PDB-7ypv: Crystal structure of OrE-ST-F

ID or keywords:

Entry

Database: PDB / ID: 7ypv

Title

Crystal structure of OrE-ST-F

Components

Acetyltransferase

Keywords

TRANSFERASE / acetyltransferase streptothricin F

Function / homology

acyltransferase activity, transferring groups other than amino-acyl groups / Acetyltransferase (GNAT) family / Gcn5-related N-acetyltransferase (GNAT) domain profile. /

GNAT domain / Acyl-CoA N-acyltransferase / Streptothricin F /

Acetyltransferase

Function and homology information

Biological species

Streptomyces lavendulae subsp. lavendulae (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.415 Å

Authors

Wang, Y.L. / Li, T.L.

Funding support

Taiwan, 1items

Citation

Journal: Nat Commun / Year: 2023
Title: N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Authors: Wang, Y.L. / Chang, C.Y. / Hsu, N.S. / Lo, I.W. / Lin, K.H. / Chen, C.L. / Chang, C.F. / Wang, Z.C. / Ogasawara, Y. / Dairi, T. / Maruyama, C. / Hamano, Y. / Li, T.L.

History

Deposition	Aug 4, 2022	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	May 31, 2023	Provider: repository / Type: Initial release
Revision 1.1	Nov 29, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7ypv.cif.gz	294 KB	Display	PDBx/mmCIF format
PDB format	pdb7ypv.ent.gz	229.5 KB	Display	PDB format
PDBx/mmJSON format	7ypv.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/yp/7ypv ftp://data.pdbj.org/pub/pdb/validation_reports/yp/7ypv	HTTPS FTP

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Related structure data

Related structure data	7xqaC 7xx0C 7xxcC 7xxdC 7xxmC 7xxpC 7xxrC 7xyeC 7xylC 7y0xC 7ypuC 8griC 3pp9S S: Starting model for refinement 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
Related items in Molecule of the Month	#146 - Feb 2012 Aminoglycoside Antibiotics similarity (4) #97 - Jan 2008 Circadian Clock Proteins similarity (4)

Deposited unit

A: Acetyltransferase

B: Acetyltransferase

C: Acetyltransferase

D: Acetyltransferase

E: Acetyltransferase

F: Acetyltransferase

G: Acetyltransferase

H: Acetyltransferase

hetero molecules

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

1

A: Acetyltransferase

B: Acetyltransferase

hetero molecules

defined by author&software
Evidence: gel filtration
45.1 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Acetyltransferase

D: Acetyltransferase

hetero molecules

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

3

E: Acetyltransferase

F: Acetyltransferase

hetero molecules

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

4

G: Acetyltransferase

H: Acetyltransferase

hetero molecules

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

Unit cell

Length a, b, c (Å)	48.714, 77.826, 108.990
Angle α, β, γ (deg.)	89.945, 90.043, 89.991
Int Tables number	1
Space group name H-M	P1

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Beg auth comp-ID: THR / Beg label comp-ID: THR

