PDB-6mwk: Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate ...

ID or keywords:

Entry

Database: PDB / ID: 6mwk

Title

Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0883

Components

2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase

Keywords

LYASE / SSGCID / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease

Function / homology

Function and homology information

2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase / 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase activity / isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway / terpenoid biosynthetic process / metal ion binding
Similarity search - Function

Biological species

Burkholderia pseudomallei (bacteria)

Method

X-RAY DIFFRACTION /

MOLECULAR REPLACEMENT / Resolution: 1.8 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: To Be Published
Title: Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0456.
Authors: Abendroth, J. / Dranow, D.M. / Pierce, P.G. / Horn, J.R. / Hagen, T.J. / Lorimer, D.D. / Horanyi, P.S. / Edwards, T.E.

History

Deposition	Oct 29, 2018	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Nov 6, 2019	Provider: repository / Type: Initial release
Revision 1.1	Nov 20, 2019	Group: Database references / Category: citation / citation_author / Item: _citation.journal_abbrev / _citation.title
Revision 1.2	Oct 11, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn 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_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_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6mwk.cif.gz	207.2 KB	Display	PDBx/mmCIF format
PDB format	pdb6mwk.ent.gz	164.5 KB	Display	PDB format
PDBx/mmJSON format	6mwk.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	6mwk_validation.pdf.gz	1.4 MB	Display	wwPDB validaton report
Full document	6mwk_full_validation.pdf.gz	1.4 MB	Display
Data in XML	6mwk_validation.xml.gz	24.6 KB	Display
Data in CIF	6mwk_validation.cif.gz	35.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/mw/6mwk ftp://data.pdbj.org/pub/pdb/validation_reports/mw/6mwk	HTTPS FTP

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Related structure data

Related structure data	6mwfC 6mwiC 6mwjC 3qhdS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	3f0f-d 1h48-2 6mwi-d 6v3m-d 6mwf-d 1gx1-d 2amt-1 1h48-1 2gzl-1 1yqn-1 Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetTrack: SSGCID-BupsA.00122.a

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#254 - Feb 2021 Cellulose Synthase similarity (1)

Deposited unit

A: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase

B: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase

C: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase

hetero molecules

54 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	117.330, 68.040, 60.670
Angle α, β, γ (deg.)	90.000, 96.460, 90.000
Int Tables number	5
Space group name H-M	C121

Components on special symmetry positions

ID	Model	Components
1	1	A-405- HOH
2	1	A-414- HOH
3	1	B-339- HOH

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Protein , 1 types, 3 molecules ABC

#1: Protein	2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase / MECPS Mass: 17495.881 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Burkholderia pseudomallei (strain 1710b) (bacteria) Strain: 1710b / Gene: ispF, BURPS1710b_2511 / Plasmid: BupsA.00122.a.A1 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) References: UniProt: Q3JRA0, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase

#1: Protein

2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase / MECPS

Mass: 17495.881 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Burkholderia pseudomallei (strain 1710b) (bacteria)
Strain: 1710b / Gene: ispF, BURPS1710b_2511 / Plasmid: BupsA.00122.a.A1 / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3)
References: UniProt: Q3JRA0, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase

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Non-polymers , 6 types, 453 molecules

#2: Chemical	ChemComp-ZN / ZINC ION Mass: 65.409 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Zn
#3: Chemical	ChemComp-K4Y / 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide Mass: 280.303 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₁₁H₁₂N₄O₃S / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-DMS / DIMETHYL SULFOXIDE Mass: 78.133 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂H₆OS / Comment: DMSO, precipitant*YM
#5: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Mg
#6: Chemical	ChemComp-MLA / MALONIC ACID / DICARBOXYLIC ACID C3 / PROPANEDIOLIC ACID / METHANEDICARBOXYLIC ACID Mass: 104.061 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₃H₄O₄
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 441 / 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: 2.3 Å³/Da / Density % sol: 46.4 %
Crystal grow	Temperature: 290 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: Hampton research Index screen, condition C9: 5% Jeffamine ED-2003, 1100mM sodium malonate dibasic, 100mM HEPES free acid / NaOH pH 7.5: BupsA.00122.a.A1.PW28612 at 14mg/ml + 9mM compound ...Details: Hampton research Index screen, condition C9: 5% Jeffamine ED-2003, 1100mM sodium malonate dibasic, 100mM HEPES free acid / NaOH pH 7.5: BupsA.00122.a.A1.PW28612 at 14mg/ml + 9mM compound bsi108673/HGN-0883: Cryo: 20% EG: Tray 300532c9, puck ZRJ4-4

