PDB-5vrb: Crystal structure of a transketolase from Neisseria gonorrhoeae

ID or keywords:

Entry

Database: PDB / ID: 5vrb

Title

Crystal structure of a transketolase from Neisseria gonorrhoeae

Components

Transketolase

Keywords

TRANSFERASE / transketolase / TPP / thiamine / thiamine pyrophosphate / calcium-dependent / NIAID / structural genomics / Seattle Structural Genomics Center for Infectious Disease / SSGCID

Function / homology

Function and homology information

transketolase / transketolase activity / metal ion binding
Similarity search - Function

Biological species

Neisseria gonorrhoeae (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.85 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: To Be Published
Title: Crystal structure of a transketolase from Neisseria gonorrhoeae
Authors: Edwards, T.E. / Delker, S.L. / Lorimer, D.D. / Seattle Structural Genomics Center for Infectious Disease (SSGCID)

History

Deposition	May 10, 2017	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 17, 2017	Provider: repository / Type: Initial release
Revision 1.1	Oct 4, 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 / struct_conn_type 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.ptnr1_symmetry / _pdbx_struct_conn_angle.ptnr2_auth_asym_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.ptnr3_symmetry / _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.ptnr1_symmetry / _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_conn.ptnr2_symmetry / _struct_conn_type.id
Revision 1.2	Nov 15, 2023	Group: Data collection / Category: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5vrb.cif.gz	989.8 KB	Display	PDBx/mmCIF format
PDB format	pdb5vrb.ent.gz	814.1 KB	Display	PDB format
PDBx/mmJSON format	5vrb.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	5vrb_validation.pdf.gz	477.3 KB	Display	wwPDB validaton report
Full document	5vrb_full_validation.pdf.gz	486 KB	Display
Data in XML	5vrb_validation.xml.gz	101.9 KB	Display
Data in CIF	5vrb_validation.cif.gz	153.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/vr/5vrb ftp://data.pdbj.org/pub/pdb/validation_reports/vr/5vrb	HTTPS FTP

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Related structure data

Related structure data	2r8oS S: Starting model for refinement
Similar structure data	6p53-d 5gy7-d 6hzj-d 6p52-d 3zgj-d 6wj9-d 4xeu-d 4ef6-d 5xs6-d 5sy3-d 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
Other databases	TargetTrack: NegoA.01294.a

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#153 - Sep 2012 Pyruvate Dehydrogenase Complex similarity (7) #154 - Oct 2012 Citric Acid Cycle similarity (4) #263 - Nov 2021 Acetohydroxyacid Synthase similarity (1)

Deposited unit

A: Transketolase

B: Transketolase

C: Transketolase

D: Transketolase

hetero molecules

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

1

A: Transketolase

hetero molecules

defined by author&software
72.9 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Transketolase

hetero molecules

defined by author&software
72.9 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Transketolase

hetero molecules

defined by author&software
73 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: Transketolase

hetero molecules

defined by author&software
73 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	82.450, 114.210, 125.690
Angle α, β, γ (deg.)	90.000, 90.110, 90.000
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Transketolase Mass: 72731.000 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Neisseria gonorrhoeae (strain NCCP11945) (bacteria) Strain: NCCP11945 / Gene: NGK_0759 / Production host: Escherichia coli (E. coli) / References: UniProt: B4RKU9, transketolase
#2: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₂H₆O₂
#3: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: Ca
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 2039 / 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: 2.04 Å³/Da / Density % sol: 39.57 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: NegoA.01294.a.B1.PS37968 at 22.9 mg/mL against MCSG1 screen condition E9 0.2 M calcium chloride, 25% PEG 3350, cryo-protected with 15% ethylene glycol, 1 mM TPP, 2 mM CaCl2, crystal tracking ...Details: NegoA.01294.a.B1.PS37968 at 22.9 mg/mL against MCSG1 screen condition E9 0.2 M calcium chloride, 25% PEG 3350, cryo-protected with 15% ethylene glycol, 1 mM TPP, 2 mM CaCl2, crystal tracking ID 282795e9, unique puck ID pap7-3

Crystal

Density Matthews: 2.04 Å³/Da / Density % sol: 39.57 %

Crystal grow

Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 7.5
Details: NegoA.01294.a.B1.PS37968 at 22.9 mg/mL against MCSG1 screen condition E9 0.2 M calcium chloride, 25% PEG 3350, cryo-protected with 15% ethylene glycol, 1 mM TPP, 2 mM CaCl2, crystal tracking ...

