PDB-9fys: D11 mAbs bound to alpha-Bungarotoxin

ID or keywords:

Entry

Database: PDB / ID: 9fys

Title

D11 mAbs bound to alpha-Bungarotoxin

Components

Alpha-bungarotoxin
D11 mAbs Light chain
heavy chain

Keywords

TOXIN / mAbs / bungarotoxin / antibody:toxin complex

Function / homology

Function and homology information

acetylcholine receptor inhibitor activity / ion channel regulator activity / toxin activity / extracellular region
Similarity search - Function

Biological species

Homo sapiens (human)

Bungarus multicinctus (many-banded krait)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.32 Å

Authors

Wade, J. / Bohn, M.F. / Laustsen, A.H. / Morth, J.P.

Funding support

European Union, 1items

Citation

Journal: To Be Published
Title: Structural mechanisms of a-neurotoxin-neutralizing antibodies enable rational design of pH-dependent antigen binding
Authors: Wade, J.

History

Deposition	Jul 3, 2024	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jul 16, 2025	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9fys.cif.gz	470.5 KB	Display	PDBx/mmCIF format
PDB format	pdb9fys.ent.gz	322.5 KB	Display	PDB format
PDBx/mmJSON format	9fys.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9fys_validation.pdf.gz	474.5 KB	Display	wwPDB validaton report
Full document	9fys_full_validation.pdf.gz	476.6 KB	Display
Data in XML	9fys_validation.xml.gz	41.2 KB	Display
Data in CIF	9fys_validation.cif.gz	59.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/fy/9fys ftp://data.pdbj.org/pub/pdb/validation_reports/fy/9fys	HTTPS FTP

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Related structure data

Related structure data	9fytC C: citing same article (ref.)
Similar structure data	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	#21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #54 - Jun 2004 Acetylcholinesterase similarity (3) #71 - Nov 2005 Acetylcholine Receptor similarity (3)

Deposited unit

C: heavy chain

X: Alpha-bungarotoxin

Z: Alpha-bungarotoxin

I: D11 mAbs Light chain

M: heavy chain

B: D11 mAbs Light chain

hetero molecules

77.3 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	79.847, 83.804, 102.779
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁
Space group name Hall	P2ac2ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x,y+1/2,-z+1/2 #4: -x+1/2,-y,z+1/2

#1: Antibody	heavy chain Mass: 13187.223 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: heavy chain D11 / Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli)
#2: Protein	Alpha-bungarotoxin / Alpha-Bgtx / Alpha-Btx / Alpha-bungarotoxin / isoform A31 / Alpha-BTX A31 / Alpha-BgTx(A31) / Alpha- ...Alpha-Bgtx / Alpha-Btx / Alpha-bungarotoxin / isoform A31 / Alpha-BTX A31 / Alpha-BgTx(A31) / Alpha-bungarotoxin (A31) / BGTX A31 / Alpha-elapitoxin-Bm2a / Alpha-EPTX-Bm2a / Long neurotoxin 1 Mass: 10297.157 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bungarus multicinctus (many-banded krait) Production host: Bungarus multicinctus (many-banded krait) / References: UniProt: P60615
#3: Antibody	D11 mAbs Light chain Mass: 15073.576 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli)
#4: Chemical	ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID Mass: 195.237 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₆H₁₃NO₄S / Comment: pH buffer*YM
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 877 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N
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: 2.23 Å³/Da / Density % sol: 44.83 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5 / Details: 0.1 M MES: NaOH, 12 % PEG 20000, pH 6.5

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 1.033 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 7, 2023
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.033 Å / Relative weight: 1
Reflection	Resolution: 1.32→38 Å / Num. obs: 158875 / % possible obs: 97.2 % / Redundancy: 13.4 % / B_iso Wilson estimate: 18.55 Å² / CC_1/2: 0.988 / CC star: 0.99 / Net I/σ(I): 8.99
Reflection shell	Resolution: 1.32→1.367 Å / Num. unique obs: 14966 / CC_1/2: 0.47

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Processing

Software

Name	Version	Classification
PHENIX	1.20.1_4487	refinement
DIALS	v1.0	data reduction
DIALS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.32→25.17 Å / SU ML: 0.2319 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 24.0494
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.1923	15121	5.06 %
R_work	0.1673	283583	-
obs	0.1685	149352	95.2 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 26.22 Å²

Refinement step

Cycle: LAST / Resolution: 1.32→25.17 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4942	0	12	877	5831

