PDB-6v7t: Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in compl...

ID or keywords:

Entry

Database: PDB / ID: 6v7t

Title

Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime

Components

Beta-lactamase

Keywords

HYDROLASE / drug resistance / protein evolution / conformational change / enzyme kinetics / enzyme catalysis / protein stability / protein-drug interaction

Function / homology

Function and homology information

beta-lactam antibiotic catabolic process / beta-lactamase / beta-lactamase activity / response to antibiotic / metal ion binding
Similarity search - Function

Biological species

Escherichia coli (E. coli)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.34 Å

Authors

Brown, C.A. / Hu, L. / Sankaran, B. / Prasad, B.V.V. / Palzkill, T.G.

Funding support

United States, 1items

Citation

Journal: J.Biol.Chem. / Year: 2020
Title: Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
Authors: Brown, C.A. / Hu, L. / Sun, Z. / Patel, M.P. / Singh, S. / Porter, J.R. / Sankaran, B. / Prasad, B.V.V. / Bowman, G.R. / Palzkill, T.

History

Deposition	Dec 9, 2019	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 22, 2020	Provider: repository / Type: Initial release
Revision 1.1	Apr 29, 2020	Group: Database references / Category: citation / citation_author Item: _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed ..._citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2	Jun 3, 2020	Group: Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3	Jun 30, 2021	Group: Structure summary / Category: audit_author
Revision 1.4	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 Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.5	Oct 23, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6v7t.cif.gz	268.4 KB	Display	PDBx/mmCIF format
PDB format	pdb6v7t.ent.gz	175.6 KB	Display	PDB format
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Validation report

Summary document	6v7t_validation.pdf.gz	381.5 KB	Display	wwPDB validaton report
Full document	6v7t_full_validation.pdf.gz	382.6 KB	Display
Data in XML	6v7t_validation.xml.gz	1.7 KB	Display
Data in CIF	6v7t_validation.cif.gz	10.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/v7/6v7t ftp://data.pdbj.org/pub/pdb/validation_reports/v7/6v7t	HTTPS FTP

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Related structure data

Related structure data	6v5eC 6v6gC 6v6pC 6v83C 6v8vC 1yltS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	7k2w-d 5gl9-d 2p74-2 6afp-2 6cyn-8 1yly-1 5a91-d 5top-2 3bfc-4 3bff-2 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
Related items in Molecule of the Month	#164 - Aug 2013 Serotonin Receptor similarity (5) #29 - May 2002 Penicillin-binding Proteins similarity (3) #187 - Jul 2015 New Delhi Metallo-β-Lactamase similarity (2)

Deposited unit

A: Beta-lactamase

B: Beta-lactamase

hetero molecules

56.9 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Beta-lactamase

hetero molecules

defined by author&software
Evidence: gel filtration
28.4 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Beta-lactamase

hetero molecules

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

Unit cell

Length a, b, c (Å)	45.110, 107.330, 47.750
Angle α, β, γ (deg.)	90.000, 99.860, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb
Symmetry operation	#1: x,y,z #2: -x,y+1/2,-z

