PDB-9uoz: Structure of Echinococcus multilocularis Cystatin B

ID or keywords:

Entry

Database: PDB / ID: 9uoz

Title

Structure of Echinococcus multilocularis Cystatin B

Components

Cystatin B Stefin B

Keywords

HYDROLASE / Inhibitor

Function / homology

Proteinase inhibitor I25A, stefin / Cystatin domain / Cystatin domain / Cystatin superfamily / cysteine-type endopeptidase inhibitor activity / cytosol / Cystatin B Stefin B

Function and homology information

Biological species

Echinococcus multilocularis (invertebrata)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.999 Å

Authors

Huang, S.Q. / Hong, W.B.

Funding support

China, 1items

Citation

Journal: To Be Published
Title: Crystal Structure of Echinococcus multilocularis Cystatin B
Authors: Huang, S.Q. / Hong, W.B.

History

Deposition	Apr 27, 2025	Deposition site: PDBJ / Processing site: PDBC
Supersession	Aug 20, 2025	ID: 8JOH
Revision 1.0	Aug 20, 2025	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9uoz.cif.gz	180 KB	Display	PDBx/mmCIF format
PDB format	pdb9uoz.ent.gz	138.6 KB	Display	PDB format
PDBx/mmJSON format	9uoz.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9uoz_validation.pdf.gz	496.8 KB	Display	wwPDB validaton report
Full document	9uoz_full_validation.pdf.gz	522 KB	Display
Data in XML	9uoz_validation.xml.gz	42.2 KB	Display
Data in CIF	9uoz_validation.cif.gz	53.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/uo/9uoz ftp://data.pdbj.org/pub/pdb/validation_reports/uo/9uoz	HTTPS FTP

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Related structure data

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	#224 - Aug 2018 Legumain similarity (2)