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

ALS

/ Beamline: 8.2.1 / Wavelength: 1 Å

Detector

Type: ADSC QUANTUM 315r / Detector: CCD / Date: May 3, 2017

Radiation

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

Radiation wavelength

Wavelength: 1 Å / Relative weight: 1

Reflection

Resolution: 1.85→37.591 Å / Num. obs: 195499 / % possible obs: 98.7 % / Observed criterion σ(I): -3 / Redundancy: 3.152 % / B_iso Wilson estimate: 18.41 Å² / CC_1/2: 0.996 / R_merge(I) obs: 0.071 / R_rim(I) all: 0.086 / Χ²: 1.026 / Net I/σ(I): 12.9

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
1.85-1.9	2.935	0.455	2.83	14301	0.744	0.557	98.1
1.9-1.95	3.21	0.375	3.72	13995	0.828	0.451	98.2
1.95-2.01	3.209	0.287	4.77	13660	0.891	0.345	98.4
2.01-2.07	3.201	0.23	5.87	13249	0.928	0.277	98.6
2.07-2.14	3.197	0.182	7.2	12833	0.953	0.219	98.6
2.14-2.21	3.197	0.152	8.45	12464	0.966	0.183	98.7
2.21-2.29	3.196	0.13	9.66	12042	0.972	0.157	98.8
2.29-2.39	3.191	0.111	10.94	11623	0.98	0.133	98.9
2.39-2.49	3.193	0.096	12.34	11100	0.984	0.115	99
2.49-2.62	3.185	0.086	13.51	10651	0.987	0.103	99.1
2.62-2.76	3.176	0.075	15.23	10154	0.989	0.09	99.1
2.76-2.93	3.166	0.064	17.55	9615	0.992	0.077	99.1
2.93-3.13	3.139	0.055	19.55	9014	0.993	0.067	99.1
3.13-3.38	3.127	0.047	22.23	8398	0.995	0.057	99
3.38-3.7	3.097	0.041	24.82	7771	0.996	0.049	98.9
3.7-4.14	3.045	0.038	26.64	6948	0.996	0.046	98.6
4.14-4.78	3.097	0.036	28.17	6144	0.996	0.043	98.4
4.78-5.85	3.092	0.035	27.73	5213	0.996	0.043	98.2
5.85-8.27	3.116	0.035	28.14	4095	0.996	0.042	99
8.27-37.591	3.056	0.031	30.27	2229	0.997	0.038	96.9

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
PHENIX		refinement
PDB_EXTRACT	3.22	data extraction
XDS		data reduction
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2r8o

2r8o

Resolution: 1.85→37.591 Å / SU ML: 0.19 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 17.29

	R_factor	Num. reflection	% reflection
R_free	0.1907	1970	1.01 %
R_work	0.1505	-	-
obs	0.1509	195491	98.69 %

Solvent computation

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

Displacement parameters

B_iso max: 77.72 Å² / B_iso mean: 22.416 Å² / B_iso min: 6.92 Å²

Refinement step

Cycle: final / Resolution: 1.85→37.591 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	19017	0	36	2060	21113
B_iso mean	-	-	28.49	29.94	-
Num. residues	-	-	-	-	2528

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	19673
X-RAY DIFFRACTION	f_angle_d	0.769	26806
X-RAY DIFFRACTION	f_chiral_restr	0.05	2988
X-RAY DIFFRACTION	f_plane_restr	0.005	3513
X-RAY DIFFRACTION	f_dihedral_angle_d	11.484	11631