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0183	5177
X-RAY DIFFRACTION	f_angle_d	1.507	7045
X-RAY DIFFRACTION	f_chiral_restr	0.1119	756
X-RAY DIFFRACTION	f_plane_restr	0.0171	919
X-RAY DIFFRACTION	f_dihedral_angle_d	7.5788	755

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 (%)
1.32-1.33	0.4252	235	0.4318	4289	X-RAY DIFFRACTION	43.15
1.33-1.35	0.4091	311	0.4265	6350	X-RAY DIFFRACTION	63.97
1.35-1.37	0.4289	513	0.4096	8522	X-RAY DIFFRACTION	85.89
1.37-1.38	0.4132	509	0.389	9355	X-RAY DIFFRACTION	94.34
1.38-1.4	0.3831	581	0.3757	9464	X-RAY DIFFRACTION	96.51
1.4-1.42	0.3439	536	0.3593	9685	X-RAY DIFFRACTION	97.32
1.42-1.44	0.3757	546	0.3479	9683	X-RAY DIFFRACTION	97.54
1.44-1.46	0.3451	472	0.3213	9713	X-RAY DIFFRACTION	97.57
1.46-1.49	0.3189	533	0.301	9626	X-RAY DIFFRACTION	97.91
1.49-1.51	0.3014	577	0.2714	9676	X-RAY DIFFRACTION	98.03
1.51-1.54	0.2623	534	0.2507	9755	X-RAY DIFFRACTION	98.07
1.54-1.56	0.2672	496	0.2436	9840	X-RAY DIFFRACTION	98.3
1.56-1.59	0.2668	509	0.2352	9728	X-RAY DIFFRACTION	98.4
1.59-1.63	0.2385	548	0.2201	9757	X-RAY DIFFRACTION	98.44
1.63-1.66	0.2412	555	0.21	9772	X-RAY DIFFRACTION	98.75
1.66-1.7	0.219	589	0.1902	9767	X-RAY DIFFRACTION	98.77
1.7-1.74	0.198	495	0.1696	9826	X-RAY DIFFRACTION	98.71
1.74-1.79	0.2012	484	0.1644	9844	X-RAY DIFFRACTION	99.17
1.79-1.84	0.186	456	0.1569	9938	X-RAY DIFFRACTION	99.05
1.84-1.9	0.1887	499	0.1587	9881	X-RAY DIFFRACTION	99.15
1.9-1.97	0.1859	475	0.1572	9867	X-RAY DIFFRACTION	99.46
1.97-2.05	0.1765	511	0.1527	9908	X-RAY DIFFRACTION	99.47
2.05-2.14	0.1799	527	0.1511	9918	X-RAY DIFFRACTION	99.5
2.14-2.26	0.1798	506	0.1526	9879	X-RAY DIFFRACTION	99.75
2.26-2.4	0.1722	570	0.1406	9876	X-RAY DIFFRACTION	99.59
2.4-2.58	0.1659	567	0.1394	9886	X-RAY DIFFRACTION	99.88
2.58-2.84	0.161	474	0.1383	9963	X-RAY DIFFRACTION	99.96
2.84-3.25	0.1672	498	0.1399	9958	X-RAY DIFFRACTION	99.98
3.25-4.09	0.1716	485	0.138	9978	X-RAY DIFFRACTION	100
4.09-25.17	0.1469	530	0.1405	9879	X-RAY DIFFRACTION	99.52

