PDB-4un4: Crystal structure of Cas9 bound to PAM-containing DNA target with...

ID or keywords:

Entry

Database: PDB / ID: 4un4

Title

Crystal structure of Cas9 bound to PAM-containing DNA target with mismatches at positions 1-2

Components

(TARGET DNA STRAND ...) x 2
CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1
NON-TARGET DNA STRAND
SGRNA

Keywords

HYDROLASE/DNA/RNA / HYDROLASE-DNA-RNA COMPLEX / GENOME EDITING / RNP / PROTEIN-RNA COMPLEX

Function / homology

Function and homology information

maintenance of CRISPR repeat elements / 3'-5' exonuclease activity / DNA endonuclease activity / defense response to virus / Hydrolases; Acting on ester bonds / DNA binding / RNA binding / metal ion binding
Similarity search - Function

Biological species

STREPTOCOCCUS PYOGENES (bacteria)
SYNTHETIC CONSTRUCT (others)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.371 Å

Authors

Anders, C. / Niewoehner, O. / Duerst, A. / Jinek, M.

Citation

Journal: Nature / Year: 2014
Title: Structural Basis of Pam-Dependent Target DNA Recognition by the Cas9 Endonuclease
Authors: Anders, C. / Niewoehner, O. / Duerst, A. / Jinek, M.

History

Deposition	May 25, 2014	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jul 23, 2014	Provider: repository / Type: Initial release
Revision 1.1	Aug 13, 2014	Group: Database references
Revision 1.2	Oct 1, 2014	Group: Database references
Revision 1.3	Jan 10, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_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.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_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.pdbx_dist_value / _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_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	4un4.cif.gz	676.7 KB	Display	PDBx/mmCIF format
PDB format	pdb4un4.ent.gz	549 KB	Display	PDB format
PDBx/mmJSON format	4un4.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	4un4_validation.pdf.gz	489.1 KB	Display	wwPDB validaton report
Full document	4un4_full_validation.pdf.gz	514.7 KB	Display
Data in XML	4un4_validation.xml.gz	56.4 KB	Display
Data in CIF	4un4_validation.cif.gz	82.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/un/4un4 ftp://data.pdbj.org/pub/pdb/validation_reports/un/4un4	HTTPS FTP

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Related structure data

Related structure data	4un3SC 4un5C S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6k57-d 5b2t-d 5fw1-d 5fq5-d 5b2r-d 5fw3-d 6k4q-d 4un3-d 5fw2-d 4un5-d 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
Related items in Molecule of the Month	#181 - Jan 2015 Cascade and CRISPR similarity (14) #253 - Jan 2021 Expressome similarity (2) #121 - Jan 2010 70S Ribosomes similarity (1) #130 - Oct 2010 Riboswitches similarity (1) #16 - Apr 2001 Aminoacyl-tRNA Synthetases similarity (1) #67 - Jul 2005 TATA-Binding Protein similarity (1) #157 - Jan 2013 Transfer-Messenger RNA similarity (1) #168 - Dec 2013 DNA Helicase similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1) #87 - Mar 2007 Zinc Fingers similarity (2) #91 - Jul 2007 Thymine Dimers similarity (1) #229 - Jan 2019 Fluorescent RNA Aptamers similarity (1) #260 - Aug 2021 Ribonuclease P similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #227 - Nov 2018 Telomerase similarity (2) #146 - Feb 2012 Aminoglycoside Antibiotics similarity (1) #15 - Mar 2001 Transfer RNA similarity (1) #249 - Sep 2020 SARS-CoV-2 RNA-dependent RNA Polymerase similarity (1) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #135 - Mar 2011 Integrase similarity (1) #150 - Jun 2012 Sliding Clamps similarity (1) #180 - Dec 2014 TAL Effectors similarity (1) #48 - Dec 2003 Catabolite Activator Protein similarity (1) #84 - Dec 2006 Transposase similarity (1) #10 - Oct 2000 Ribosome similarity (1) #210 - Jun 2017 Adenine Riboswitch in Action similarity (1) #139 - Jul 2011 DNA Methyltransferase similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #3 - Mar 2000 DNA Polymerase similarity (1) #40 - Apr 2003 RNA Polymerase similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #105 - Sep 2008 Ribonuclease A similarity (1) #226 - Oct 2018 Aminoglycoside Antibiotics and Resistance similarity (1) #245 - May 2020 Spliceosomes similarity (1) #262 - Oct 2021 Fifty Years of Open Access to PDB Structures similarity (1) #65 - May 2005 Self-splicing RNA similarity (1) #98 - Feb 2008 Small Interfering RNA similarity (1) #119 - Nov 2009 Designed DNA Crystal similarity (1) #125 - May 2010 Parvoviruses similarity (1) #131 - Nov 2010 Inteins similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #190 - Oct 2015 Two-component Systems similarity (1) #23 - Nov 2001 DNA similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #33 - Sep 2002 HIV Reverse Transcriptase similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #45 - Sep 2003 Estrogen Receptor similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #7 - Jul 2000 Nucleosome similarity (1) #8 - Aug 2000 Restriction Enzymes similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #104 - Aug 2008 Selenocysteine Synthase similarity (1) #106 - Oct 2008 Poly(A) Polymerase similarity (1) #143 - Nov 2011 Toll-like Receptors similarity (1) #161 - May 2013 Ricin similarity (1) #230 - Feb 2019 Initiation Factor eIF4E similarity (1) #266 - Feb 2022 Oligosaccharyltransferase similarity (1) #81 - Sep 2006 Elongation Factors similarity (1) #89 - May 2007 Aconitase and Iron Regulatory Protein 1 similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (2)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

