-6.2036	49.1903	-51.1225
2	0.0026	-0.0036	0.0021	0.109	-0.0245	0.0118	-0.0118	-0.0079	0.0012	0.0224	0.0047	-0.0073	-0.0046	-0.0145	0.0071	0.1059	0.0214	0.0391	0.1537	-0.0348	0.0365	-17.1192	41.4146	-29.0989
3	0.0899	-0.0078	0.0021	0.0923	-0.0073	0.0021	-0.0107	-0.0021	0.0267	0.0346	0.0069	-0.0021	0.009	-0.0047	0.0038	0.1227	0.0226	0.0291	0.1501	-0.0456	0.0345	-6.1727	33.1967	-7.3015
4	0.0108	0.0164	-0.0109	0.042	-0.0234	0.0141	-0.0013	-0.0052	0.0053	0.0192	-0.0012	-0.0103	-0.0037	-0.0028	0.0026	0.1291	0.023	0.0141	0.1409	-0.0496	0.0449	19.2631	30.168	-1.8306
5	0.0273	-0.0178	0.0394	0.0745	-0.0049	0.0758	-0.0123	0.0001	0.015	0.0181	0.0079	-0.0109	-0.0049	-0.0073	0.0045	0.1157	0.0184	0.0162	0.1441	-0.0326	0.0665	41.2064	33.4578	-17.6419
6	0.0148	-0.003	0.002	0.0123	-0.0165	0.0313	-0.0075	0.002	0.0052	0.0086	-0.0029	-0.0189	-0.0073	0.0018	0.0104	0.105	0.016	0.0253	0.1497	-0.0236	0.0787	40.2673	42.7838	-42.96
7	0.0727	-0.0141	0.0299	0.0285	-0.021	0.0438	-0.0094	0.0077	0.0206	0.0081	-0.0104	-0.0274	-0.0008	0.0098	0.0198	0.1044	0.02	0.0394	0.1544	-0.0226	0.0621	18.9239	49.625	-57.5925
8	0.0766	0.0218	0.0192	0.046	0.0455	0.0479	-0.0081	0.0035	-0.0003	-0.0035	0.0067	-0.0083	-0.005	0.0022	0.0014	0.1175	0.0187	0.0282	0.1464	-0.0324	0.0459	36.3724	-11.4253	-31.0794
9	0.0898	-0.0473	-0.0329	0.0287	0.0124	0.025	-0.0023	0.0002	0.0027	0.0058	0.0103	-0.0029	0.0062	-0.0043	-0.008	0.1214	0.0163	0.028	0.1468	-0.0365	0.0353	14.7702	-15.0742	-17.1346
10	0.0901	-0.0316	0.0449	0.0119	-0.0159	0.0234	-0.0034	0.0049	0.0002	-0	-0.0006	-0.0031	0.0023	-0.0082	0.004	0.1148	0.0163	0.0456	0.1523	-0.0324	0.0343	-10.0568	-11.4479	-24.9129
11	0.0019	0.0013	-0.0069	0.1554	-0.0484	0.0392	0.003	0.0038	0.0015	-0.0085	0.0025	0.0131	0.0037	-0.0047	-0.0055	0.111	0.0142	0.0301	0.153	-0.0316	0.0366	-19.599	-2.8742	-47.8401
12	0.0232	0.0007	0.0017	0.1186	0.0394	0.0141	0.0046	0.0196	-0.008	-0.0142	-0.0077	0.0002	0.0055	0.001	0.0031	0.1169	0.0168	0.036	0.1545	-0.0383	0.0243	-6.35	4.3242	-69.1869
13	0.0205	-0.0122	0.0144	0.1155	-0.0302	0.0451	0.0167	0.0214	0.007	0.0001	-0.0093	0.0007	0.022	0.007	-0.0074	0.1072	0.0222	0.0495	0.1574	-0.0354	0.0426	20.1183	4.7752	-72.695
14	0.0753	0.0185	-0.0157	0.0186	0.0085	0.0171	-0.0078	0.0092	0.0015	-0.0068	0.0072	-0.0073	-0.0031	0.0044	0.0007	0.1083	0.0193	0.0391	0.1483	-0.0323	0.0503	39.0827	-2.5008	-55.5344
15	0.0136	-0.0229	0.025	0.0398	-0.0449	0.0521	0.0122	0.0054	0.0022	-0.0078	-0.0165	-0.0005	0.0076	0.0417	0.0043	0.0921	0.0224	0.0532	0.1773	-0.0227	0.0381	-3.8785	-22.1936	23.3618
16	0.0375	0.0173	0.0281	0.0202	0.0344	0.0616	-0.0023	-0.0036	-0.0083	-0.0119	0.0054	-0.0032	-0.0062	0.0186	-0.0031	0.1135	0.0195	0.0405	0.1524	-0.0306	0.0351	-3.9583	-34.1001	47.1897
17	0.0795	-0.0214	0.0212	0.0064	-0.0056	0.0439	0.0115	-0.0186	-0.0284	-0.0043	0.0134	0.0048	0.0171	-0.0099	-0.0249	0.1098	0.0133	0.034	0.1504	-0.0203	0.0457	-24.1159	-45.6221	59.9648