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 (%)
1.85-1.8963	0.2541	128	0.2189	13598	13726	98
1.8963-1.9475	0.2398	131	0.1877	13769	13900	98
1.9475-2.0048	0.2063	119	0.1729	13804	13923	98
2.0048-2.0695	0.2154	160	0.1643	13727	13887	99
2.0695-2.1435	0.1937	166	0.1564	13719	13885	99
2.1435-2.2293	0.1991	160	0.1529	13783	13943	99
2.2293-2.3308	0.1999	151	0.142	13844	13995	99
2.3308-2.4536	0.1848	166	0.1417	13753	13919	99
2.4536-2.6073	0.188	146	0.146	13899	14045	99
2.6073-2.8086	0.1881	133	0.145	13855	13988	99
2.8086-3.0911	0.2065	156	0.151	13917	14073	99
3.0911-3.5381	0.1675	116	0.1461	13909	14025	99
3.5381-4.4565	0.1678	131	0.132	13863	13994	99
4.4565-37.5988	0.1787	107	0.1517	14081	14188	98

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	8.2281	-2.1219	-4.2302	3.2708	0.4929	2.2983	0.0991	-0.0583	0.4287	-0.075	0.036	0.1537	-0.1015	-0.1401	-0.1546	0.1527	-0.0198	-0.0354	0.2069	0.0269	0.1642	-6.677	6.7306	4.5183
2	2.0583	-1.1159	-2.1618	1.8026	1.5866	3.5127	0.0099	0.0429	-0.0068	-0.0429	0.0347	0.123	0.1371	-0.1652	-0.0461	0.1393	-0.0319	-0.0399	0.2019	0.0266	0.0976	-5.5988	-5.2523	8.2386
3	0.6563	0.1306	0.2615	1.1759	-0.4451	0.8389	0.0133	0.062	0.018	-0.1572	-0.0353	-0.0242	0.0396	-0.0292	0.0234	0.1444	0.0201	0.0223	0.1642	0.0115	0.072	12.143	0.3558	5.386
4	1.8515	-0.4772	-0.5186	0.2638	0.1461	1.4017	0.1279	0.2748	-0.0182	-0.2889	-0.0281	0.2483	0.0663	-0.1532	-0.0699	0.3069	-0.054	-0.0788	0.2791	-0.0063	0.1394	-6.7738	-5.2121	-3.107
5	0.5025	0.1358	0.234	0.6691	0.0688	1.3945	0.0614	0.0767	-0.1267	-0.122	-0.0033	-0.1267	0.3258	0.1311	-0.0579	0.1842	0.0382	0.0167	0.119	-0.0025	0.1309	19.719	-17.7374	21.1184
6	0.9241	0.1474	-0.1244	2.3492	-0.9866	1.6558	0.0544	-0.0724	-0.2076	-0.0418	-0.0569	-0.1108	0.2584	0.0116	-0.0013	0.1348	-0.0081	-0.0033	0.1023	0.018	0.1393	15.049	-24.8506	36.2286
7	0.755	0.513	0.0379	1.4902	0.0077	0.884	0.1093	-0.2601	-0.1463	0.2648	-0.0889	-0.0158	0.1482	-0.1203	-0.0141	0.1624	-0.0149	0.005	0.1666	0.0499	0.1298	16.3498	-19.9791	49.102
8	0.6474	-0.2006	0.2578	1.1722	-0.1336	0.6722	-0.0184	0.1107	0.1365	-0.0108	-0.0597	-0.2172	-0.0281	0.1527	0.0642	0.0789	-0.0007	0.0123	0.1474	0.0329	0.2142	42.9266	7.7474	35.3621
9	0.8548	-0.026	0.1317	0.5392	-0.0469	1.242	-0.0242	0.1552	0.1301	-0.0877	-0.0505	-0.1473	-0.0424	0.1346	0.048	0.1082	-0.0037	0.0235	0.1443	0.0596	0.1622	32.7263	12.7308	22.7336
10	0.6398	-0.7628	0.2312	1.0763	-0.0022	0.6795	-0.0594	0.0837	0.3083	0.0712	-0.038	-0.418	-0.1286	0.1255	0.0593	0.1517	-0.0535	-0.0125	0.1431	0.0211	0.3499	41.9584	16.4483	37.9039
11	0.9854	0.0106	0.019	1.3571	0.3758	1.1553	-0.0002	-0.0416	0.1966	0.0715	-0.1212	0.1652	-0.2039	-0.1775	0.0719	0.126	0.0391	0.0063	0.1257	-0.008	0.1716	9.6602	20.7097	36.1317
12	1.0403	0.6276	0.2675	0.9077	0.3727	0.3255	-0.0566	-0.0194	0.0193	-0.0471	0.026	0.068	-0.0362	-0.0836	0.0345	0.0985	0.0149	0.0092	0.1319	0.018	0.0962	9.2952	6.1189	33.6277