Crystal

Density Matthews: 2.3 Å³/Da / Density % sol: 46.4 %

Crystal grow

Temperature: 290 K / Method: vapor diffusion, sitting drop / pH: 7.5
Details: Hampton research Index screen, condition C9: 5% Jeffamine ED-2003, 1100mM sodium malonate dibasic, 100mM HEPES free acid / NaOH pH 7.5: BupsA.00122.a.A1.PW28612 at 14mg/ml + 9mM compound ...

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

ROTATING ANODE / Type: RIGAKU FR-E+ SUPERBRIGHT / Wavelength: 1.5418 Å

Detector

Type: RIGAKU SATURN 944+ / Detector: CCD / Date: Jun 7, 2018

Radiation

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

Radiation wavelength

Wavelength: 1.5418 Å / Relative weight: 1

Reflection

Resolution: 1.8→40.935 Å / Num. obs: 43844 / % possible obs: 99.4 % / Redundancy: 3.076 % / B_iso Wilson estimate: 21.744 Å² / CC_1/2: 0.997 / R_merge(I) obs: 0.102 / R_rim(I) all: 0.118 / Χ²: 0.693 / Net I/σ(I): 17.88

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	Num. unique obs	CC_1/2	R_rim(I) all	% possible all
1.8-1.85	1.973	0.509	2.09	3179	0.83	0.633	97.7
1.85-1.9	2.031	0.437	2.51	3130	0.862	0.542	98.9
1.9-1.95	2.079	0.383	2.97	3059	0.883	0.475	99.7
1.95-2.01	2.131	0.29	4.08	2971	0.924	0.36	99.9
2.01-2.08	2.198	0.235	5.24	2890	0.947	0.292	99.7
2.08-2.15	2.395	0.204	6.93	2780	0.954	0.251	99.4
2.15-2.23	2.833	0.192	8.78	2710	0.97	0.231	99.7
2.23-2.32	2.999	0.178	10.19	2595	0.978	0.212	99.6
2.32-2.43	3.151	0.166	12.02	2497	0.982	0.195	99.6
2.43-2.55	3.301	0.159	14.04	2367	0.984	0.186	99.6
2.55-2.68	3.555	0.139	16.59	2274	0.99	0.16	99.6
2.68-2.85	4.103	0.135	19.64	2157	0.992	0.153	100
2.85-3.04	4.472	0.113	25.37	2025	0.996	0.127	100
3.04-3.29	4.446	0.099	30.95	1889	0.997	0.111	99.8
3.29-3.6	4.368	0.074	43.52	1752	0.997	0.083	99.8
3.6-4.02	4.34	0.07	51.75	1569	0.999	0.078	99.8
4.02-4.65	4.175	0.051	65.19	1394	0.999	0.057	99.9
4.65-5.69	4.22	0.059	59.19	1189	0.999	0.066	99.5
5.69-8.05	4.199	0.067	55.43	911	0.998	0.076	99.6
8.05-40.935	3.723	0.036	81.51	506	0.999	0.042	94.6

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Processing

Software

Name	Version	Classification
XDS		data reduction
XSCALE		data scaling
PHENIX	(dev_3297)	refinement
PDB_EXTRACT	3.24	data extraction
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: pdb entry 3qhd

3qhd

Resolution: 1.8→40.935 Å / SU ML: 0.17 / Cross valid method: THROUGHOUT / σ(F): 1.38 / Phase error: 15.34

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.1785	1951	4.45 %	0
R_work	0.1419	-	-	-
obs	0.1434	43836	99.45 %	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Displacement parameters

B_iso max: 78.55 Å² / B_iso mean: 19.7309 Å² / B_iso min: 4.33 Å²

Refinement step

Cycle: final / Resolution: 1.8→40.935 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3534	0	84	448	4066
B_iso mean	-	-	27.63	30.1	-
Num. residues	-	-	-	-	480