#1: Protein	Beta-lactamase Mass: 27955.551 Da / Num. of mol.: 2 / Mutation: E166A, D240G Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) Gene: blaCTX-M-14, beta-lactamase CTX-M-14, bla, bla CTX-M-14, bla-CTX-M-14a, blaCTX-M, blaCTX-M-14a, blaCTX-M-14b, blaCTX-M-14c, blaCTX-M-27b, blatoho-3, blaUOE-2, CTX-M-14, AM465_01285, AM465_ ...Gene: blaCTX-M-14, beta-lactamase CTX-M-14, bla, bla CTX-M-14, bla-CTX-M-14a, blaCTX-M, blaCTX-M-14a, blaCTX-M-14b, blaCTX-M-14c, blaCTX-M-27b, blatoho-3, blaUOE-2, CTX-M-14, AM465_01285, AM465_06510, AM465_23360, APT94_14605, BEN53_26220, BET08_34355, BJJ90_27545, BK334_27290, BOH76_00730, BON63_16015, BON66_01305, BON69_22545, BON71_04040, BON75_10525, BON76_14325, BON81_01055, BON83_15455, BON86_08515, BON91_02075, BON92_04750, BON94_23850, BON95_01680, BON96_03940, BXT93_06855, C5N07_28500, C5P43_21980, CDL37_21060, CR538_26855, CRT46_23505, DW236_20870, EIA08_25160, EIA21_26975, ELT23_05930, ETN48_p0088, FNJ69_13810, FQR64_24895, FTV90_03295, pCT_085, pHK01_011, RCS103_P0010, RCS30_P0082, RCS56_P0085, RCS60_P0031, RCS63_P0006, RCS65_P0008, RCS66_P0053, SAMEA4362930_00013, SAMEA4370290_00046 Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q9L5C7, beta-lactamase
#2: Chemical	ChemComp-CAZ / ACYLATED CEFTAZIDIME Mass: 469.492 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Formula: C₁₇H₁₉N₅O₇S₂ / Feature type: SUBJECT OF INVESTIGATION
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 705 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y
Has protein modification	Y

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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: 39.69 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8 / Details: 0.2M Na chloride, 0.1M Tris pH 8, 20% PEG 6000

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: ALS / Beamline: 8.2.2 / Wavelength: 0.999974 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Mar 7, 2019
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.999974 Å / Relative weight: 1
Reflection	Resolution: 1.34→47.04 Å / Num. obs: 99523 / % possible obs: 99.44 % / Redundancy: 3.7 % / B_iso Wilson estimate: 9.05 Å² / R_merge(I) obs: 0.047 / R_pim(I) all: 0.028 / R_rim(I) all: 0.055 / Net I/σ(I): 17.1
Reflection shell	Resolution: 1.34→1.39 Å / Redundancy: 3.7 % / R_merge(I) obs: 0.118 / Num. unique obs: 9924 / R_pim(I) all: 0.068 / R_rim(I) all: 0.137 / Χ²: 8.5 / % possible all: 99.26

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Processing

Software

Name	Version	Classification
PHENIX	1.17_3644	refinement
MOSFLM		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1YLT

1ylt

Resolution: 1.34→47.04 Å / SU ML: 0.0931 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 14.0695
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.1616	4992	5.02 %
R_work	0.143	94529	-
obs	0.1439	99521	99.44 %

Solvent computation

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

Displacement parameters

B_iso mean: 14.04 Å²

Refinement step

Cycle: LAST / Resolution: 1.34→47.04 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3902	0	62	705	4669

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0054	4054
X-RAY DIFFRACTION	f_angle_d	0.9555	5534
X-RAY DIFFRACTION	f_chiral_restr	0.0801	655
X-RAY DIFFRACTION	f_plane_restr	0.0071	747
X-RAY DIFFRACTION	f_dihedral_angle_d	15.7243	621