13	1.3381	0.354	-0.713	1.2566	-0.1233	1.4639	0.0832	-0.2009	0.1605	0.1622	-0.0366	0.1411	-0.2022	-0.179	-0.086	0.1184	0.0366	0.0154	0.1867	-0.0236	0.108	2.4773	7.8891	49.1843
14	0.7718	-0.0718	-0.1667	0.794	0.454	0.6881	0.0627	-0.2701	-0.0675	0.1408	-0.0459	0.0485	0.0811	-0.226	-0.0254	0.1293	-0.005	0.0277	0.27	0.0278	0.1238	-3.0061	-2.742	52.2007
15	0.7683	0.0475	-0.9677	0.7329	-0.213	1.8743	0.0978	-0.1749	-0.0495	0.0661	-0.0209	0.2223	0.1193	-0.2992	-0.0907	0.1189	-0.0468	0.0218	0.2707	0.005	0.1613	-11.1688	-6.0286	38.7109
16	4.2269	-1.2867	2.6878	2.3811	-0.9058	1.7205	0.1184	0.1191	-0.2477	-0.1135	-0.0724	-0.1924	0.2609	0.3204	-0.049	0.1714	0.0497	0.0309	0.2968	-0.0403	0.218	48.5101	2.5001	68.7259
17	1.4815	-0.8292	1.3583	1.7886	-1.5833	2.5099	0.0125	0.1065	0.0439	0.0955	-0.0684	-0.2527	-0.0711	0.3193	0.0622	0.1361	-0.0097	0.0107	0.1963	-0.037	0.1409	45.573	14.1985	72.3258
18	1.0158	-0.033	-0.0473	2.4082	-0.46	1.1477	0.0888	0.12	0.0093	-0.0838	-0.0392	-0.0442	-0.0344	0.1229	-0.0475	0.1235	0.0057	0.0197	0.1395	-0.0227	0.0845	30.6959	14.7286	71.5697
19	1.7054	0.3978	-0.931	1.083	0.3054	1.5233	-0.0375	0.1195	-0.2339	-0.0526	0.0051	-0.1675	0.2381	0.0885	0.0483	0.1599	0.0316	-0.0132	0.1495	-0.0394	0.1263	30.6033	-0.2938	66.5143
20	4.671	-3.6896	0.4852	3.8477	-0.9805	1.4673	0.1685	0.5074	0.3307	-0.2613	-0.2895	-0.4191	-0.0385	0.4157	0.0907	0.2239	-0.0444	0.0361	0.3244	-0.0071	0.1503	46.1745	18.8024	60.4284
21	0.4834	0.1086	-0.0247	0.6249	-0.0179	0.8412	0.0669	0.032	0.1053	-0.0281	-0.0219	0.0944	-0.1273	-0.0717	-0.0386	0.113	0.014	0.0102	0.0861	-0.0048	0.1108	20.171	22.6614	86.1857
22	0.5476	-0.5356	0.0234	1.4034	0.7252	1.1234	0.2057	-0.155	0.3141	0.2661	-0.0434	0.065	-0.3296	0.0676	-0.1181	0.3043	-0.0697	0.1127	0.135	-0.0582	0.2148	22.1947	32.362	103.7673
23	0.2607	0.1275	0.0765	1.4056	-0.0389	1.1415	0.2179	-0.2091	0.1271	0.5013	-0.1072	0.0374	-0.1997	0.0908	-0.0745	0.2938	-0.0604	0.0464	0.1839	-0.0553	0.1408	20.4503	22.9202	112.9638
24	1.3459	-0.5098	-0.1277	2.1689	0.171	0.7749	0.0259	-0.0169	-0.1375	0.0119	-0.0377	0.1338	0.0605	-0.1475	0.0072	0.1298	-0.0489	-0.016	0.1326	-0.0058	0.1561	-1.5722	-7.4314	95.8337
25	1.0649	0.2012	-0.1775	0.4875	0.0989	0.9004	0.0041	0.1431	-0.2355	-0.0908	-0.0097	0.0354	0.0781	-0.0867	0.0027	0.1679	-0.0186	-0.0304	0.106	-0.0448	0.1879	10.132	-10.7378	83.6788
26	2.0062	-0.4731	0.3356	3.6885	-0.2992	1.9424	0.0527	0.0248	0.0027	-0.1662	-0.0499	0.3742	-0.0493	-0.3277	0.0068	0.1396	-0.0305	-0.0495	0.2257	-0.0494	0.2906	-13.2887	-2.4256	92.5951
27	1.107	0.2503	-0.0497	0.6278	0.127	0.4678	0.0373	-0.1284	-0.367	0.0687	-0.0272	-0.1375	0.1915	0.0837	0.0048	0.1901	0.0164	-0.0387	0.1101	0.0336	0.2226	29.0901	-12.5176	99.5028
28	2.4026	0.3854	2.1383	1.6524	0.37	3.3236	0.0573	-0.251	-0.2139	0.2656	-0.0379	-0.2651	0.0653	0.2814	-0.0988	0.2187	0.022	-0.0609	0.2271	0.0551	0.1826	41.5244	-2.5838	114.6455
29	0.5476	0.0757	0.3769	1.0797	-0.2803	0.896	0.0247	-0.151	0.0567	0.303	-0.0677	-0.2046	-0.1859	0.2372	0.0277	0.2474	-0.02	-0.0928	0.2245	-0.0104	0.1825	44.1424	9.8307	112.0365

