PDB-6dwf: Crystal structure of complex of BBKI mutant, L55R with Bovine Trypsin

ID or keywords:

Entry

Database: PDB / ID: 6dwf

Title

Crystal structure of complex of BBKI mutant, L55R with Bovine Trypsin

Components

Cationic trypsin
Kunitz-type inihibitor

Keywords

HYDROLASE

Function / homology

Function and homology information

endopeptidase inhibitor activity /

trypsin /

serpin family protein binding /

serine protease inhibitor complex /

digestion /

endopeptidase activity / serine-type endopeptidase activity /

proteolysis /

extracellular space /

metal ion binding
Similarity search - Function

Biological species

Bauhinia bauhinioides (plant)

Bos taurus (cattle)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.94 Å

Authors

Li, M. / Wlodawer, A. / Gustchina, A.

Citation

Journal: Acta Crystallogr D Struct Biol / Year: 2019
Title: Crystal structures of the complex of a kallikrein inhibitor from Bauhinia bauhinioides with trypsin and modeling of kallikrein complexes.
Authors: Li, M. / Srp, J. / Gustchina, A. / Dauter, Z. / Mares, M. / Wlodawer, A.

History

Deposition	Jun 26, 2018	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jan 30, 2019	Provider: repository / Type: Initial release
Revision 1.1	Oct 11, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	6dwf.cif.gz	885.1 KB	Display	PDBx/mmCIF format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/dw/6dwf ftp://data.pdbj.org/pub/pdb/validation_reports/dw/6dwf	HTTPS FTP

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Related structure data

Related structure data	6dwhC 6dwuC 4na1S S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6dwu-14 6dwu-37 6dwu-25 6dwu-9 6dwu-15 6dwu-42 6dwu-1 6dwu-33 6dwu-38 6dwu-44 6dwu-36 5jkq-1 1ori-d 6dwu-24 6dwu-18 6dwu-21 1or8-d 6dwu-41 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) 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

Related structure data

6dwhC

6dwuC

4na1S

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#46 - Oct 2003 Trypsin similarity (2) #53 - May 2004 Serpins similarity (2)

Deposited unit

A: Cationic trypsin

G: Kunitz-type inihibitor

B: Cationic trypsin

C: Cationic trypsin

D: Cationic trypsin

E: Cationic trypsin

F: Cationic trypsin

H: Kunitz-type inihibitor

I: Kunitz-type inihibitor

J: Kunitz-type inihibitor

K: Kunitz-type inihibitor

L: Kunitz-type inihibitor

252 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Cationic trypsin

G: Kunitz-type inihibitor

defined by author&software
Evidence: gel filtration, The peak coressponding to 43 K
42 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Cationic trypsin

H: Kunitz-type inihibitor

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

3

C: Cationic trypsin

I: Kunitz-type inihibitor

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

4

D: Cationic trypsin

J: Kunitz-type inihibitor

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

5

E: Cationic trypsin

K: Kunitz-type inihibitor

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

6

F: Cationic trypsin

L: Kunitz-type inihibitor

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

Unit cell

Length a, b, c (Å)	207.303, 207.303, 107.167
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	172
Space group name H-M	P6₄