18	0.0941	-0.0553	-0.0537	0.0522	0.0062	0.0683	0.0154	-0.0048	-0.0151	-0.0303	-0.0034	0.0324	0.0321	-0.0075	-0.012	0.095	-0.0019	0.0263	0.1627	-0.0036	0.0699	-49.6944	-47.9235	52.6944
19	0.0314	-0.0452	0.0251	0.0907	-0.0334	0.0235	0.0108	0.0142	-0.0196	0.0084	0.0137	0.0087	-0	0.0005	-0.0245	0.1071	0.0123	0.0295	0.1501	-0.012	0.0636	-60.8146	-39.6683	29.9128
20	0.0193	-0.0359	-0.0011	0.1464	-0.0059	0.0043	0.002	0.0008	-0.0099	-0.0214	0.0065	0.0182	0.0035	0.0036	-0.0085	0.1135	0.0103	0.0282	0.1504	-0.0273	0.04	-49.525	-26.8146	9.5034
21	0.0504	0.0072	0.0597	0.1793	-0.0157	0.0805	0.0158	-0.0012	0.0033	-0.0135	-0.0052	0.0184	0.0184	0.028	-0.0106	0.1096	0.0144	0.0472	0.1567	-0.0198	0.0291	-24.2952	-18.8865	6.5717
22	0.0594	0.0101	0.0815	0.3617	-0.0544	0.1386	-0.0294	-0.0385	-0.0188	0.0126	0.0392	0.0141	-0.0228	-0.0426	-0.0098	0.0577	0.0229	0.0533	0.1791	-0.0179	0.0587	-71.1163	-0.3433	52.9233
23	0.0102	-0.0177	-0.006	0.0656	0.043	0.0341	-0.0152	-0.0318	-0.0075	0.0021	0.0216	0.0044	-0.0165	-0.0093	-0.0064	0.0896	0.0172	0.0606	0.1843	-0.0129	0.0448	-57.1567	-6.9666	74.4146
24	0.0108	-0.0303	0.0104	0.1385	0.0032	0.0345	-0.0058	-0.0107	-0.001	0.0134	0.0111	0.0062	-0.0087	0.0031	-0.0053	0.1138	0.0169	0.0389	0.1593	-0.0321	0.0226	-31.5453	-3.3007	79.9173
25	0.0233	0.0135	-0.0008	0.0385	-0.034	0.0392	-0.0144	-0.0004	0.0104	0.0067	-0.0031	-0.0053	-0.0007	0.0077	0.0175	0.1186	0.014	0.0269	0.1474	-0.0332	0.0347	-12.7456	8.6194	65.0208
26	0.011	-0.0034	0.0129	0.0016	-0.0057	0.0358	-0.0084	0.0021	0.0068	-0.0015	0.0027	-0.0054	-0.0118	0.0164	0.0057	0.1222	0.0081	0.025	0.1548	-0.0276	0.0485	-15.4017	19.844	40.9475
27	0.0903	0.0366	-0.0035	0.0329	-0.0131	0.0082	-0.0093	0.0086	-0.0012	0.0097	-0	-0.0109	-0.0119	-0.0055	0.0093	0.1284	0.015	0.0269	0.149	-0.0307	0.0272	-37.56	21.8394	26.0036
28	0.0443	-0.0038	0.042	0.1436	0.0443	0.0592	-0.0237	-0.0154	0.0062	-0.0001	0.0028	0.0222	-0.0079	-0.0076	0.021	0.0966	0.0176	0.0332	0.1511	-0.0327	0.038	-62.0894	12.9451	31.4166

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	2 - 193
2	X-RAY DIFFRACTION	2	B	1 - 193
3	X-RAY DIFFRACTION	3	C	2 - 193
4	X-RAY DIFFRACTION	4	D	3 - 193
5	X-RAY DIFFRACTION	5	E	18 - 192
6	X-RAY DIFFRACTION	6	F	4 - 193
7	X-RAY DIFFRACTION	7	G	4 - 193
8	X-RAY DIFFRACTION	8	H	3 - 193
9	X-RAY DIFFRACTION	9	I	2 - 195
10	X-RAY DIFFRACTION	10	J	2 - 193
11	X-RAY DIFFRACTION	11	K	3 - 192
12	X-RAY DIFFRACTION	12	L	3 - 193
13	X-RAY DIFFRACTION	13	M	3 - 192
14	X-RAY DIFFRACTION	14	N	4 - 193
15	X-RAY DIFFRACTION	15	O	4 - 193
16	X-RAY DIFFRACTION	16	P	3 - 193
17	X-RAY DIFFRACTION	17	Q	3 - 193
18	X-RAY DIFFRACTION	18	R	3 - 193
19	X-RAY DIFFRACTION	19	S	4 - 193
20	X-RAY DIFFRACTION	20	T	4 - 193
21	X-RAY DIFFRACTION	21	U	4 - 193
22	X-RAY DIFFRACTION	22	V	4 - 192
23	X-RAY DIFFRACTION	23	W	3 - 193
24	X-RAY DIFFRACTION	24	X	3 - 193
25	X-RAY DIFFRACTION	25	Y	4 - 192
26	X-RAY DIFFRACTION	26	Z	4 - 193
27	X-RAY DIFFRACTION	27	a	4 - 193
28	X-RAY DIFFRACTION	28	b	3 - 192

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