Deposited unit

A: Cystatin B Stefin B

B: Cystatin B Stefin B

D: Cystatin B Stefin B

F: Cystatin B Stefin B

C: Cystatin B Stefin B

E: Cystatin B Stefin B

G: Cystatin B Stefin B

H: Cystatin B Stefin B

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

1

Idetical with deposited unit
defined by author
Evidence: gel filtration

2

A: Cystatin B Stefin B

B: Cystatin B Stefin B

D: Cystatin B Stefin B

F: Cystatin B Stefin B

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

3

A: Cystatin B Stefin B

D: Cystatin B Stefin B

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

4

B: Cystatin B Stefin B

F: Cystatin B Stefin B

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

5

C: Cystatin B Stefin B

E: Cystatin B Stefin B

G: Cystatin B Stefin B

H: Cystatin B Stefin B

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

6

C: Cystatin B Stefin B

G: Cystatin B Stefin B

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

7

E: Cystatin B Stefin B

H: Cystatin B Stefin B

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

Unit cell

Length a, b, c (Å)	72.773, 66.112, 92.600
Angle α, β, γ (deg.)	90.000, 103.432, 90.000
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Dom-ID	Component-ID	Ens-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	1	CYS	CYS	GLU	GLU	A	A	4 - 100	4 - 100
2	1	1	CYS	CYS	GLU	GLU	B	B	4 - 100	4 - 100
3	2	2	PRO	PRO	GLU	GLU	A	A	2 - 100	2 - 100
4	2	2	PRO	PRO	GLU	GLU	D	C	2 - 100	2 - 100
5	3	3	MET	MET	HIS	HIS	A	A	3 - 101	3 - 101
6	3	3	MET	MET	HIS	HIS	F	D	3 - 101	3 - 101
7	4	4	MET	MET	HIS	HIS	A	A	3 - 101	3 - 101
8	4	4	MET	MET	HIS	HIS	C	E	3 - 101	3 - 101
9	5	5	MET	MET	HIS	HIS	A	A	3 - 102	3 - 102
10	5	5	MET	MET	HIS	HIS	E	F	3 - 102	3 - 102
11	6	6	CYS	CYS	GLU	GLU	A	A	4 - 100	4 - 100
12	6	6	CYS	CYS	GLU	GLU	G	G	4 - 100	4 - 100
13	7	7	CYS	CYS	GLU	GLU	A	A	4 - 100	4 - 100
14	7	7	CYS	CYS	GLU	GLU	H	H	4 - 100	4 - 100
15	8	8	CYS	CYS	GLU	GLU	B	B	4 - 100	4 - 100
16	8	8	CYS	CYS	GLU	GLU	D	C	4 - 100	4 - 100
17	9	9	CYS	CYS	GLU	GLU	B	B	4 - 100	4 - 100
18	9	9	CYS	CYS	GLU	GLU	F	D	4 - 100	4 - 100
19	10	10	CYS	CYS	GLU	GLU	B	B	4 - 100	4 - 100
20	10	10	CYS	CYS	GLU	GLU	C	E	4 - 100	4 - 100
21	11	11	CYS	CYS	GLU	GLU	B	B	4 - 100	4 - 100
22	11	11	CYS	CYS	GLU	GLU	E	F	4 - 100	4 - 100
23	12	12	CYS	CYS	HIS	HIS	B	B	4 - 101	4 - 101
24	12	12	CYS	CYS	HIS	HIS	G	G	4 - 101	4 - 101
25	13	13	CYS	CYS	HIS	HIS	B	B	4 - 101	4 - 101
26	13	13	CYS	CYS	HIS	HIS	H	H	4 - 101	4 - 101
27	14	14	MET	MET	GLU	GLU	D	C	3 - 100	3 - 100
28	14	14	MET	MET	GLU	GLU	F	D	3 - 100	3 - 100
29	15	15	MET	MET	GLU	GLU	D	C	3 - 100	3 - 100
30	15	15	MET	MET	GLU	GLU	C	E	3 - 100	3 - 100
31	16	16	MET	MET	GLU	GLU	D	C	3 - 100	3 - 100
32	16	16	MET	MET	GLU	GLU	E	F	3 - 100	3 - 100
33	17	17	CYS	CYS	GLU	GLU	D	C	4 - 100	4 - 100
34	17	17	CYS	CYS	GLU	GLU	G	G	4 - 100	4 - 100
35	18	18	CYS	CYS	GLU	GLU	D	C	4 - 100	4 - 100
36	18	18	CYS	CYS	GLU	GLU	H	H	4 - 100	4 - 100
37	19	19	MET	MET	HIS	HIS	F	D	3 - 102	3 - 102
38	19	19	MET	MET	HIS	HIS	C	E	3 - 102	3 - 102
39	20	20	MET	MET	HIS	HIS	F	D	3 - 101	3 - 101
40	20	20	MET	MET	HIS	HIS	E	F	3 - 101	3 - 101
41	21	21	CYS	CYS	GLU	GLU	F	D	4 - 100	4 - 100
42	21	21	CYS	CYS	GLU	GLU	G	G	4 - 100	4 - 100
43	22	22	CYS	CYS	GLU	GLU	F	D	4 - 100	4 - 100
44	22	22	CYS	CYS	GLU	GLU	H	H	4 - 100	4 - 100
45	23	23	MET	MET	HIS	HIS	C	E	3 - 101	3 - 101
46	23	23	MET	MET	HIS	HIS	E	F	3 - 101	3 - 101
47	24	24	CYS	CYS	GLU	GLU	C	E	4 - 100	4 - 100
48	24	24	CYS	CYS	GLU	GLU	G	G	4 - 100	4 - 100
49	25	25	CYS	CYS	GLU	GLU	C	E	4 - 100	4 - 100
50	25	25	CYS	CYS	GLU	GLU	H	H	4 - 100	4 - 100
51	26	26	CYS	CYS	GLU	GLU	E	F	4 - 100	4 - 100
52	26	26	CYS	CYS	GLU	GLU	G	G	4 - 100	4 - 100
53	27	27	CYS	CYS	GLU	GLU	E	F	4 - 100	4 - 100
54	27	27	CYS	CYS	GLU	GLU	H	H	4 - 100	4 - 100
55	28	28	CYS	CYS	HIS	HIS	G	G	4 - 101	4 - 101
56	28	28	CYS	CYS	HIS	HIS	H	H	4 - 101	4 - 101

