PDB-1z6r: Crystal structure of Mlc from Escherichia coli

ID or keywords:

Entry

Database: PDB / ID: 1z6r

Title

Crystal structure of Mlc from Escherichia coli

Components

Mlc protein

Keywords

TRANSCRIPTION / transcriptional repressor / ROK family protein / DNA binding protein / helix-turn-helix / phosphotransferase system / metalloprotein

Function / homology

Function and homology information

DNA-templated transcription / regulation of DNA-templated transcription / DNA binding / identical protein binding / membrane / metal ion binding / cytoplasm
Similarity search - Function

Biological species

Escherichia coli (E. coli)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MAD / Resolution: 2.7 Å

Authors

Schiefner, A. / Gerber, K. / Seitz, S. / Welte, W. / Diederichs, K. / Boos, W.

Citation

Journal: J.Biol.Chem. / Year: 2005
Title: The crystal structure of Mlc, a global regulator of sugar metabolism in Escherichia coli
Authors: Schiefner, A. / Gerber, K. / Seitz, S. / Welte, W. / Diederichs, K. / Boos, W.

History

Deposition	Mar 23, 2005	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Jun 14, 2005	Provider: repository / Type: Initial release
Revision 1.1	Apr 30, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.3	Oct 11, 2017	Group: Refinement description / Category: software / Item: _software.classification / _software.name
Revision 1.4	Nov 10, 2021	Group: Database references / Derived calculations Category: database_2 / pdbx_struct_conn_angle ...database_2 / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_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_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_ref_seq_dif.details / _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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Download

PDBx/mmCIF format	1z6r.cif.gz	288.6 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	1z6r_validation.pdf.gz	472 KB	Display	wwPDB validaton report
Full document	1z6r_full_validation.pdf.gz	526.4 KB	Display
Data in XML	1z6r_validation.xml.gz	55.2 KB	Display
Data in CIF	1z6r_validation.cif.gz	74.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/z6/1z6r ftp://data.pdbj.org/pub/pdb/validation_reports/z6/1z6r	HTTPS FTP

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Related structure data

Similar structure data	3bp8-2 3bdd-d 4m0m-d 6pk2-2 6fym-d 6prw-4 6pk2-4 6p7u-2 2hoe-1 4beb-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

Deposited unit

A: Mlc protein

B: Mlc protein

C: Mlc protein

D: Mlc protein

hetero molecules

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

1

A: Mlc protein

B: Mlc protein

hetero molecules

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

2

C: Mlc protein

D: Mlc protein

hetero molecules

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

3

Idetical with deposited unit
defined by software

Unit cell

Length a, b, c (Å)	235.950, 74.710, 154.950
Angle α, β, γ (deg.)	90.00, 129.15, 90.00
Int Tables number	5
Space group name H-M	C121

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: 1 / Refine code: 4

Dom-ID	Ens-ID	Beg label comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	GLN	LEU	A	A	12 - 63	12 - 63
2	1	GLN	LEU	B	B	12 - 63	12 - 63
3	1	GLN	LEU	C	C	12 - 63	12 - 63
4	1	GLN	LEU	D	D	12 - 63	12 - 63
1	2	GLY	HIS	A	A	77 - 194	77 - 194
2	2	GLY	HIS	B	B	77 - 194	77 - 194
3	2	GLY	HIS	C	C	77 - 194	77 - 194
4	2	GLY	HIS	D	D	77 - 194	77 - 194
1	3	ASP	ALA	A	A	195 - 212	195 - 212
2	3	ASP	ALA	B	B	195 - 212	195 - 212
3	3	ASP	ALA	C	C	195 - 212	195 - 212
4	3	ASP	ALA	D	D	195 - 212	195 - 212
1	4	ARG	VAL	A	A	213 - 243	213 - 243
2	4	ARG	VAL	B	B	213 - 243	213 - 243
3	4	ARG	VAL	C	C	213 - 243	213 - 243
4	4	ARG	VAL	D	D	213 - 243	213 - 243
1	5	GLU	ALA	A	A	244 - 269	244 - 269
2	5	GLU	ALA	C	C	244 - 269	244 - 269
3	5	GLU	ALA	D	D	244 - 269	244 - 269
4	5	GLU	ALA	B	B	244 - 269	244 - 269
1	6	SER	PHE	A	A	270 - 378	270 - 378
2	6	SER	PHE	B	B	270 - 378	270 - 378
3	6	SER	PHE	C	C	270 - 378	270 - 378
4	6	SER	PHE	D	D	270 - 378	270 - 378
1	7	SER	MSE	A	A	379 - 384	379 - 384
2	7	SER	MSE	B	B	379 - 384	379 - 384
3	7	SER	MSE	C	C	379 - 384	379 - 384
4	7	SER	MSE	D	D	379 - 384	379 - 384
1	8	ALA	GLY	A	A	385 - 406	385 - 406
2	8	ALA	GLY	B	B	385 - 406	385 - 406
3	8	ALA	GLY	C	C	385 - 406	385 - 406
4	8	ALA	GLY	D	D	385 - 406	385 - 406