Dom-ID	Component-ID	Ens-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	1	PRO	PRO	A	A	8 - 184	28 - 204
2	2	1	PRO	PRO	B	B	8 - 184	28 - 204
3	3	2	PRO	PRO	A	A	8 - 184	28 - 204
4	4	2	PRO	PRO	C	C	8 - 184	28 - 204
5	5	3	CYS	CYS	A	A	7 - 185	27 - 205
6	6	3	CYS	CYS	D	D	7 - 185	27 - 205
7	7	4	PRO	PRO	A	A	8 - 184	28 - 204
8	8	4	PRO	PRO	E	E	8 - 184	28 - 204
9	9	5	PRO	PRO	A	A	8 - 184	28 - 204
10	10	5	PRO	PRO	F	F	8 - 184	28 - 204
11	11	6	PRO	PRO	A	A	8 - 184	28 - 204
12	12	6	PRO	PRO	G	G	8 - 184	28 - 204
13	13	7	PRO	PRO	A	A	8 - 184	28 - 204
14	14	7	PRO	PRO	H	H	8 - 184	28 - 204
15	15	8	CYS	CYS	B	B	8 - 185	28 - 205
16	16	8	CYS	CYS	C	C	8 - 185	28 - 205
17	17	9	PRO	PRO	B	B	8 - 184	28 - 204
18	18	9	PRO	PRO	D	D	8 - 184	28 - 204
19	19	10	CYS	CYS	B	B	8 - 185	28 - 205
20	20	10	CYS	CYS	E	E	8 - 185	28 - 205
21	21	11	CYS	CYS	B	B	8 - 185	28 - 205
22	22	11	CYS	CYS	F	F	8 - 185	28 - 205
23	23	12	CYS	CYS	B	B	8 - 185	28 - 205
24	24	12	CYS	CYS	G	G	8 - 185	28 - 205
25	25	13	CYS	CYS	B	B	8 - 185	28 - 205
26	26	13	CYS	CYS	H	H	8 - 185	28 - 205
27	27	14	PRO	PRO	C	C	8 - 184	28 - 204
28	28	14	PRO	PRO	D	D	8 - 184	28 - 204
29	29	15	CYS	CYS	C	C	8 - 185	28 - 205
30	30	15	CYS	CYS	E	E	8 - 185	28 - 205
31	31	16	CYS	CYS	C	C	8 - 185	28 - 205
32	32	16	CYS	CYS	F	F	8 - 185	28 - 205
33	33	17	CYS	CYS	C	C	8 - 185	28 - 205
34	34	17	CYS	CYS	G	G	8 - 185	28 - 205
35	35	18	CYS	CYS	C	C	8 - 185	28 - 205
36	36	18	CYS	CYS	H	H	8 - 185	28 - 205
37	37	19	PRO	PRO	D	D	8 - 184	28 - 204
38	38	19	PRO	PRO	E	E	8 - 184	28 - 204
39	39	20	PRO	PRO	D	D	8 - 184	28 - 204
40	40	20	PRO	PRO	F	F	8 - 184	28 - 204
41	41	21	PRO	PRO	D	D	8 - 184	28 - 204
42	42	21	PRO	PRO	G	G	8 - 184	28 - 204
43	43	22	PRO	PRO	D	D	8 - 184	28 - 204
44	44	22	PRO	PRO	H	H	8 - 184	28 - 204
45	45	23	CYS	CYS	E	E	8 - 185	28 - 205
46	46	23	CYS	CYS	F	F	8 - 185	28 - 205
47	47	24	CYS	CYS	E	E	8 - 185	28 - 205
48	48	24	CYS	CYS	G	G	8 - 185	28 - 205
49	49	25	CYS	CYS	E	E	8 - 185	28 - 205
50	50	25	CYS	CYS	H	H	8 - 185	28 - 205
51	51	26	CYS	CYS	F	F	8 - 185	28 - 205
52	52	26	CYS	CYS	G	G	8 - 185	28 - 205
53	53	27	CYS	CYS	F	F	8 - 185	28 - 205
54	54	27	CYS	CYS	H	H	8 - 185	28 - 205
55	55	28	CYS	CYS	G	G	8 - 185	28 - 205
56	56	28	CYS	CYS	H	H	8 - 185	28 - 205

NCS ensembles :

ID	Details
1	Local NCS retraints between domains: 1 2
2	Local NCS retraints between domains: 3 4
3	Local NCS retraints between domains: 5 6
4	Local NCS retraints between domains: 7 8
5	Local NCS retraints between domains: 9 10
6	Local NCS retraints between domains: 11 12
7	Local NCS retraints between domains: 13 14
8	Local NCS retraints between domains: 15 16
9	Local NCS retraints between domains: 17 18
10	Local NCS retraints between domains: 19 20
11	Local NCS retraints between domains: 21 22
12	Local NCS retraints between domains: 23 24
13	Local NCS retraints between domains: 25 26
14	Local NCS retraints between domains: 27 28
15	Local NCS retraints between domains: 29 30
16	Local NCS retraints between domains: 31 32
17	Local NCS retraints between domains: 33 34
18	Local NCS retraints between domains: 35 36
19	Local NCS retraints between domains: 37 38
20	Local NCS retraints between domains: 39 40
21	Local NCS retraints between domains: 41 42
22	Local NCS retraints between domains: 43 44
23	Local NCS retraints between domains: 45 46
24	Local NCS retraints between domains: 47 48
25	Local NCS retraints between domains: 49 50
26	Local NCS retraints between domains: 51 52
27	Local NCS retraints between domains: 53 54
28	Local NCS retraints between domains: 55 56

#1: Protein	Acetyltransferase / / Ribosomal-protein-alanine N-acetyltransferase / Streptothricin acetyltransferase Mass: 22071.469 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces lavendulae subsp. lavendulae (bacteria) Gene: SLAV_37450 / Production host: Escherichia coli (E. coli) / References: UniProt: G9MBU1
#2: Chemical	ChemComp-OI9 / Streptothricin F Mass: 502.522 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₁₉H₃₄N₈O₈ / Feature type: SUBJECT OF INVESTIGATION
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 537 / 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: 2.6 Å³/Da / Density % sol: 52.61 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 0.1 M MES pH 6.5 0.2 M ammonium sulfate 20% PEG 8000