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.007	3746
X-RAY DIFFRACTION	f_angle_d	0.942	5099
X-RAY DIFFRACTION	f_dihedral_angle_d	16.712	2250
X-RAY DIFFRACTION	f_chiral_restr	0.064	581
X-RAY DIFFRACTION	f_plane_restr	0.005	679

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 14

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
1.8-1.845	0.2014	143	0.1772	2916	3059	98
1.845-1.8949	0.2228	157	0.1787	2955	3112	99
1.8949-1.9507	0.2266	145	0.1768	2958	3103	100
1.9507-2.0136	0.1896	141	0.1514	2985	3126	100
2.0136-2.0856	0.1957	131	0.1434	2993	3124	100
2.0856-2.1691	0.1858	137	0.1445	2999	3136	99
2.1691-2.2678	0.1827	131	0.1461	2991	3122	100
2.2678-2.3873	0.1862	130	0.1438	2956	3086	100
2.3873-2.5369	0.1786	156	0.1393	3005	3161	100
2.5369-2.7327	0.1601	131	0.1452	3007	3138	100
2.7327-3.0077	0.2064	139	0.1418	2995	3134	100
3.0077-3.4427	0.1515	125	0.136	3044	3169	100
3.4427-4.3367	0.1565	125	0.1193	3055	3180	100
4.3367-40.9457	0.1636	160	0.1362	3026	3186	99