NCS ensembles :

ID
1
2
3
4
5
6
7
8

#1: Protein	Mlc protein / Making large colonies protein Mass: 44815.840 Da / Num. of mol.: 4 / Mutation: R52H Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Gene: mlc / Plasmid: pQE60 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): Bl21(DE3) / References: UniProt: P50456
#2: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn

#1: Protein

Mlc protein / Making large colonies protein

Mass: 44815.840 Da / Num. of mol.: 4 / Mutation: R52H
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Escherichia coli (E. coli) / Gene: mlc / Plasmid: pQE60 / Species (production host): Escherichia coli / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): Bl21(DE3) / References: UniProt: P50456

#2: Chemical

ChemComp-ZN / ZINC ION

Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3 Å³/Da / Density % sol: 58.5 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 1.6M MgSO4, 100mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

SLS

/ Beamline: X06SA / Wavelength: 0.97637, 0.97866

Detector

Type: MARRESEARCH / Detector: CCD / Date: Jul 5, 2004

Radiation

Monochromator: mirror / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	0.97637	1
2	0.97866	1

Reflection

Resolution: 2.7→20 Å / Num. all: 58112 / Num. obs: 57176 / % possible obs: 98.4 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 7 % / B_iso Wilson estimate: 66 Å² / R_sym value: 0.105 / Net I/σ(I): 12.2

Reflection shell

Resolution: 2.7→2.8 Å / Redundancy: 3.3 % / Mean I/σ(I) obs: 2 / Num. unique all: 5936 / R_sym value: 0.598 / % possible all: 93.6

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0005	refinement
MAR345		data collection
XDS		data scaling
SHELXD		phasing
SHARP		phasing
RESOLVE		phasing

Refinement

Method to determine structure:

MAD / Resolution: 2.7→19.94 Å / Cor.coef. F_o:F_c: 0.949 / Cor.coef. F_o:F_c free: 0.907 / SU B: 29.571 / SU ML: 0.276 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / ESU R: 0.701 / ESU R Free: 0.335 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.26265	2856	5 %	RANDOM
R_work	0.20266	-	-	-
all	0.20564	57155	-	-
obs	0.20564	54299	100 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK

Displacement parameters

B_iso mean: 71.517 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	1.08 Å²	0 Å²	1.72 Å²
2-	-	1.59 Å²	0 Å²
3-	-	-	-0.51 Å²

Refinement step

Cycle: LAST / Resolution: 2.7→19.94 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11724	0	4	0	11728

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.016	0.022	11912
X-RAY DIFFRACTION	r_angle_refined_deg	1.548	1.97	16148
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.615	5	1520
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	41.58	24.4	500
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	22.101	15	2108
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.854	15	72
X-RAY DIFFRACTION	r_chiral_restr	0.094	0.2	1928
X-RAY DIFFRACTION	r_gen_planes_refined	0.006	0.02	8760
X-RAY DIFFRACTION	r_nbd_refined	0.242	0.2	6019
X-RAY DIFFRACTION	r_nbtor_refined	0.316	0.2	8152
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.131	0.2	455
X-RAY DIFFRACTION	r_metal_ion_refined	0.044	0.2	3
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.27	0.2	62
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.228	0.2	6
X-RAY DIFFRACTION	r_mcbond_it	0.664	1.5	7705
X-RAY DIFFRACTION	r_mcangle_it	0.906	2	12196
X-RAY DIFFRACTION	r_scbond_it	1.477	3	4533
X-RAY DIFFRACTION	r_scangle_it	2.407	4.5	3952