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: 0 / Refine code: 0

Dom-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	ILE	ILE	ASN	ASN	A	A	16 - 245	1 - 223
2	1	ILE	ILE	ASN	ASN	B	C	16 - 245	1 - 223
1	2	ILE	ILE	ASN	ASN	A	A	16 - 245	1 - 223
2	2	ILE	ILE	ASN	ASN	C	D	16 - 245	1 - 223
1	3	ILE	ILE	ASN	ASN	A	A	16 - 245	1 - 223
2	3	ILE	ILE	ASN	ASN	D	E	16 - 245	1 - 223
1	4	ILE	ILE	ASN	ASN	A	A	16 - 245	1 - 223
2	4	ILE	ILE	ASN	ASN	E	F	16 - 245	1 - 223
1	5	ILE	ILE	ASN	ASN	A	A	16 - 245	1 - 223
2	5	ILE	ILE	ASN	ASN	F	G	16 - 245	1 - 223
1	6	SER	SER	THR	THR	G	B	1 - 163	7 - 169
2	6	SER	SER	THR	THR	H	H	1 - 163	7 - 169
1	7	SER	SER	THR	THR	G	B	1 - 163	7 - 169
2	7	SER	SER	THR	THR	I	I	1 - 163	7 - 169
1	8	SER	SER	THR	THR	G	B	1 - 163	7 - 169
2	8	SER	SER	THR	THR	J	J	1 - 163	7 - 169
1	9	SER	SER	THR	THR	G	B	1 - 163	7 - 169
2	9	SER	SER	THR	THR	K	K	1 - 163	7 - 169
1	10	SER	SER	THR	THR	G	B	1 - 163	7 - 169
2	10	SER	SER	THR	THR	L	L	1 - 163	7 - 169
1	11	ILE	ILE	ASN	ASN	B	C	16 - 245	1 - 223
2	11	ILE	ILE	ASN	ASN	C	D	16 - 245	1 - 223
1	12	ILE	ILE	ASN	ASN	B	C	16 - 245	1 - 223
2	12	ILE	ILE	ASN	ASN	D	E	16 - 245	1 - 223
1	13	ILE	ILE	ASN	ASN	B	C	16 - 245	1 - 223
2	13	ILE	ILE	ASN	ASN	E	F	16 - 245	1 - 223
1	14	ILE	ILE	ASN	ASN	B	C	16 - 245	1 - 223
2	14	ILE	ILE	ASN	ASN	F	G	16 - 245	1 - 223
1	15	ILE	ILE	ASN	ASN	C	D	16 - 245	1 - 223
2	15	ILE	ILE	ASN	ASN	D	E	16 - 245	1 - 223
1	16	ILE	ILE	ASN	ASN	C	D	16 - 245	1 - 223
2	16	ILE	ILE	ASN	ASN	E	F	16 - 245	1 - 223
1	17	ILE	ILE	ASN	ASN	C	D	16 - 245	1 - 223
2	17	ILE	ILE	ASN	ASN	F	G	16 - 245	1 - 223
1	18	ILE	ILE	ASN	ASN	D	E	16 - 245	1 - 223
2	18	ILE	ILE	ASN	ASN	E	F	16 - 245	1 - 223
1	19	ILE	ILE	ASN	ASN	D	E	16 - 245	1 - 223
2	19	ILE	ILE	ASN	ASN	F	G	16 - 245	1 - 223
1	20	ILE	ILE	ASN	ASN	E	F	16 - 245	1 - 223
2	20	ILE	ILE	ASN	ASN	F	G	16 - 245	1 - 223
1	21	SER	SER	THR	THR	H	H	1 - 163	7 - 169
2	21	SER	SER	THR	THR	I	I	1 - 163	7 - 169
1	22	SER	SER	THR	THR	H	H	1 - 163	7 - 169
2	22	SER	SER	THR	THR	J	J	1 - 163	7 - 169
1	23	SER	SER	THR	THR	H	H	1 - 163	7 - 169
2	23	SER	SER	THR	THR	K	K	1 - 163	7 - 169
1	24	SER	SER	THR	THR	H	H	1 - 163	7 - 169
2	24	SER	SER	THR	THR	L	L	1 - 163	7 - 169
1	25	SER	SER	THR	THR	I	I	1 - 163	7 - 169
2	25	SER	SER	THR	THR	J	J	1 - 163	7 - 169
1	26	SER	SER	THR	THR	I	I	1 - 163	7 - 169
2	26	SER	SER	THR	THR	K	K	1 - 163	7 - 169
1	27	SER	SER	THR	THR	I	I	1 - 163	7 - 169
2	27	SER	SER	THR	THR	L	L	1 - 163	7 - 169
1	28	SER	SER	THR	THR	J	J	1 - 163	7 - 169
2	28	SER	SER	THR	THR	K	K	1 - 163	7 - 169
1	29	SER	SER	THR	THR	J	J	1 - 163	7 - 169
2	29	SER	SER	THR	THR	L	L	1 - 163	7 - 169
1	30	SER	SER	THR	THR	K	K	1 - 163	7 - 169
2	30	SER	SER	THR	THR	L	L	1 - 163	7 - 169

NCS ensembles :

#1: Protein	Cationic trypsin / Beta-trypsin Mass: 23324.287 Da / Num. of mol.: 6 / Fragment: residues 24-246 / Source method: isolated from a natural source / Source: (natural) Bos taurus (cattle) / References: UniProt: P00760, trypsin
#2: Protein	Kunitz-type inihibitor Mass: 18712.182 Da / Num. of mol.: 6 / Fragment: residues 19-181 / Mutation: L55R Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bauhinia bauhinioides (plant) / Production host: Escherichia coli (E. coli) / References: UniProt: Q6VEQ7
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 1636 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.7 Å³/Da / Density % sol: 54.52 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 1.6M Ammonium Sulfate, 0.1M Sodium Citrate at pH 4.2

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 22-ID / Wavelength: 1 Å

Detector

Type: RAYONIX MX300-HS / Detector: CCD / Date: Nov 15, 2017

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1 Å / Relative weight: 1

Reflection twin

Crystal-ID	ID	Operator	Domain-ID	Fraction
1	1	H, K, L	1	0.492
1	1	-K, -H, -L	2	0.508