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	Cystatin B Stefin B Mass: 11998.584 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Echinococcus multilocularis (invertebrata) Gene: EmuJ_000159200 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A087VZV0
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 361 / 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: 2.26 Å³/Da / Density % sol: 45.51 %
Crystal grow	Temperature: 289.15 K / Method: vapor diffusion, sitting drop Details: 30% PEG400 100 mM Tris base/ Hydrochloric acid pH 8.5 200 mM Magnesium chloride

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL02U1 / Wavelength: 0.979 Å
Detector	Type: DECTRIS EIGER2 X 9M / Detector: PIXEL / Date: Sep 19, 2022
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 1.999→50 Å / Num. obs: 57418 / % possible obs: 98.9 % / Redundancy: 5.9 % / R_merge(I) obs: 0.104 / Net I/σ(I): 29.371
Reflection shell	Resolution: 1.999→2.03 Å / Num. unique obs: 4125 / CC_1/2: 0.822

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0430	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.999→37.247 Å / Cor.coef. F_o:F_c: 0.951 / Cor.coef. F_o:F_c free: 0.937 / SU B: 5.592 / SU ML: 0.148 / Cross valid method: THROUGHOUT / ESU R: 0.209 / ESU R Free: 0.171
Details: Hydrogens have been added in their riding positions

	R_factor	Num. reflection	% reflection
R_free	0.2405	2798	4.874 %
R_work	0.2107	54603	-
all	0.212	-	-
obs	-	57401	98.812 %

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: 42.232 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-2.656 Å²	-0 Å²	0.3 Å²
2-	-	4.918 Å²	-0 Å²
3-	-	-	-2.158 Å²

Refinement step

Cycle: LAST / Resolution: 1.999→37.247 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6276	0	0	361	6637