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Deposited unit

A: SGRNA

B: CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1

C: TARGET DNA STRAND PROXIMAL FRAGMENT

D: NON-TARGET DNA STRAND

E: TARGET DNA STRAND DISTAL FRAGMENT

hetero molecules

198 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by software

Unit cell

Length a, b, c (Å)	177.780, 66.816, 186.834
Angle α, β, γ (deg.)	90.00, 111.39, 90.00
Int Tables number	5
Space group name H-M	C121

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TARGET DNA STRAND ... , 2 types, 2 molecules CE

#3: DNA chain	TARGET DNA STRAND PROXIMAL FRAGMENT Mass: 3286.189 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) SYNTHETIC CONSTRUCT (others)
#5: DNA chain	TARGET DNA STRAND DISTAL FRAGMENT Mass: 5215.419 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) SYNTHETIC CONSTRUCT (others)

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RNA chain / Protein / DNA chain , 3 types, 3 molecules ABD

#1: RNA chain	SGRNA Mass: 26788.984 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) SYNTHETIC CONSTRUCT (others)
#2: Protein	CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1 Mass: 158875.031 Da / Num. of mol.: 1 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) STREPTOCOCCUS PYOGENES (bacteria) / Strain: M1 / Plasmid: PEC-K-MBP / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): ROSETTA 2 References: UniProt: Q99ZW2, Hydrolases; Acting on ester bonds
#4: DNA chain	NON-TARGET DNA STRAND Mass: 3419.243 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) SYNTHETIC CONSTRUCT (others)

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Non-polymers , 2 types, 695 molecules

#6: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Mg
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 687 / Source method: isolated from a natural source / Formula: H₂O

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Details

Sequence details	N-TERMINAL GAAS SEQUENCE IS DERIVED FROM EXPRESSION PLASMID. H840A MUTATION WAS INTRODUCED TO ...N-TERMINAL GAAS SEQUENCE IS DERIVED FROM EXPRESSION PLASMID. H840A MUTATION WAS INTRODUCED TO INACTIVATE THE HNH DOMAIN. D10A MUTATION WAS INTRODUCED TO INACTIVATE THE RUVC DOMAIN.

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.68 Å³/Da / Density % sol: 54.1 % / Description: NONE
Crystal grow	pH: 8.5 Details: 0.1 M TRIS-ACETATE, PH 8.5, 0.3 M KSCN, 15% (W/V) PEG 3350

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1
Detector	Type: DECTRIS PILATUS / Detector: PIXEL / Date: May 10, 2014
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.37→47.49 Å / Num. obs: 160249 / % possible obs: 99.1 % / Observed criterion σ(I): 2 / Redundancy: 6.8 % / R_merge(I) obs: 0.1 / Net I/σ(I): 16.5
Reflection shell	Resolution: 2.37→2.46 Å / Redundancy: 6.3 % / R_merge(I) obs: 0.81 / Mean I/σ(I) obs: 2.2 / % possible all: 91.5

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
XDS		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4UN3

4un3

Resolution: 2.371→47.493 Å / SU ML: 0.36 / σ(F): 1.3 / Phase error: 27.38 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2481	8029	5 %
R_work	0.2169	-	-
obs	0.2185	160249	98.72 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 2.371→47.493 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10716	2503	8	687	13914