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 (%)
1.34-1.36	0.1877	182	0.1589	3124	X-RAY DIFFRACTION	99.34
1.36-1.37	0.1856	145	0.1576	3193	X-RAY DIFFRACTION	99.17
1.37-1.39	0.1962	150	0.1501	3130	X-RAY DIFFRACTION	99.27
1.39-1.41	0.1564	182	0.1467	3136	X-RAY DIFFRACTION	99.28
1.41-1.42	0.1719	189	0.139	3076	X-RAY DIFFRACTION	99.33
1.42-1.44	0.1664	161	0.1411	3174	X-RAY DIFFRACTION	99.58
1.44-1.46	0.169	167	0.138	3140	X-RAY DIFFRACTION	99.55
1.46-1.49	0.1486	150	0.1354	3170	X-RAY DIFFRACTION	99.64
1.49-1.51	0.1633	178	0.1387	3133	X-RAY DIFFRACTION	99.52
1.51-1.53	0.1681	205	0.1357	3118	X-RAY DIFFRACTION	99.52
1.53-1.56	0.135	162	0.1347	3136	X-RAY DIFFRACTION	99.64
1.56-1.59	0.1639	162	0.1309	3163	X-RAY DIFFRACTION	99.55
1.59-1.62	0.1597	163	0.1351	3136	X-RAY DIFFRACTION	99.52
1.62-1.65	0.151	172	0.1367	3176	X-RAY DIFFRACTION	99.64
1.65-1.69	0.1793	161	0.1375	3131	X-RAY DIFFRACTION	99.46
1.69-1.73	0.195	169	0.1423	3160	X-RAY DIFFRACTION	99.67
1.73-1.77	0.1716	163	0.1451	3124	X-RAY DIFFRACTION	99.61
1.77-1.82	0.159	143	0.1464	3226	X-RAY DIFFRACTION	99.67
1.82-1.87	0.1549	153	0.1385	3161	X-RAY DIFFRACTION	99.61
1.87-1.93	0.1652	179	0.1389	3108	X-RAY DIFFRACTION	99.55
1.93-2	0.1529	175	0.1405	3136	X-RAY DIFFRACTION	99.37
2-2.08	0.1543	159	0.1363	3177	X-RAY DIFFRACTION	99.37
2.08-2.18	0.1419	158	0.137	3150	X-RAY DIFFRACTION	99.4
2.18-2.29	0.159	174	0.1433	3153	X-RAY DIFFRACTION	99.25
2.29-2.43	0.1902	178	0.1485	3123	X-RAY DIFFRACTION	99.49
2.43-2.62	0.1614	139	0.1527	3199	X-RAY DIFFRACTION	99.58
2.62-2.89	0.1652	180	0.1562	3149	X-RAY DIFFRACTION	99.91
2.89-3.3	0.1687	152	0.1495	3209	X-RAY DIFFRACTION	100
3.3-4.16	0.1522	174	0.1323	3185	X-RAY DIFFRACTION	99.79
4.16-47.04	0.1457	167	0.1486	3133	X-RAY DIFFRACTION	97