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.007	0.012	6448
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.016	5948
X-RAY DIFFRACTION	r_angle_refined_deg	1.751	1.838	8761
X-RAY DIFFRACTION	r_angle_other_deg	0.631	1.769	13762
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.37	5	792
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	14.083	5	32
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	18.462	10	1071
X-RAY DIFFRACTION	r_dihedral_angle_6_deg	15.689	10	304
X-RAY DIFFRACTION	r_chiral_restr	0.1	0.2	975
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.02	7520
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	1393
X-RAY DIFFRACTION	r_nbd_refined	0.225	0.2	1197
X-RAY DIFFRACTION	r_symmetry_nbd_other	0.211	0.2	5300
X-RAY DIFFRACTION	r_nbtor_refined	0.168	0.2	3039
X-RAY DIFFRACTION	r_symmetry_nbtor_other	0.087	0.2	3746
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.181	0.2	289
X-RAY DIFFRACTION	r_symmetry_xyhbond_nbd_other	0.104	0.2	2
X-RAY DIFFRACTION	r_symmetry_nbd_refined	0.178	0.2	16
X-RAY DIFFRACTION	r_nbd_other	0.228	0.2	67
X-RAY DIFFRACTION	r_symmetry_xyhbond_nbd_refined	0.188	0.2	15
X-RAY DIFFRACTION	r_mcbond_it	3.744	4.114	3189
X-RAY DIFFRACTION	r_mcbond_other	3.744	4.114	3189
X-RAY DIFFRACTION	r_mcangle_it	5.547	7.366	3974
X-RAY DIFFRACTION	r_mcangle_other	5.546	7.366	3975
X-RAY DIFFRACTION	r_scbond_it	5.29	4.742	3259
X-RAY DIFFRACTION	r_scbond_other	5.289	4.742	3260
X-RAY DIFFRACTION	r_scangle_it	8.226	8.389	4787
X-RAY DIFFRACTION	r_scangle_other	8.225	8.388	4788
X-RAY DIFFRACTION	r_lrange_it	10.971	50.622	23824
X-RAY DIFFRACTION	r_lrange_other	10.976	50.546	23649
X-RAY DIFFRACTION	r_ncsr_local_group_1	0.125	0.05	2601
X-RAY DIFFRACTION	r_ncsr_local_group_2	0.14	0.05	2627
X-RAY DIFFRACTION	r_ncsr_local_group_3	0.129	0.05	2668
X-RAY DIFFRACTION	r_ncsr_local_group_4	0.124	0.05	2672
X-RAY DIFFRACTION	r_ncsr_local_group_5	0.135	0.05	2673
X-RAY DIFFRACTION	r_ncsr_local_group_6	0.193	0.05	2370
X-RAY DIFFRACTION	r_ncsr_local_group_7	0.124	0.05	2603
X-RAY DIFFRACTION	r_ncsr_local_group_8	0.122	0.05	2602
X-RAY DIFFRACTION	r_ncsr_local_group_9	0.123	0.05	2583
X-RAY DIFFRACTION	r_ncsr_local_group_10	0.116	0.05	2607
X-RAY DIFFRACTION	r_ncsr_local_group_11	0.067	0.05	2733
X-RAY DIFFRACTION	r_ncsr_local_group_12	0.177	0.05	2453
X-RAY DIFFRACTION	r_ncsr_local_group_13	0.106	0.05	2635
X-RAY DIFFRACTION	r_ncsr_local_group_14	0.127	0.05	2630
X-RAY DIFFRACTION	r_ncsr_local_group_15	0.125	0.05	2630
X-RAY DIFFRACTION	r_ncsr_local_group_16	0.129	0.05	2624
X-RAY DIFFRACTION	r_ncsr_local_group_17	0.168	0.05	2478
X-RAY DIFFRACTION	r_ncsr_local_group_18	0.109	0.05	2628
X-RAY DIFFRACTION	r_ncsr_local_group_19	0.126	0.05	2723
X-RAY DIFFRACTION	r_ncsr_local_group_20	0.131	0.05	2638
X-RAY DIFFRACTION	r_ncsr_local_group_21	0.18	0.05	2446
X-RAY DIFFRACTION	r_ncsr_local_group_22	0.091	0.05	2719
X-RAY DIFFRACTION	r_ncsr_local_group_23	0.121	0.05	2671
X-RAY DIFFRACTION	r_ncsr_local_group_24	0.186	0.05	2425
X-RAY DIFFRACTION	r_ncsr_local_group_25	0.108	0.05	2638
X-RAY DIFFRACTION	r_ncsr_local_group_26	0.183	0.05	2417
X-RAY DIFFRACTION	r_ncsr_local_group_27	0.12	0.05	2583
X-RAY DIFFRACTION	r_ncsr_local_group_28	0.171	0.05	2472