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.013	13721
X-RAY DIFFRACTION	f_angle_d	0.694	19015
X-RAY DIFFRACTION	f_dihedral_angle_d	15.884	5549
X-RAY DIFFRACTION	f_chiral_restr	0.045	2169
X-RAY DIFFRACTION	f_plane_restr	0.002	1994

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 (%)
2.3709-2.3979	0.4068	188	0.3419	3607	X-RAY DIFFRACTION	70
2.3979-2.4261	0.3481	264	0.3096	5039	X-RAY DIFFRACTION	99
2.4261-2.4557	0.3532	268	0.312	5039	X-RAY DIFFRACTION	99
2.4557-2.4868	0.3452	274	0.309	5152	X-RAY DIFFRACTION	99
2.4868-2.5195	0.3422	268	0.3056	5083	X-RAY DIFFRACTION	99
2.5195-2.554	0.3321	272	0.3119	5140	X-RAY DIFFRACTION	100
2.554-2.5905	0.3624	282	0.3102	5070	X-RAY DIFFRACTION	100
2.5905-2.6291	0.3665	275	0.2935	5180	X-RAY DIFFRACTION	100
2.6291-2.6702	0.3117	265	0.2819	5120	X-RAY DIFFRACTION	100
2.6702-2.714	0.3432	269	0.2872	5156	X-RAY DIFFRACTION	100
2.714-2.7608	0.3638	236	0.2862	5084	X-RAY DIFFRACTION	100
2.7608-2.811	0.3127	281	0.2668	5164	X-RAY DIFFRACTION	100
2.811-2.865	0.3096	302	0.2744	5126	X-RAY DIFFRACTION	100
2.865-2.9235	0.3156	261	0.2699	5169	X-RAY DIFFRACTION	100
2.9235-2.9871	0.3075	272	0.2681	5074	X-RAY DIFFRACTION	100
2.9871-3.0566	0.2717	270	0.2602	5234	X-RAY DIFFRACTION	100
3.0566-3.133	0.3152	284	0.2604	5016	X-RAY DIFFRACTION	100
3.133-3.2177	0.3078	245	0.2417	5151	X-RAY DIFFRACTION	100
3.2177-3.3123	0.2544	295	0.2304	5171	X-RAY DIFFRACTION	100
3.3123-3.4192	0.2563	255	0.2222	5139	X-RAY DIFFRACTION	100
3.4192-3.5414	0.2459	279	0.2126	5156	X-RAY DIFFRACTION	100
3.5414-3.6831	0.2246	266	0.1932	5106	X-RAY DIFFRACTION	100
3.6831-3.8507	0.1915	267	0.1894	5137	X-RAY DIFFRACTION	100
3.8507-4.0536	0.2022	283	0.1807	5118	X-RAY DIFFRACTION	100
4.0536-4.3074	0.1789	267	0.1729	5156	X-RAY DIFFRACTION	100
4.3074-4.6397	0.1973	264	0.1691	5108	X-RAY DIFFRACTION	100
4.6397-5.1061	0.2049	274	0.1629	5143	X-RAY DIFFRACTION	100
5.1061-5.8439	0.2337	265	0.1758	5120	X-RAY DIFFRACTION	100
5.8439-7.3582	0.2081	272	0.191	5150	X-RAY DIFFRACTION	100
7.3582-47.5026	0.1796	266	0.1672	5112	X-RAY DIFFRACTION	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	0.0211	-0.0011	0.0476	0.0325	-0.0289	0.1163	0.0225	0.0912	0.0367	0.0052	-0.0101	0.0026	0.0331	0.0864	0.0977	-0.0217	-0.0752	0.0056	0.1491	0.0042	0.056	218.2922	56.9954	378.7395
2	0.0225	0.017	-0.0001	0.019	-0.0126	0.0122	-0.0645	0.0223	-0.0112	0.0395	-0.0097	0.028	-0.0545	0.0001	0	0.2533	0.0184	0.0265	0.2468	-0.0097	0.1174	245.518	48.4515	411.7959
3	0.1256	-0.0773	0.0318	0.0707	-0.0795	0.3009	0.0232	-0.0296	0.0237	0.0479	0.0066	-0.013	-0.0439	0.1413	0.0773	0.0507	-0.0149	-0.0246	0.0574	-0.0056	0.1145	227.4783	61.6085	408.1712
4	0.0544	-0.0045	0.0303	0.0818	0.0654	0.1152	-0.0089	-0.0803	-0.0327	0.118	0.0519	-0.0177	0.1192	0.0351	0.0562	0.114	-0.0389	0.0182	0.0429	0.0133	0.1061	200.792	39.974	411.6218
5	0.1499	0.0563	-0.0238	0.1406	0.0729	0.0473	-0.0552	0.1056	-0.0422	0.0823	0.0311	0.0596	0.2327	-0.0805	0.1023	0.1138	-0.2205	0.0453	0.0508	-0.0189	0.1055	190.9746	36.2348	381.8885
6	0.0679	0.0008	-0.0076	0.0056	-0.0042	0.0535	0.0622	0.0193	0.0388	0.016	-0.0087	0.0057	0.069	0.0333	0.0223	0.1328	-0.0015	0.0196	0.1487	-0.0433	0.0908	222.7495	52.4379	390.0209
7	0.001	-0.0016	-0.0006	0.0022	0.0011	0.0008	0.0145	0.0066	0.0148	-0.0033	0.0117	0.0012	0.0007	0.0009	0	0.6666	0.0578	-0.04	0.6156	-0.1165	0.4669	240.5334	30.5952	349.8992
8	0.0413	0.0083	-0.0379	0.026	0.041	0.1516	0.0271	0.0361	0.0613	-0.0512	0.0903	0.0295	0.0627	0.0766	0.0213	0.1409	-0.012	-0.0178	0.1693	0.0194	0.1778	218.4848	59.3358	377.2643
9	0.0026	0.0003	0.0014	0.0009	0.0009	0.0007	0.0219	-0.0069	-0.0293	0.0061	0.0141	0.0103	-0.0038	0.0046	0	0.4086	-0.0224	-0.0084	0.3671	0.1039	0.5036	182.3044	66.4652	378.1507
10	0.0029	0.0018	0.0001	0.0012	-0.0007	0.0005	0.0176	-0.0081	0.0134	0.0004	0.0158	-0.0037	-0.0155	0.0072	-0	0.4931	-0.018	0.0248	0.4541	0.0376	0.4681	176.9577	62.3073	386.0416
11	0.0039	-0.0022	-0.0024	0.0027	0.0001	0.0021	-0.0306	0.0149	0.011	0.0059	-0.0134	-0.0465	0.0232	-0.025	-0	0.2933	-0.0109	-0.0264	0.2632	-0.0483	0.2896	210.4556	34.6143	374.5199
12	0.0028	0.0016	-0.0019	0.0051	-0.0026	0.0021	0.0076	0.0233	-0.0338	0.005	0.0329	0.0019	0.008	0.0067	0.0005	0.2818	-0.0464	0.012	0.221	-0.1318	0.2881	207.1959	35.0919	371.6181
13	0.0015	-0.0021	-0.0011	0.0064	-0.0002	0.0007	0.0108	-0.0179	-0.01	0.0022	-0.0182	0.0344	0.0381	0.0079	-0	0.2308	-0.0477	0.04	0.2289	-0.007	0.2184	215.6353	57.3055	405.0316
14	0	0.0003	0.0006	0.0031	0.0006	0.0001	-0.0079	-0.0044	0.0318	-0.0253	-0.0076	0.0113	0.0411	-0.0024	0	0.2379	-0.0412	0.0393	0.2324	0.0749	0.2339	204.2491	53.659	427.4364