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: NSRRC / Beamline: BL15A1 / Wavelength: 1 Å
Detector	Type: RAYONIX MX300HE / Detector: CCD / Date: Dec 24, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.415→20 Å / Num. obs: 59578 / % possible obs: 97.9 % / Redundancy: 2.8 % / R_merge(I) obs: 0.081 / R_rim(I) all: 0.099 / Net I/σ(I): 15.2
Reflection shell	Resolution: 2.42→2.51 Å / R_merge(I) obs: 0.441 / Mean I/σ(I) obs: 3.8 / Num. unique obs: 5876 / R_rim(I) all: 0.545

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0267	refinement
HKL-2000		data reduction
HKL-2000		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3PP9

3pp9

Resolution: 2.415→19.899 Å / Cor.coef. F_o:F_c: 0.93 / Cor.coef. F_o:F_c free: 0.915 / SU B: 8.252 / SU ML: 0.189 / Cross valid method: FREE R-VALUE / ESU R: 0.501 / ESU R Free: 0.27
Details: Hydrogens have been added in their riding positions

	R_factor	Num. reflection	% reflection
R_free	0.2454	2912	4.888 %
R_work	0.2114	56666	-
all	0.213	-	-
obs	-	59578	96.958 %

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT

Displacement parameters

B_iso mean: 34.404 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	1.657 Å²	0.287 Å²	-0.235 Å²
2-	-	-0.04 Å²	0.424 Å²
3-	-	-	-1.615 Å²

Refinement step

Cycle: LAST / Resolution: 2.415→19.899 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10302	0	280	537	11119

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.005	0.013	10830
X-RAY DIFFRACTION	r_bond_other_d	0.003	0.018	10004
X-RAY DIFFRACTION	r_angle_refined_deg	1.414	1.682	14748
X-RAY DIFFRACTION	r_angle_other_deg	1.225	1.63	22916
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.176	5	1354
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	24.782	20.137	584
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.898	15	1482
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.011	15	104
X-RAY DIFFRACTION	r_chiral_restr	0.067	0.2	1428
X-RAY DIFFRACTION	r_chiral_restr_other	1.232	0.2	64
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.02	12374
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	2634
X-RAY DIFFRACTION	r_nbd_refined	0.173	0.2	1863
X-RAY DIFFRACTION	r_symmetry_nbd_other	0.173	0.2	9260
X-RAY DIFFRACTION	r_nbtor_refined	0.157	0.2	5224
X-RAY DIFFRACTION	r_symmetry_nbtor_other	0.073	0.2	5113
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.162	0.2	561
X-RAY DIFFRACTION	r_symmetry_xyhbond_nbd_other	0.087	0.2	6
X-RAY DIFFRACTION	r_symmetry_nbd_refined	0.133	0.2	41
X-RAY DIFFRACTION	r_nbd_other	0.221	0.2	113
X-RAY DIFFRACTION	r_symmetry_xyhbond_nbd_refined	0.153	0.2	8
X-RAY DIFFRACTION	r_mcbond_it	1.711	3.56	5488
X-RAY DIFFRACTION	r_mcbond_other	1.71	3.56	5488
X-RAY DIFFRACTION	r_mcangle_it	2.886	5.326	6818
X-RAY DIFFRACTION	r_mcangle_other	2.885	5.326	6819
X-RAY DIFFRACTION	r_scbond_it	1.938	3.779	5342
X-RAY DIFFRACTION	r_scbond_other	1.937	3.779	5343
X-RAY DIFFRACTION	r_scangle_it	3.309	5.562	7930
X-RAY DIFFRACTION	r_scangle_other	3.309	5.562	7931
X-RAY DIFFRACTION	r_lrange_it	5.357	41.045	11489
X-RAY DIFFRACTION	r_lrange_other	5.31	40.931	11394
X-RAY DIFFRACTION	r_ncsr_local_group_1	0.056	0.05	4986
X-RAY DIFFRACTION	r_ncsr_local_group_2	0.069	0.05	4970
X-RAY DIFFRACTION	r_ncsr_local_group_3	0.037	0.05	5103
X-RAY DIFFRACTION	r_ncsr_local_group_4	0.037	0.05	5063
X-RAY DIFFRACTION	r_ncsr_local_group_5	0.053	0.05	4977
X-RAY DIFFRACTION	r_ncsr_local_group_6	0.056	0.05	4968
X-RAY DIFFRACTION	r_ncsr_local_group_7	0.032	0.05	5057
X-RAY DIFFRACTION	r_ncsr_local_group_8	0.051	0.05	5074
X-RAY DIFFRACTION	r_ncsr_local_group_9	0.054	0.05	4985
X-RAY DIFFRACTION	r_ncsr_local_group_10	0.048	0.05	5023
X-RAY DIFFRACTION	r_ncsr_local_group_11	0.033	0.05	5078
X-RAY DIFFRACTION	r_ncsr_local_group_12	0.052	0.05	5054
X-RAY DIFFRACTION	r_ncsr_local_group_13	0.049	0.05	5022
X-RAY DIFFRACTION	r_ncsr_local_group_14	0.067	0.05	4995
X-RAY DIFFRACTION	r_ncsr_local_group_15	0.063	0.05	5006
X-RAY DIFFRACTION	r_ncsr_local_group_16	0.052	0.05	5063
X-RAY DIFFRACTION	r_ncsr_local_group_17	0.064	0.05	5059
X-RAY DIFFRACTION	r_ncsr_local_group_18	0.07	0.05	4999
X-RAY DIFFRACTION	r_ncsr_local_group_19	0.033	0.05	5064
X-RAY DIFFRACTION	r_ncsr_local_group_20	0.052	0.05	4974
X-RAY DIFFRACTION	r_ncsr_local_group_21	0.054	0.05	4963
X-RAY DIFFRACTION	r_ncsr_local_group_22	0.028	0.05	5053
X-RAY DIFFRACTION	r_ncsr_local_group_23	0.053	0.05	5004
X-RAY DIFFRACTION	r_ncsr_local_group_24	0.057	0.05	4995
X-RAY DIFFRACTION	r_ncsr_local_group_25	0.031	0.05	5092
X-RAY DIFFRACTION	r_ncsr_local_group_26	0.048	0.05	5053
X-RAY DIFFRACTION	r_ncsr_local_group_27	0.053	0.05	4997
X-RAY DIFFRACTION	r_ncsr_local_group_28	0.056	0.05	4988