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	4.4645	-2.5165	0.2274	7.0749	3.2074	6.7449	-0.1853	-2.0474	1.288	1.4035	0.1288	-0.5054	-0.611	0.6328	-0.0023	0.4729	-0.0374	-0.0968	0.6286	-0.1961	0.4258	31.4526	-46.3319	9.2701
2	0.9301	0.099	-0.0129	1.801	-0.3764	1.0382	-0.0332	0.0442	-0.0898	-0.1021	0.0031	-0.1649	0.1071	0.1397	0.0366	0.0861	0.0337	-0.0032	0.0951	-0.0068	0.0969	32.3352	-46.4876	-11.2458
3	3.4779	0.754	0.8776	1.7231	1.1274	2.4863	-0.1527	0.013	-0.1765	-0.079	0.0991	0.1075	0.2525	-0.1547	0.0479	0.065	0.035	0.0072	0.0607	-0.0007	0.1124	22.5385	-49.2759	-10.1015
4	1.3942	0.7	-0.0935	2.8361	0.7315	1.3211	0.0548	-0.0557	0.1983	-0.0832	-0.0029	0.0556	-0.1825	0.0554	-0.0311	0.0732	0.0165	-0.0214	0.0558	0.0117	0.1099	10.8659	-32.4995	-8.3637
5	0.5227	-0.1926	0.2705	0.3029	-0.3435	0.3878	0.0094	0.1158	0.1406	-0.0863	-0.0318	0.025	-0.1686	-0.1011	0.0197	0.0981	0.0075	0.0035	0.0821	0.0332	0.0947	7.4521	-33.5272	-12.9625
6	4.4609	2.3713	1.4363	5.9623	-0.1705	2.7389	-0.0031	0.265	0.6552	0.2471	0.0282	0.1355	-0.6874	-0.1659	0.0804	0.255	0.0325	0.0274	0.175	0.0555	0.1619	3.3884	-33.0383	-22.0263
7	1.5073	0.4252	0.0912	1.6065	0.5698	1.7508	0.0096	0.017	0.0584	-0.0488	0.0463	0.0048	-0.0667	-0.0862	-0.0655	0.0726	0.0012	0.0037	0.0659	0.0171	0.0678	5.9331	-38.7088	-8.0631
8	3.5279	3.5221	-0.1052	4.5376	-0.72	1.0575	0.1207	-0.0701	-0.0062	0.2295	-0.1189	-0.0871	-0.0258	0.1167	-0.0019	0.0843	0.0136	0.0097	0.0798	-0.0201	0.0735	17.7252	-36.4892	-4.4559
9	2.4082	0.6638	0.5297	6.5066	2.3417	3.6151	0.0739	0.2551	-0.2161	0.0606	0.1555	-0.1544	0.2479	-0.0585	-0.1994	0.0669	-0.0033	0.0036	0.0699	0.0145	0.0204	11.721	-43.3443	-14.3785
10	1.6341	0.3264	0.2323	3.2719	-0.5235	1.9563	-0.0127	0.2455	0.1252	-0.0241	-0.038	-0.2447	-0.1171	0.1261	-0.0134	0.0606	0.0084	0.0279	0.1516	0.004	0.0962	24.6579	-37.6116	-25.7755
11	2.6194	0.872	-0.0843	4.2299	-1.6418	2.7847	-0.0085	0.4197	0.4569	-0.1895	-0.0438	-0.2923	-0.2239	0.139	0.0237	0.1232	-0.0034	0.0245	0.2364	0.0259	0.1454	24.8601	-33.72	-30.6461
12	2.0665	1.0465	-0.7721	3.5351	-0.9234	2.2397	-0.0269	0.3766	0.0424	-0.1416	0.0303	-0.5573	-0.0348	0.0151	0.0098	0.1567	0.0205	0.0344	0.1661	-0.0435	0.2107	34.4137	-47.3457	-25.4671
13	0.7926	0.2124	-0.5566	1.2457	0.3356	0.5902	-0.1002	0.7261	0.3809	-0.6783	0.0004	-1.1101	-0.0262	0.808	0.0893	0.3977	-0.0337	0.1885	0.6139	0.0566	0.4426	36.7659	-41.0723	-37.0452
14	1.2623	0.4338	0.1725	1.2357	-0.1471	1.1955	-0.0572	0.375	-0.0529	-0.1487	0.0702	0.037	0.0657	0.0432	0.0022	0.1089	-0.0035	0.0137	0.2055	-0.0013	0.0762	18.2067	-42.7122	-31.0159
15	0.506	-0.4312	0.4806	2.1508	1.0433	1.9683	-0.0331	0.0698	0.3744	0.021	-0.1006	0.0649	-0.127	0.0074	0.0738	0.1287	-0.0086	0.0114	0.1113	0.0367	0.1595	19.5174	-24.4808	-18.8728
16	2.455	0.2976	0.0501	3.1756	-0.8374	2.1028	0.0316	0.2748	-0.2837	-0.0919	0.0322	0.0909	0.1405	0.1402	-0.0096	0.0666	0.0179	-0.0116	0.1152	-0.0261	0.0763	21.275	-45.8337	-23.2582
17	4.4214	2.2287	0.0309	3.6236	0.0988	0.6403	-0.0068	-0.0756	0.202	0.0146	-0.0311	-0.1865	-0.0083	0.1453	0.0431	0.1117	0.0162	-0.0092	0.0959	0.0074	0.0441	33.2597	-40.7138	-7.4364
18	4.7369	2.3919	-1.4558	3.098	-1.22	0.5797	0.1321	-0.3929	0.0548	0.2044	-0.1398	-0.1331	-0.0482	0.1106	0.0135	0.125	0.0347	-0.0205	0.1077	-0.0121	0.0871	27.0898	-44.3394	-2.1964

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'C' and (resid 63 through 74 )	C	63 - 74
2	X-RAY DIFFRACTION	2	chain 'C' and (resid 75 through 146 )	C	75 - 146
3	X-RAY DIFFRACTION	3	chain 'C' and (resid 147 through 159 )	C	147 - 159
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 0 through 33 )	A	0 - 33
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 34 through 53 )	A	34 - 53
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 54 through 67 )	A	54 - 67
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 68 through 122 )	A	68 - 122
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 123 through 146 )	A	123 - 146
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 147 through 159 )	A	147 - 159
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 0 through 23 )	B	0 - 23
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 24 through 53 )	B	24 - 53
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 54 through 62 )	B	54 - 62
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 63 through 74 )	B	63 - 74
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 75 through 131 )	B	75 - 131
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 132 through 146 )	B	132 - 146
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 147 through 159 )	B	147 - 159
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 0 through 33 )	C	0 - 33
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 34 through 62 )	C	34 - 62

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