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	403	medium positional	0.48	0.5
1	2	B	403	medium positional	0.37	0.5
1	3	C	403	medium positional	0.38	0.5
1	4	D	403	medium positional	0.44	0.5
2	1	A	958	medium positional	0.4	0.5
2	2	B	958	medium positional	0.43	0.5
2	3	C	958	medium positional	0.56	0.5
2	4	D	958	medium positional	0.6	0.5
3	1	A	129	medium positional	0.26	0.5
3	2	B	129	medium positional	0.37	0.5
3	3	C	129	medium positional	0.28	0.5
3	4	D	129	medium positional	0.48	0.5
4	1	A	223	medium positional	0.39	0.5
4	2	B	223	medium positional	0.7	0.5
4	3	C	223	medium positional	0.31	0.5
4	4	D	223	medium positional	0.34	0.5
5	1	A	198	medium positional	0.45	0.5
5	2	C	198	medium positional	0.38	0.5
5	3	D	198	medium positional	0.66	0.5
5	4	B	198	medium positional	0.64	0.5
6	1	A	820	medium positional	0.43	0.5
6	2	B	820	medium positional	0.43	0.5
6	3	C	820	medium positional	0.42	0.5
6	4	D	820	medium positional	0.39	0.5
7	1	A	42	medium positional	0.43	0.5
7	2	B	42	medium positional	0.84	0.5
7	3	C	42	medium positional	0.56	0.5
7	4	D	42	medium positional	1.42	0.5
8	1	A	158	medium positional	0.32	0.5
8	2	B	158	medium positional	0.34	0.5
8	3	C	158	medium positional	0.32	0.5
8	4	D	158	medium positional	0.43	0.5
1	1	A	403	medium thermal	0.67	5
1	2	B	403	medium thermal	1.05	5
1	3	C	403	medium thermal	0.56	5
1	4	D	403	medium thermal	0.62	5
2	1	A	958	medium thermal	1	5
2	2	B	958	medium thermal	1.65	5
2	3	C	958	medium thermal	1.43	5
2	4	D	958	medium thermal	1.2	5
3	1	A	129	medium thermal	1.18	5
3	2	B	129	medium thermal	1.39	5
3	3	C	129	medium thermal	0.98	5
3	4	D	129	medium thermal	1.42	5
4	1	A	223	medium thermal	0.98	5
4	2	B	223	medium thermal	1.65	5
4	3	C	223	medium thermal	1.09	5
4	4	D	223	medium thermal	1.37	5
5	1	A	198	medium thermal	1.45	5
5	2	C	198	medium thermal	1.78	5
5	3	D	198	medium thermal	3.9	5
5	4	B	198	medium thermal	2.15	5
6	1	A	820	medium thermal	2.18	5
6	2	B	820	medium thermal	1.95	5
6	3	C	820	medium thermal	1.5	5
6	4	D	820	medium thermal	1.77	5
7	1	A	42	medium thermal	1.56	5
7	2	B	42	medium thermal	2.79	5
7	3	C	42	medium thermal	1.06	5
7	4	D	42	medium thermal	1.05	5
8	1	A	158	medium thermal	0.9	5
8	2	B	158	medium thermal	1.07	5
8	3	C	158	medium thermal	0.73	5
8	4	D	158	medium thermal	0.85	5

LS refinement shell

Resolution: 2.7→2.769 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.351	189	-
R_work	0.333	3645	-
obs	-	-	100 %