Reflection

Resolution: 1.94→50 Å / Num. obs: 189147 / % possible obs: 98.2 % / Observed criterion σ(I): -3 / Redundancy: 10.1 % / CC_1/2: 0.9545 / R_merge(I) obs: 0.092 / R_pim(I) all: 0.024 / R_rim(I) all: 0.081 / R_sym value: 0.077 / Net I/σ(I): 26.5

Reflection shell

Resolution: 1.94→1.97 Å / Redundancy: 2.3 % / R_merge(I) obs: 1.183 / Num. unique all: 15175 / Num. unique obs: 7121 / R_pim(I) all: 0.795 / R_rim(I) all: 1.412 / R_sym value: 1.151 / % possible all: 74.1

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0189	refinement
PDB_EXTRACT	3.24	data extraction
HKL-2000		data reduction
HKL-2000		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4NA1

4na1

Resolution: 1.94→49.79 Å / Cor.coef. F_o:F_c: 0.943 / Cor.coef. F_o:F_c free: 0.927 / SU B: 4.825 / SU ML: 0.083 / Cross valid method: THROUGHOUT / ESU R: 0.039 / ESU R Free: 0.033 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.22294	1622	1 %	RANDOM
R_work	0.19636	-	-	-
obs	0.19662	168232	88.31 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å

Displacement parameters

B_iso mean: 25.142 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.52 Å²	-0 Å²	-0 Å²
2-	-	-0.52 Å²	-0 Å²
3-	-	-	1.04 Å²

Refinement step

Cycle: 1 / Resolution: 1.94→49.79 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	17352	0	0	1636	18988

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.009	0.019	17790
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	16224
X-RAY DIFFRACTION	r_angle_refined_deg	1.439	1.955	24114
X-RAY DIFFRACTION	r_angle_other_deg	1.139	3	37902
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.827	5	2286
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	38.104	24.87	690
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.707	15	2910
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	15.696	15	60
X-RAY DIFFRACTION	r_chiral_restr	0.084	0.2	2688
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.021	19728
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	3348
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	1.169	1.522	9234
X-RAY DIFFRACTION	r_mcbond_other	1.168	1.522	9233
X-RAY DIFFRACTION	r_mcangle_it	2.109	2.277	11472
X-RAY DIFFRACTION	r_mcangle_other	2.109	2.277	11473
X-RAY DIFFRACTION	r_scbond_it	0.929	1.632	8555
X-RAY DIFFRACTION	r_scbond_other	0.929	1.632	8556
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	1.621	2.403	12636
X-RAY DIFFRACTION	r_long_range_B_refined	5.427	18.746	19771
X-RAY DIFFRACTION	r_long_range_B_other	5.426	18.748	19772
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 / Type: interatomic distance / Weight position: 0.05

Ens-ID	Dom-ID	Auth asym-ID	Number	Rms dev position (Å)
1	1	A	13932	0.01
1	2	B	13932	0.01
2	1	A	13934	0.03
2	2	C	13934	0.03
3	1	A	13942	0.02
3	2	D	13942	0.02
4	1	A	13950	0.01
4	2	E	13950	0.01
5	1	A	13918	0.02
5	2	F	13918	0.02
6	1	G	10118	0.02
6	2	H	10118	0.02
7	1	G	10138	0.02
7	2	I	10138	0.02
8	1	G	10102	0.02
8	2	J	10102	0.02
9	1	G	10124	0.02
9	2	K	10124	0.02
10	1	G	10128	0.02
10	2	L	10128	0.02
11	1	B	13928	0.02
11	2	C	13928	0.02
12	1	B	13978	0
12	2	D	13978	0
13	1	B	13946	0.01
13	2	E	13946	0.01
14	1	B	13976	0.01
14	2	F	13976	0.01
15	1	C	13950	0.02
15	2	D	13950	0.02
16	1	C	13956	0.02
16	2	E	13956	0.02
17	1	C	13940	0.02
17	2	F	13940	0.02
18	1	D	13954	0.01
18	2	E	13954	0.01
19	1	D	13988	0
19	2	F	13988	0
20	1	E	13938	0.01
20	2	F	13938	0.01
21	1	H	10116	0.02
21	2	I	10116	0.02
22	1	H	10124	0.02
22	2	J	10124	0.02
23	1	H	10086	0.02
23	2	K	10086	0.02
24	1	H	10150	0.02
24	2	L	10150	0.02
25	1	I	10092	0.02
25	2	J	10092	0.02
26	1	I	10116	0.02
26	2	K	10116	0.02
27	1	I	10120	0.02
27	2	L	10120	0.02
28	1	J	10108	0.02
28	2	K	10108	0.02
29	1	J	10122	0.02
29	2	L	10122	0.02
30	1	K	10090	0.02
30	2	L	10090	0.02