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	3.83398708671	-2.85228335609	2.94477093666	5.91822260502	-2.42380852077	5.22242522123	-0.0685981628626	-0.255584741043	0.378792716569	0.159080501828	-0.323561675906	-0.565451322324	-0.368824249508	0.444511858674	0.441841374493	0.197349833272	-0.0783227419751	-0.0159394445093	0.323031618391	0.0114684570268	0.258615778436	11.2780107812	-40.1797378451	27.7411518259
2	7.70649761919	0.443135678966	-1.48381962182	3.631249099	1.09870722926	2.72835935456	-0.0977856474674	-0.36744320072	-0.311022875395	0.217958503993	-0.0234658136381	0.00606523064563	-0.116436079126	0.233673192323	0.127260543744	0.221486480202	0.00323953132154	-0.0327872353358	0.273988299925	0.0289796955245	0.203661683253	11.2060703124	-58.2394354798	42.1836611465
3	1.62608931393	-0.425455172417	0.725393032171	2.44457375183	-0.490347555398	2.39360729456	-0.0227083009521	-0.34265222894	-0.0641143672271	0.103664898059	0.0552030908954	0.0976035668536	-0.0299447328719	-0.109054490165	-0.0426796220341	0.146564350552	-0.00413706788143	0.00459422136616	0.308580856176	0.0291191751433	0.168577495237	1.00245204169	-48.371114682	32.2618741335
4	6.66378920872	-1.69416352947	-3.86965339771	6.13649354244	1.36338159171	2.28959453361	-0.170415231203	-0.053371700696	-1.15883165313	0.0420167846793	0.0433148926276	0.22990265095	0.554973179264	-0.584095862032	0.0833127771359	0.233760923262	-0.0361776707127	-0.0196940016733	0.257499384523	0.00785654484119	0.288538919714	6.2327962367	-62.9820676127	36.9250176641
5	1.07883324504	0.409509855329	-0.66783153498	1.29995118781	-0.529775897014	2.0969234494	0.0840782685032	-0.0755127622216	0.0333584829497	0.121297960403	-0.0648708524621	-0.0154430500657	-0.1909509458	0.207434324031	-0.0136080295825	0.168658178753	-0.0105340236443	-0.00984064823935	0.240230709368	0.00184408406366	0.160958105588	4.72933393818	-42.8164276209	23.7747076908
6	6.06475652029	-2.44091590623	1.61175006134	2.77075677058	1.28823940855	2.63489308813	0.080459269703	0.568394993847	-0.243410017212	-0.278084427208	-0.289550113978	-0.411071607918	0.357192982676	0.165328440206	0.348586909434	0.171708466244	0.00671655994063	-0.000623550858151	0.271033442404	0.0218675067666	0.184428321464	13.7379320703	-58.1927763962	35.421935994
7	3.58538914773	-2.75463335089	-1.68303187286	3.72057851214	-2.45364258008	9.52317656494	-0.455626002467	-0.694736933299	-0.0552315839217	0.771938936008	-0.0549522337923	-0.439395062448	-0.720298461468	0.37346164484	0.459758302357	0.35833975299	0.0065739159719	-0.0571579612049	0.318316333763	0.0375930135443	0.300973656289	18.4930576558	-63.6651919782	47.1288215113
8	2.2766693222	-1.19454743612	-0.937498270326	2.31014542389	-0.0369071818424	1.8277798537	0.0270419381811	0.192820507161	-0.120520798628	-0.188386729055	-0.106655884181	0.240405898703	-0.0931595542376	-0.354749595814	0.0365082792564	0.140450048146	0.00342783234354	-0.0147766547758	0.156470734444	-0.0360565726657	0.153770395014	-21.2507241831	-35.6763650363	8.88630663341
9	0.826988967247	-0.452026101	-0.0158977241054	1.79819705625	-2.14147556323	8.71954304409	0.0521321098378	0.0476335933806	0.053171832131	-0.199626599537	-0.123381920508	0.274299584723	-0.45656376347	-0.571576267685	0.0732432708461	0.269745805843	0.0571077128936	-0.0131037403468	0.264663458864	-0.0415366867436	0.239754883549	-28.363538851	-29.1235725802	14.850986317
10	4.30479118036	-5.9957884039	4.07798042881	8.44802813277	-5.79897528924	4.19963649646	-0.0104606518739	0.609926038055	0.187370492341	-0.282846280694	-0.191447127113	-0.238551021321	-0.598155342981	0.303463588294	0.328164420698	0.302539835288	-0.00336691833188	-0.00631813160228	0.259320362	-0.0104195332397	0.186166435877	-16.3570264525	-30.0091524627	3.88604947368
11	1.47387394539	0.745004986859	0.168477778494	2.06570757082	-0.0646273666119	2.30207828315	-0.0860878657985	0.0268380303635	-0.166368215899	0.13274525393	0.0508315480364	-0.242209722091	-0.0472638059776	0.344744915003	0.0478109536129	0.199055593851	0.0204721421965	0.00620820529382	0.236086500087	0.0415756456473	0.186650219385	-16.1217933569	-35.5971783056	50.5173092672