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Refine-ID	Type	Rms dev position (Å)	Weight position
1	1	A	X-RAY DIFFRACTION	Local ncs	0.05564	0.0501
1	2	B	X-RAY DIFFRACTION	Local ncs	0.05564	0.0501
2	3	A	X-RAY DIFFRACTION	Local ncs	0.06906	0.0501
2	4	C	X-RAY DIFFRACTION	Local ncs	0.06906	0.0501
3	5	A	X-RAY DIFFRACTION	Local ncs	0.03674	0.05011
3	6	D	X-RAY DIFFRACTION	Local ncs	0.03674	0.05011
4	7	A	X-RAY DIFFRACTION	Local ncs	0.0368	0.05011
4	8	E	X-RAY DIFFRACTION	Local ncs	0.0368	0.05011
5	9	A	X-RAY DIFFRACTION	Local ncs	0.0534	0.0501
5	10	F	X-RAY DIFFRACTION	Local ncs	0.0534	0.0501
6	11	A	X-RAY DIFFRACTION	Local ncs	0.05563	0.0501
6	12	G	X-RAY DIFFRACTION	Local ncs	0.05563	0.0501
7	13	A	X-RAY DIFFRACTION	Local ncs	0.03161	0.05011
7	14	H	X-RAY DIFFRACTION	Local ncs	0.03161	0.05011
8	15	B	X-RAY DIFFRACTION	Local ncs	0.05057	0.05011
8	16	C	X-RAY DIFFRACTION	Local ncs	0.05057	0.05011
9	17	B	X-RAY DIFFRACTION	Local ncs	0.05439	0.0501
9	18	D	X-RAY DIFFRACTION	Local ncs	0.05439	0.0501
10	19	B	X-RAY DIFFRACTION	Local ncs	0.04826	0.0501
10	20	E	X-RAY DIFFRACTION	Local ncs	0.04826	0.0501
11	21	B	X-RAY DIFFRACTION	Local ncs	0.03335	0.05011
11	22	F	X-RAY DIFFRACTION	Local ncs	0.03335	0.05011
12	23	B	X-RAY DIFFRACTION	Local ncs	0.05186	0.05011
12	24	G	X-RAY DIFFRACTION	Local ncs	0.05186	0.05011
13	25	B	X-RAY DIFFRACTION	Local ncs	0.04922	0.0501
13	26	H	X-RAY DIFFRACTION	Local ncs	0.04922	0.0501
14	27	C	X-RAY DIFFRACTION	Local ncs	0.06728	0.0501
14	28	D	X-RAY DIFFRACTION	Local ncs	0.06728	0.0501
15	29	C	X-RAY DIFFRACTION	Local ncs	0.0626	0.0501
15	30	E	X-RAY DIFFRACTION	Local ncs	0.0626	0.0501
16	31	C	X-RAY DIFFRACTION	Local ncs	0.05161	0.05011
16	32	F	X-RAY DIFFRACTION	Local ncs	0.05161	0.05011
17	33	C	X-RAY DIFFRACTION	Local ncs	0.06365	0.05011
17	34	G	X-RAY DIFFRACTION	Local ncs	0.06365	0.05011
18	35	C	X-RAY DIFFRACTION	Local ncs	0.06956	0.0501
18	36	H	X-RAY DIFFRACTION	Local ncs	0.06956	0.0501
19	37	D	X-RAY DIFFRACTION	Local ncs	0.03301	0.05011
19	38	E	X-RAY DIFFRACTION	Local ncs	0.03301	0.05011
20	39	D	X-RAY DIFFRACTION	Local ncs	0.05207	0.0501
20	40	F	X-RAY DIFFRACTION	Local ncs	0.05207	0.0501
21	41	D	X-RAY DIFFRACTION	Local ncs	0.05448	0.0501
21	42	G	X-RAY DIFFRACTION	Local ncs	0.05448	0.0501
22	43	D	X-RAY DIFFRACTION	Local ncs	0.02835	0.05011
22	44	H	X-RAY DIFFRACTION	Local ncs	0.02835	0.05011
23	45	E	X-RAY DIFFRACTION	Local ncs	0.05279	0.0501
23	46	F	X-RAY DIFFRACTION	Local ncs	0.05279	0.0501
24	47	E	X-RAY DIFFRACTION	Local ncs	0.05726	0.0501
24	48	G	X-RAY DIFFRACTION	Local ncs	0.05726	0.0501
25	49	E	X-RAY DIFFRACTION	Local ncs	0.03084	0.05011
25	50	H	X-RAY DIFFRACTION	Local ncs	0.03084	0.05011
26	51	F	X-RAY DIFFRACTION	Local ncs	0.04848	0.05011
26	52	G	X-RAY DIFFRACTION	Local ncs	0.04848	0.05011
27	53	F	X-RAY DIFFRACTION	Local ncs	0.05299	0.0501
27	54	H	X-RAY DIFFRACTION	Local ncs	0.05299	0.0501
28	55	G	X-RAY DIFFRACTION	Local ncs	0.05645	0.0501
28	56	H	X-RAY DIFFRACTION	Local ncs	0.05645	0.0501