LS refinement shell

Resolution: 1.943→1.994 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.405	4	-
R_work	0.266	332	-
obs	-	-	2.36 %

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	0.6748	0.3745	0.1106	0.6825	-0.1653	0.4992	-0.1033	-0.1126	0.048	-0.1581	0.046	0.0738	0.0687	0.0036	0.0573	0.1165	-0.0088	0.0409	0.0612	0.0152	0.0747	91.5108	84.402	80.7363
2	0.8244	0.5324	0.4172	3.3911	-0.2126	0.5678	0.2013	0.0003	-0.1222	-0.0741	-0.2366	-0.2023	0.072	0.0021	0.0353	0.1018	-0.012	-0.0144	0.073	-0.0341	0.0673	130.8404	60.9316	87.1032
3	1.0077	0.4458	-0.2035	0.5843	0.1694	0.4524	-0.1413	-0.1248	0.0248	-0.1921	0.0618	-0.0174	-0.0732	0.0056	0.0795	0.1436	-0.0289	-0.0447	0.0925	-0.0456	0.0712	115.845	35.6215	80.723
4	0.571	0.2394	-0.1549	2.2338	0.1616	0.3508	0.1468	0.0197	0.0576	-0.0626	-0.1372	0.1536	-0.0337	0.0009	-0.0096	0.1042	-0.0263	0.0031	0.0575	0.0211	0.0567	76.7231	59.0213	87.0571
5	0.2055	0.4661	0.2184	1.6225	0.2212	0.8003	0.1303	-0.0876	0.0237	0.1814	-0.2487	-0.036	0.068	-0.0867	0.1184	0.1254	-0.0433	0.0229	0.0964	-0.0425	0.0506	27.2469	1.8685	85.4658
6	1.7299	1.7285	0.3485	2.7441	-0.3825	0.9822	-0.0734	-0.1263	0.218	-0.2001	0.0699	0.2371	0.0229	-0.0416	0.0035	0.0794	-0.0365	0.0062	0.0869	-0.0211	0.0335	-12.7039	23.6617	79.1517
7	0.6859	0.2093	-0.1298	1.5736	0.4195	0.3315	-0.0668	-0.0899	0.0541	-0.0755	0.1042	-0.0587	0.0183	0.0603	-0.0374	0.1067	-0.0017	0.0199	0.0346	0.0012	0.0399	112.4596	106.9238	82.0236
8	1.425	0.8974	-0.7542	1.4685	-0.5514	0.898	0.093	0.0166	0.1515	0.096	-0.0522	-0.0516	-0.049	0.0046	-0.0408	0.0502	-0.0178	-0.0028	0.0614	0.0016	0.094	139.799	90.2185	85.008
9	0.772	0.3188	0.0717	1.7593	-0.5811	0.5149	-0.1176	-0.1067	-0.0929	-0.0779	0.1381	0.0605	0.0255	-0.033	-0.0205	0.1102	0.0014	-0.0048	0.0619	0.0042	0.0723	95.0519	13.0121	82.3477
10	1.1767	0.7259	0.6944	0.8394	0.556	0.9897	0.1152	0.0024	-0.0919	0.155	-0.0492	-0.0153	0.0379	-0.0118	-0.066	0.0455	-0.0288	0.0004	0.0493	0.0058	0.078	67.6179	29.7614	84.6691
11	1.2486	0.4868	-0.15	1.3258	-0.0731	0.045	0.0706	0.031	0.0504	0.029	-0.0851	-0.1207	0.0277	-0.0317	0.0145	0.0579	-0.0449	0.02	0.1041	-0.01	0.0331	36.3723	31.2127	84.2793
12	0.6216	0.5509	0.1258	2.0901	0.3944	0.6469	-0.0744	0.0497	0.0534	-0.0733	0.0509	-0.0523	-0.0182	-0.0247	0.0236	0.09	-0.0117	-0.0024	0.0071	0.0031	0.0309	7.9758	46.2373	81.6604

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	16 - 245
2	X-RAY DIFFRACTION	2	B	16 - 245
3	X-RAY DIFFRACTION	3	C	16 - 245
4	X-RAY DIFFRACTION	4	D	16 - 245
5	X-RAY DIFFRACTION	5	E	16 - 245
6	X-RAY DIFFRACTION	6	F	16 - 245
7	X-RAY DIFFRACTION	7	G	1 - 163
8	X-RAY DIFFRACTION	8	H	1 - 163
9	X-RAY DIFFRACTION	9	I	1 - 163
10	X-RAY DIFFRACTION	10	J	1 - 163
11	X-RAY DIFFRACTION	11	K	1 - 163
12	X-RAY DIFFRACTION	12	L	1 - 163

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