12	5.10116221348	2.90892603477	4.58020035297	3.36055590261	3.27122992781	4.40490892384	-0.292741565853	0.373729008102	-0.0500529688888	-0.177622677566	0.162691666185	0.0216545799436	-0.270867277252	0.318531342006	0.119405972325	0.198189238064	-0.056121965679	0.0120002075993	0.213247765819	0.00920654687437	0.153156997301	-15.4421728984	-31.1693296755	39.5935797214
13	0.806167096974	0.105518786801	0.951636348925	0.565105419856	0.0380237840961	3.80162069296	-0.132913915343	0.142411379641	-0.114405155613	-0.0821719852302	0.104320176555	-0.0150255886227	-0.125699342088	0.150063938188	0.0686950124953	0.168414874284	-0.0347526516473	0.0141471406532	0.198817808121	-0.00737457412463	0.163494064542	-21.6366527016	-35.7159849329	33.4455863257
14	0.240993250904	0.203284055222	1.41420260786	0.139461381391	1.09529731126	7.72981000383	0.0233607906836	0.025542213334	-0.291908823923	-0.0989722982672	0.160672713532	-0.19266589567	0.0475661290431	0.903388369971	0.0519876738924	0.30290387718	-0.0841378832917	0.00512109943757	0.429534381802	0.00882220608713	0.255385503663	-9.0839526216	-30.0914538375	33.9849805028
15	3.51599331904	1.28312462514	0.704956205213	2.90431215535	1.05148638492	1.70675495075	-0.140599533414	0.128138796406	0.0157235638929	-0.0798523599903	0.144093994632	-0.0352206446204	-0.356916020886	0.0987265963873	-0.0219212548202	0.21287714313	-0.0323267286994	-0.0063752105456	0.187007012758	0.0195277954769	0.140682025037	-17.7688242965	-27.1971614748	45.0958517992
16	5.46849088025	1.06567846494	0.9913973629	6.51937868351	0.841692347973	7.80041124607	0.384072999065	0.0163398615273	0.235617353823	-0.0115622504626	-0.304903206001	0.617771370277	-0.443370572202	-0.347839304585	0.103699344614	0.26001869157	0.0129809356796	0.050691238357	0.269260279257	0.0338256757973	0.285217835001	-28.9855258938	-28.7974481765	44.2869389907
17	6.58597473812	0.248173968093	1.48032540581	3.51086308609	-0.738291699878	0.558179067379	-0.0280036009541	0.00385867578927	-0.310568903152	0.10822643909	-0.0585212920676	-0.121587604187	0.192490763722	-0.0831034319638	0.17929288749	0.205040655864	-0.0176626182831	-0.024899240062	0.181956014909	0.0292542105224	0.12586179109	-47.2443706781	-57.3775760255	42.4571800301
18	1.9194481403	1.12013139484	-0.774789910699	2.65026819979	-0.144972293879	3.31661393425	0.0349650791276	-0.175316103995	-0.0676950552833	0.181961003611	-0.0544280127949	-0.18225918546	-0.0352212116184	0.318640053075	0.00958376743986	0.141205565435	-0.0075835418791	-0.00808634965418	0.215893989	-0.0121101679199	0.145394488295	-39.9192180522	-48.5620515972	38.5322598406
19	5.23517901522	-2.52971207909	-0.139611682577	5.76457137987	-1.14612970343	3.69086053477	0.113628725717	-0.0800156690422	0.174885388312	0.491702044906	-0.154777337498	-0.330295806553	-0.24889282485	0.176061444694	0.0418675502756	0.240430433803	-0.062413683542	-0.0188729349391	0.232343969053	-0.030159907549	0.171517995893	-43.0461499992	-44.9395913652	44.0320765981
20	1.95757177254	1.35845222982	-0.506001934624	1.21243369552	-0.142204146256	0.474105712845	0.0507313864448	-0.0880829488025	-0.0569742557767	0.0224338911847	-0.0511972516008	-0.0694549146239	-0.0367420030715	0.0387995608795	-0.00244619999217	0.161919901534	-0.00756766020425	-0.0139431561559	0.19536041389	0.00378042561655	0.156668033757	-41.3617267	-48.6766820086	37.3763365311
21	1.8014785271	1.20351000698	0.962824228736	4.37308612734	3.32309014605	5.55729608845	-0.0697338157092	-0.104835227813	0.245338449445	0.0518908717181	-0.109594059469	0.435032039862	-0.118852904887	-0.565743340828	0.0481393834903	0.157513380572	0.0578901396314	-0.00761609256122	0.24899356009	-0.00486618233483	0.195298751095	-49.9062548902	-39.7283680101	22.4268768049
22	4.01697291176	-0.31170743119	-0.685868563396	3.19112780134	1.00388813515	0.689189423551	0.00459256287567	0.447312871377	-0.407204659444	-0.265185358649	-0.0633946228152	0.0028265294649	-0.267534434828	-0.168430789339	0.046753200669	0.230439043598	0.0115616408298	-0.0568389880155	0.297590590025	-0.0755460023463	0.267204167548	-49.6394104317	-55.8742708611	6.12602868002