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN B AND (RESID 4 THROUGH 163 )
2	X-RAY DIFFRACTION	2	CHAIN B AND (RESID 164 THROUGH 283 )
3	X-RAY DIFFRACTION	3	CHAIN B AND (RESID 284 THROUGH 711 )
4	X-RAY DIFFRACTION	4	CHAIN B AND (RESID 712 THROUGH 1040 )
5	X-RAY DIFFRACTION	5	CHAIN B AND (RESID 1041 THROUGH 1364 )
6	X-RAY DIFFRACTION	6	CHAIN A AND (RESID 0 THROUGH 32 )
7	X-RAY DIFFRACTION	7	CHAIN A AND (RESID 33 THROUGH 40 )
8	X-RAY DIFFRACTION	8	CHAIN A AND (RESID 41 THROUGH 68 )
9	X-RAY DIFFRACTION	9	CHAIN A AND (RESID 69 THROUGH 76 )
10	X-RAY DIFFRACTION	10	CHAIN A AND (RESID 77 THROUGH 81 )
11	X-RAY DIFFRACTION	11	CHAIN C AND (RESID 1 THROUGH 11 )
12	X-RAY DIFFRACTION	12	CHAIN D AND (RESID 3 THROUGH 12 )
13	X-RAY DIFFRACTION	13	CHAIN E AND (RESID 12 THROUGH 21 )
14	X-RAY DIFFRACTION	14	CHAIN E AND (RESID 22 THROUGH 28 )

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