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 2 through 40 )	A	2 - 40
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 41 through 96 )	A	41 - 96
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 97 through 241 )	A	97 - 241
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 242 through 314 )	A	242 - 314
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 315 through 474 )	A	315 - 474
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 475 through 554 )	A	475 - 554
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 555 through 659 )	A	555 - 659
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 2 through 96 )	B	2 - 96
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 97 through 254 )	B	97 - 254
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 255 through 333 )	B	255 - 333
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 334 through 421 )	B	334 - 421
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 422 through 474 )	B	422 - 474
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 475 through 554 )	B	475 - 554
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 555 through 626 )	B	555 - 626
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 627 through 659 )	B	627 - 659
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 2 through 40 )	C	2 - 40
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 41 through 96 )	C	41 - 96
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 97 through 157 )	C	97 - 157
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 158 through 273 )	C	158 - 273
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 274 through 314 )	C	274 - 314
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 315 through 505 )	C	315 - 505
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 506 through 554 )	C	506 - 554
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 555 through 659 )	C	555 - 659
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 1 through 96 )	D	1 - 96
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 97 through 254 )	D	97 - 254
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 255 through 293 )	D	255 - 293
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 294 through 505 )	D	294 - 505
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 506 through 554 )	D	506 - 554
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 555 through 659 )	D	555 - 659

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