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	0.221827956937	0.174669590653	-0.0760803339792	0.245013293423	0.032166617799	0.115337204533	-0.0877202631007	-0.0897546018455	0.194163181433	0.103269366846	-0.0554905732858	0.345709790347	-0.231571174655	-0.178062157275	-0.00116060224695	0.157156360516	0.0187391167139	0.0158830458612	0.140213641176	-0.036661300817	0.159547431959	-18.7954927179	7.0651633783	25.8266244956
2	0.129868969592	0.0441706699237	-0.136208086312	0.433809626126	0.133848960312	0.238934198415	0.0262802109763	-0.00223676353051	0.104546029642	-0.00535165725354	-0.0456121076674	0.163074489878	-0.100823594802	-0.124806909843	-0.000395890469441	0.0717769626888	0.00350191585132	0.0067732345543	0.0859562841175	-0.0152007888137	0.104708845978	-15.4642409687	8.5898141636	13.8516959301
3	0.140393817955	-0.0485684848902	-0.108122576583	0.107278934298	0.00895306091101	0.0749253926286	0.0105086955097	0.0601729553148	0.0522087762943	-0.0258449494254	0.000251762106335	-0.00660436037154	-0.069937507209	0.0026943490495	4.21845970717E-5	0.0741905237797	-0.00309054055675	-0.00360343093995	0.0715260533851	0.00727528503514	0.0587507357134	-6.82256297618	-0.0265190428495	-3.37368916784
4	0.0405494810463	-0.0311072211956	-0.0364886637502	0.082943876878	-0.0266369706672	0.0817337973309	0.0530439751171	0.224771604402	-0.00655319205275	-0.130901407118	-0.0359255984296	-0.0579381446952	-0.0147755909238	0.180734021297	8.3416009872E-6	0.114549781126	0.0212695115376	-0.00220835574611	0.134279090808	-0.0115439069361	0.091064521201	2.00990360284	-8.28201696525	-11.2261985264
5	0.126323411241	-0.0105293148808	-0.0287152999591	0.0428053928428	0.0158631018711	0.0736292885521	0.0480717840903	0.0163506297992	-0.102761693757	0.0270375268531	0.00187134417275	-0.0432052565152	0.126188170953	0.117501477747	0.000246366076716	0.0845733480187	0.0151581308871	-0.00642735427785	0.0916971877169	-0.00899069426985	0.0792030490584	2.75057515493	-12.163459098	-0.916753968554
6	0.124821358784	0.0772765530661	-0.045689311803	0.162492104131	0.130911166423	0.183516795125	-0.0185262731344	0.0233132933503	-0.00422286562314	-0.0465380677695	0.0430078871306	0.0500328830366	-0.028835802893	0.022425247362	-5.74780781857E-6	0.075647755171	-0.00672168896276	0.000602164749626	0.0679396598014	0.0038704031628	0.0692998373754	-1.07377726887	1.11556853207	-2.5438932149
7	0.130353741729	0.0923001667142	-0.0966517551101	0.1960412958	0.0316659673267	0.243955333113	0.0124480729021	-0.0171462053924	0.0755677236244	0.0529730582176	0.0138492837921	0.0170809604819	-0.0997395727077	0.0708332725091	-7.80771951635E-5	0.0797851081506	-0.0159597724133	0.00768802110091	0.0751656513878	-0.0084230188682	0.0833468367586	1.0085748887	8.26755407804	6.83079888453
8	0.0555613905662	0.0143564341144	0.0168756876538	0.0627659335667	0.00178658919233	0.122903021494	0.0261398811425	0.000898532668276	0.0409722389583	-0.0756678815824	0.0230417796288	0.0462462833291	-0.108854355146	-0.0973695173551	0.00497402323355	0.0771879958743	0.00315370115855	0.00384276426165	0.0821592306858	0.00891988114911	0.0873383405984	-14.2232710668	6.95298621345	4.71351168997
9	0.0470553436454	0.0176867781609	-0.0996589963286	0.226947481868	-0.0665902975466	0.171480902891	0.0404139807145	0.119425084859	-0.0373097715185	-0.0971662755264	0.0386959225472	0.205888339119	0.038961913701	-0.170836706812	0.011423802212	0.0793396034296	-0.00433494922561	-0.0183127125398	0.0949019180094	0.00920569168423	0.0798657722059	-16.447311971	-4.67030358272	-4.26981711792
10	0.109681376724	-0.101476133353	-0.112521469987	0.0941613114921	0.0943088744842	0.370286926912	-0.0515460953548	0.0984922374339	-0.0635679451534	0.0694051029398	-0.0125849832191	0.112627260161	0.181590046652	-0.217767252443	-0.00472590975075	0.0898956208795	-0.0266201668595	0.0158235237751	0.0899329125537	-0.0037406423546	0.0861535398848	-16.5197318206	-9.32038715568	14.0443004765
11	0.146670866429	-0.138277446056	-0.149560654328	0.31338703313	-0.0309741534518	0.286446276918	-0.0345298554728	-0.0124928929207	0.0211011592526	0.0125238211285	0.0136350703983	0.0856129028445	0.00618971015951	-0.0137279070601	1.20001656089E-5	0.0554286767182	-0.0150484137078	-0.00350020652447	0.0624151763361	-0.00425114835975	0.0636970954363	-10.0755359801	-2.67147749553	11.4818652305