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	7.2188	-1.919	0.5186	16.5893	-0.2398	0.788	-0.4416	0.9194	2.544	-0.4781	0.604	0.8563	-1.673	0.4289	-0.1625	0.6864	0.0403	0.1799	0.5488	0.4113	1.2913	44.9997	7.7406	-13.8049
2	17.394	0.185	-7.781	4.1072	1.8794	7.3698	-0.1456	-0.3621	-0.3742	-0.3812	-0.3041	-0.7215	-0.1849	0.7492	0.4496	-0.2838	-0.0564	0.09	-0.1219	0.1612	0.1046	49.2562	18.7888	15.2822
3	11.0451	3.8239	-1.0139	9.9002	3.3489	6.9668	-0.3575	0.8868	-1.542	-0.1278	0.1363	1.381	0.5845	-1.2244	0.2212	-0.0732	-0.3338	-0.0646	0.5715	-0.099	0.5189	-37.0764	-42.7241	68.6829
4	9.7662	2.2833	-4.8367	5.0773	-0.831	2.4152	-1.016	-0.4442	-0.3438	-0.0855	0.2888	0.3337	0.8306	-0.1562	0.7272	0.531	-0.0766	0.4579	0.2801	-0.0224	0.8921	-30.8428	-62.4923	57.3944
5	14.1823	1.0165	-3.2494	5.3401	-1.1977	8.7058	-0.3823	0.6187	-1.2981	-0.1968	0.2642	-0.0935	0.5611	-0.2656	0.1181	-0.3142	0.028	0.0813	0.0688	-0.1283	0.0665	45.9791	-20.9008	-6.89
6	5.5351	0.1239	0.9393	4.7519	0.7202	4.4029	0.0655	-0.0781	0.3733	-0.0553	-0.1978	0.3361	-0.3418	-0.3148	0.1323	-0.2651	0.037	-0.0019	-0.4571	0.0042	-0.3357	20.3602	21.4104	20.0249
7	11.8814	-0.6147	2.6066	3.9494	1.2394	9.4045	-0.1048	0.8516	-0.0136	-0.0621	0.0786	-0.098	0.1989	0.0689	0.0263	-0.2502	-0.0196	-0.0791	-0.2918	0.0537	-0.3112	-12.5783	-28.1627	75.7172
8	4.3344	-1.3102	-3.0063	4.8377	-0.9233	7.4842	-0.5717	1.4509	-0.6499	-1.0787	0.0408	0.986	1.0385	-1.5275	0.5309	0.4244	-0.4209	-0.1209	0.6774	-0.36	0.5234	-25.4505	-54.8463	29.1501
9	3.8365	1.3313	-0.2396	4.0157	-0.3244	3.6512	-0.1033	0.5402	-0.2809	-0.3711	0.0505	-0.2413	0.3384	-0.0106	0.0528	-0.3049	0.045	0.0096	-0.284	-0.0665	-0.3339	18.583	-18.0304	1.3447
10	3.3271	1.1701	0.2572	3.4131	0.5109	2.7439	0.1611	-0.1441	-0.0086	0.3943	-0.246	-0.0465	0.114	-0.2209	0.0849	-0.3332	-0.0574	-0.0583	-0.4281	-0.0111	-0.2917	18.7888	-4.5501	25.6745
11	4.9645	0.1313	-2.6987	3.4774	-0.2931	4.2849	0.71	-0.153	0.8493	0.1004	0.029	0.2591	-0.8839	-0.2821	-0.739	0.0138	-0.0189	0.1578	0.0001	0.0051	-0.123	-13.2357	-16.6846	50.0584
12	4.8986	0.9149	-4.4466	2.4629	-1.1226	9.9359	-0.0365	0.2957	-0.0855	0.0276	0.0417	0.1742	0.3374	-0.9836	-0.0052	-0.151	-0.0288	-0.1601	-0.3671	-0.013	-0.2574	-3.8659	-35.9654	32.3682
13	10.0491	6.0347	-6.8478	26.4916	-2.1751	4.8305	-0.6087	1.2819	2.068	-0.5724	1.1152	0.8781	-0.8013	-0.0183	-0.5064	-0.012	0.1613	0.1716	0.0562	0.2015	0.3023	44.75	-7.2083	-8.5446
14	16.3782	1.5043	-8.234	3.9127	1.3174	7.2389	0.3387	0.5973	0.1506	-0.4386	-0.1804	-0.6246	-0.8305	0.2257	-0.1583	-0.2901	-0.0795	-0.0062	-0.3013	0.0025	-0.204	33.8059	18.3616	16.9996
15	20.3737	11.9327	2.2214	8.1991	4.464	8.5086	-0.0339	0.9923	-1.2176	0.0985	0.6529	0.756	0.2034	-0.7391	-0.619	-0.1388	-0.1348	-0.0255	0.1354	-0.0946	-0.0012	-23.5806	-35.5085	70.8703
16	7.6641	-5.3761	-0.0789	5.2841	-0.9764	0.7044	-0.7941	1.0083	-2.0077	0.8339	0.2244	0.4262	0.7079	-0.6666	0.5697	0.5805	-0.2321	0.2429	0.6603	-0.3154	0.5102	-27.0889	-56.2638	43.0193

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	X-RAY DIFFRACTION	1	A	A	12 - 63	12 - 63
2	X-RAY DIFFRACTION	2	B	B	12 - 63	12 - 63
3	X-RAY DIFFRACTION	3	C	C	12 - 63	12 - 63
4	X-RAY DIFFRACTION	4	D	D	12 - 63	12 - 63
5	X-RAY DIFFRACTION	5	A	A	77 - 194	77 - 194
6	X-RAY DIFFRACTION	6	B	B	77 - 194	77 - 194
7	X-RAY DIFFRACTION	7	C	C	77 - 194	77 - 194
8	X-RAY DIFFRACTION	8	D	D	77 - 194	77 - 194
9	X-RAY DIFFRACTION	9	A	A	195 - 380	195 - 380
10	X-RAY DIFFRACTION	10	B	B	195 - 380	195 - 380
11	X-RAY DIFFRACTION	11	C	C	195 - 380	195 - 380
12	X-RAY DIFFRACTION	12	D	D	195 - 380	195 - 380
13	X-RAY DIFFRACTION	13	A	A	381 - 406	381 - 406
14	X-RAY DIFFRACTION	14	B	B	381 - 406	381 - 406
15	X-RAY DIFFRACTION	15	C	C	381 - 406	381 - 406
16	X-RAY DIFFRACTION	16	D	D	381 - 406	381 - 406

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