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.415-2.477	0.275	170	0.256	3768	X-RAY DIFFRACTION	86.9508
2.477-2.545	0.301	219	0.257	4138	X-RAY DIFFRACTION	97.5375
2.545-2.618	0.325	211	0.259	3848	X-RAY DIFFRACTION	97.5956
2.618-2.698	0.286	208	0.247	3934	X-RAY DIFFRACTION	97.4588
2.698-2.786	0.293	184	0.25	3733	X-RAY DIFFRACTION	97.6078
2.786-2.882	0.334	192	0.233	3635	X-RAY DIFFRACTION	97.8022
2.882-2.99	0.234	198	0.213	3480	X-RAY DIFFRACTION	97.6633
2.99-3.111	0.283	206	0.213	3291	X-RAY DIFFRACTION	97.1119
3.111-3.248	0.258	186	0.225	3262	X-RAY DIFFRACTION	97.8156
3.248-3.404	0.276	177	0.207	3057	X-RAY DIFFRACTION	97.6155
3.404-3.586	0.277	103	0.209	2968	X-RAY DIFFRACTION	98.0524
3.586-3.8	0.211	156	0.198	2779	X-RAY DIFFRACTION	97.8333
3.8-4.058	0.218	141	0.191	2672	X-RAY DIFFRACTION	98.2193
4.058-4.376	0.204	144	0.184	2423	X-RAY DIFFRACTION	98.617
4.376-4.784	0.18	97	0.173	2286	X-RAY DIFFRACTION	98.9207
4.784-5.331	0.208	96	0.179	2075	X-RAY DIFFRACTION	99.042
5.331-6.124	0.221	71	0.198	1879	X-RAY DIFFRACTION	99.1357
6.124-7.423	0.231	57	0.202	1544	X-RAY DIFFRACTION	99.0105
7.423-10.191	0.219	47	0.199	1249	X-RAY DIFFRACTION	98.7805

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