12	0.189942974425	-0.0966566923624	-0.292856690754	0.520359294987	-0.0823866383384	0.514422640675	0.0713957687886	-0.151486916184	-0.130459804453	0.0962192419439	0.0317872476589	0.0451076474377	0.0713790136741	-0.0917330944434	0.0133370477024	0.0731944143114	-0.0158656027894	-0.00264181946795	0.0785144449833	0.00202760706434	0.0821564332409	-11.171812031	0.0704026116158	16.5992592292
13	0.256811185288	-0.153690821336	0.0555140119468	0.463655407408	-0.0928634413477	0.261054765273	-0.0116119533847	-0.0631087127728	-0.0886458167885	0.0715352172808	0.0371183257563	0.18376289292	0.0321630922927	-0.235098493565	0.0103318909299	0.0857174992048	-0.00200646886634	0.0131231959138	0.108659230237	-0.00373124452074	0.0674543572715	-17.8451545596	-1.87785509945	20.8256805223
14	0.458413475759	-0.430900128183	-0.432384818631	0.885902109749	0.61395253661	0.564546862645	-0.0223477040959	-0.258309527215	0.0399191301918	0.349432339339	0.0756648412562	-0.310742200361	0.00256358608591	0.29307180384	0.0269776230971	0.191575809529	-0.00623999321518	-0.0389549104698	0.138599308514	0.00178090719458	0.0970996412267	-4.10909549794	-26.1933201177	31.3341020028
15	0.11144469207	-0.0550046749845	0.0785184718032	0.568502497145	-0.148735483018	0.272569808297	0.0467018984748	0.0196133108958	-0.0696843493938	0.0475487904781	-0.0343762078899	-0.0561962094433	0.0585795506625	0.150698921529	0.00177731354385	0.0815834594021	0.015845567214	-0.00558990966881	0.0919717159448	0.00518377035403	0.0788481206643	-8.96512462427	-33.5658908745	16.0645493134
16	0.0496020203556	-0.00031357683743	0.0560018786992	0.0899435138724	0.00769540030073	0.093167768996	0.108499058206	0.159976966478	-0.123976057409	-0.184278937672	-0.127909073293	0.128785328702	0.215204917547	-0.0284736772767	0.000278983554723	0.166804167601	0.0706458300513	-0.0113282347506	0.155163520597	-0.0138752844689	0.140579119208	-22.5252939787	-31.0372040027	-4.89840967022
17	0.48439292686	-0.165115172446	0.222818453226	0.668382130008	-0.115897822541	0.775162186386	0.0409827304798	0.0247926502333	-0.0116378878759	-0.0118353450127	-0.0342997197977	0.00964974305689	0.00869288739022	0.0299375761322	-0.00024549623228	0.05989159546	0.00648905341352	0.00431678662774	0.0522186410678	0.00352578735835	0.0678691336694	-14.2873305186	-28.5133620585	10.7945959617
18	0.208751129126	0.00877539469527	0.336341391372	0.560122872937	-0.0702001898785	0.536453922648	0.0636456931675	-0.0188948119258	0.270493309806	0.142549559708	0.0157106303694	-0.133851507029	-0.135573326903	-0.00606280387675	0.00392089037571	0.109890418864	-0.00365293145723	0.00941793120706	0.0775219538769	0.0043903370503	0.103675653208	-9.59895427075	-23.2806332713	23.2607650563
19	0.593640238486	-0.388199489519	-0.454954853401	1.02123415099	-0.304553273033	0.949793280318	-0.0262991884141	-0.160951504251	0.16203044085	0.238019678244	0.0164265900709	-0.32397109022	-0.108243596105	0.366024407936	-0.0320606081457	0.144670058505	-0.0256865904401	-0.0238473400515	0.11359924314	-0.00940287191693	0.100749585683	-3.56790102604	-19.1449809808	25.1064674411

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 24 through 40 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 41 through 68 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 69 through 85 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 86 through 101 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 102 through 128 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 129 through 155 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 156 through 179 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 180 through 194 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 195 through 213 )
10	X-RAY DIFFRACTION	10	chain 'A' and (resid 214 through 229 )
11	X-RAY DIFFRACTION	11	chain 'A' and (resid 230 through 251 )
12	X-RAY DIFFRACTION	12	chain 'A' and (resid 252 through 275 )
13	X-RAY DIFFRACTION	13	chain 'A' and (resid 276 through 290 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 26 through 50 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 51 through 85 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 86 through 101 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 102 through 251 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 252 through 275 )
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 276 through 290 )

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