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	0.12483	0.05008
1	2	B	X-RAY DIFFRACTION	Local ncs	0.12483	0.05008
2	3	A	X-RAY DIFFRACTION	Local ncs	0.14017	0.05008
2	4	D	X-RAY DIFFRACTION	Local ncs	0.14017	0.05008
3	5	A	X-RAY DIFFRACTION	Local ncs	0.12915	0.05008
3	6	F	X-RAY DIFFRACTION	Local ncs	0.12915	0.05008
4	7	A	X-RAY DIFFRACTION	Local ncs	0.1237	0.05009
4	8	C	X-RAY DIFFRACTION	Local ncs	0.1237	0.05009
5	9	A	X-RAY DIFFRACTION	Local ncs	0.13505	0.05008
5	10	E	X-RAY DIFFRACTION	Local ncs	0.13505	0.05008
6	11	A	X-RAY DIFFRACTION	Local ncs	0.19325	0.05008
6	12	G	X-RAY DIFFRACTION	Local ncs	0.19325	0.05008
7	13	A	X-RAY DIFFRACTION	Local ncs	0.12377	0.05008
7	14	H	X-RAY DIFFRACTION	Local ncs	0.12377	0.05008
8	15	B	X-RAY DIFFRACTION	Local ncs	0.12218	0.05009
8	16	D	X-RAY DIFFRACTION	Local ncs	0.12218	0.05009
9	17	B	X-RAY DIFFRACTION	Local ncs	0.12302	0.05008
9	18	F	X-RAY DIFFRACTION	Local ncs	0.12302	0.05008
10	19	B	X-RAY DIFFRACTION	Local ncs	0.11571	0.05009
10	20	C	X-RAY DIFFRACTION	Local ncs	0.11571	0.05009
11	21	B	X-RAY DIFFRACTION	Local ncs	0.06704	0.05009
11	22	E	X-RAY DIFFRACTION	Local ncs	0.06704	0.05009
12	23	B	X-RAY DIFFRACTION	Local ncs	0.17717	0.05008
12	24	G	X-RAY DIFFRACTION	Local ncs	0.17717	0.05008
13	25	B	X-RAY DIFFRACTION	Local ncs	0.10582	0.05009
13	26	H	X-RAY DIFFRACTION	Local ncs	0.10582	0.05009
14	27	D	X-RAY DIFFRACTION	Local ncs	0.12738	0.05009
14	28	F	X-RAY DIFFRACTION	Local ncs	0.12738	0.05009
15	29	D	X-RAY DIFFRACTION	Local ncs	0.12471	0.05009
15	30	C	X-RAY DIFFRACTION	Local ncs	0.12471	0.05009
16	31	D	X-RAY DIFFRACTION	Local ncs	0.12878	0.05009
16	32	E	X-RAY DIFFRACTION	Local ncs	0.12878	0.05009
17	33	D	X-RAY DIFFRACTION	Local ncs	0.1677	0.05009
17	34	G	X-RAY DIFFRACTION	Local ncs	0.1677	0.05009
18	35	D	X-RAY DIFFRACTION	Local ncs	0.10874	0.05009
18	36	H	X-RAY DIFFRACTION	Local ncs	0.10874	0.05009
19	37	F	X-RAY DIFFRACTION	Local ncs	0.12563	0.05009
19	38	C	X-RAY DIFFRACTION	Local ncs	0.12563	0.05009
20	39	F	X-RAY DIFFRACTION	Local ncs	0.13062	0.05009
20	40	E	X-RAY DIFFRACTION	Local ncs	0.13062	0.05009
21	41	F	X-RAY DIFFRACTION	Local ncs	0.18049	0.05008
21	42	G	X-RAY DIFFRACTION	Local ncs	0.18049	0.05008
22	43	F	X-RAY DIFFRACTION	Local ncs	0.09125	0.05009
22	44	H	X-RAY DIFFRACTION	Local ncs	0.09125	0.05009
23	45	C	X-RAY DIFFRACTION	Local ncs	0.12137	0.05009
23	46	E	X-RAY DIFFRACTION	Local ncs	0.12137	0.05009
24	47	C	X-RAY DIFFRACTION	Local ncs	0.18553	0.05008
24	48	G	X-RAY DIFFRACTION	Local ncs	0.18553	0.05008
25	49	C	X-RAY DIFFRACTION	Local ncs	0.10841	0.05009
25	50	H	X-RAY DIFFRACTION	Local ncs	0.10841	0.05009
26	51	E	X-RAY DIFFRACTION	Local ncs	0.18333	0.05008
26	52	G	X-RAY DIFFRACTION	Local ncs	0.18333	0.05008
27	53	E	X-RAY DIFFRACTION	Local ncs	0.11983	0.05008
27	54	H	X-RAY DIFFRACTION	Local ncs	0.11983	0.05008
28	55	G	X-RAY DIFFRACTION	Local ncs	0.17116	0.05008
28	56	H	X-RAY DIFFRACTION	Local ncs	0.17116	0.05008

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 (%)
1.999-2.051	0.33	183	0.287	3633	X-RAY DIFFRACTION	89.7882
2.051-2.107	0.292	186	0.272	3796	X-RAY DIFFRACTION	96.4398
2.107-2.167	0.313	191	0.268	3786	X-RAY DIFFRACTION	98.8566
2.167-2.234	0.284	188	0.25	3755	X-RAY DIFFRACTION	99.6966
2.234-2.307	0.295	179	0.262	3609	X-RAY DIFFRACTION	99.8419
2.307-2.388	0.277	188	0.225	3491	X-RAY DIFFRACTION	100
2.388-2.477	0.239	175	0.223	3382	X-RAY DIFFRACTION	100
2.477-2.578	0.267	171	0.233	3269	X-RAY DIFFRACTION	100
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