23	2.02479063523	0.353589308871	0.527301327394	1.5359328668	0.769047717353	2.02863712376	0.0399078101415	0.0789384648459	-0.111550724943	-0.0770310967764	-0.018159469627	-0.0283185749246	-0.0706135839252	-0.00251371201256	-0.0246871184789	0.136415929637	0.0105686702648	-0.00226523077318	0.189615927447	-0.0101753323345	0.153684329505	-40.9960374601	-46.9940827196	18.5625367169
24	2.60627602499	2.06296542431	2.69200392221	2.73289452993	1.81197108766	4.16104947054	0.113505592795	-3.79078603631E-5	-0.227394850284	-0.201720627173	-0.0209149116752	-0.177410692652	0.238504138035	-0.145828117526	-0.162403728164	0.183030876966	0.000123368745344	0.00342146135554	0.207435032095	-0.0495321806401	0.215863640473	-55.4901625964	-59.8872248032	5.99909435005
25	6.73886935433	-0.0142493849012	0.214689746206	2.09007786248	0.908776088318	0.643899551091	-0.0676674318932	0.0113397017123	-0.380072350552	-0.0169151349851	-0.023183873054	0.149562277292	0.128012400022	0.0492951977762	0.134956700202	0.153024911372	0.0235484248196	-0.0278428914652	0.131429332882	-0.0158956870787	0.148505575843	8.46574105967	-56.7161959408	6.32327845193
26	2.95946468941	0.207427105021	-0.890734821005	1.19861417771	-0.104979881986	0.63029556708	0.0159333722735	0.002773326881	-0.39540398504	-0.0702017038487	-0.111961828745	0.066479854782	0.12532782225	-0.0467288839409	0.0916420087418	0.19051854293	0.00951576754835	-0.0246609899816	0.192390069602	-0.0186396003123	0.192843406918	-4.20005681829	-53.8395406072	7.05855754676
27	1.33422446274	-0.543816854159	-0.334328343932	1.15958936643	-0.110238040567	1.95385633606	0.000288165267249	-0.0452180855636	0.00215871765426	0.0126310143172	-0.0245389076717	-0.0448212715321	0.0131187690787	0.188989523099	0.0107015383665	0.146037293237	-0.00531657932913	-0.00511289748557	0.168857715166	-0.00230818142894	0.148046300645	4.37816848721	-45.9827323451	13.0882847374
28	6.05735281881	-0.344396688173	-2.40529861581	3.35667117446	1.72961107583	6.13831380313	0.37409540359	-0.145297837391	0.460197898574	-0.126363421308	-0.231513440725	-0.183917325944	-0.614400930608	0.135551534301	-0.0451143269351	0.276755266449	-0.0218658671788	0.0293882354891	0.21884075019	0.0155648188355	0.228334932728	10.593753293	-38.4333413685	9.85118258639
29	5.40291036298	1.89631176139	-0.820511288855	1.94058944568	-0.455109774196	1.15786295869	-0.107283415952	0.296032124423	-0.187569732951	-0.180196695711	0.0563342125137	0.0884670270308	0.00536693291632	-0.169887104413	0.0514869955399	0.188923379498	0.012848054602	-0.0194271840056	0.196261042014	-0.0218829601291	0.197911051449	0.393615673373	-49.9271802753	3.04119847064
30	2.92613822783	-3.88717963001	2.82885010464	5.22781131302	-3.84841615642	2.8934363924	-0.202795460685	-0.0904118539101	0.334261322044	0.174598785922	0.107197032213	-0.31221964304	-0.412296749489	0.194329430893	0.25506405229	0.183560140146	-0.0113212797377	-0.00933646942286	0.242711833957	-0.00181889470746	0.198921281052	18.1107302682	-46.714229536	6.26560117016
31	2.36137734989	-0.84795965065	-0.01374164866	0.588162589155	-0.075360831445	0.59628136036	0.0472073977165	-0.204538749458	-0.0678440493192	-0.0114947423834	-0.00210377293536	0.0595061739268	-0.0181755022075	0.0047738009759	-0.0389225399075	0.168194093397	0.00190877089194	0.00436686665019	0.168786929856	-0.00746301428902	0.17390205158	-5.91752941163	-45.4179573239	16.2123446754
32	9.55938317203	-0.128258534925	-2.68850936258	0.211881425707	0.1426105194	2.45171076468	-0.104864800545	0.0939067496137	-0.0100702366659	-0.00569483574905	0.0864170035415	0.0239482669985	0.0788890993196	0.101807092241	0.0111728513679	0.163193794127	0.0385863953309	-0.0105794478405	0.146560236039	0.0117226979321	0.191105802177	11.2696598006	-54.7186828455	11.1212432877

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'C' and (resid 145 through 154 )	C	A	145 - 154	1 - 10
2	2	chain 'C' and (resid 155 through 163 )	C	A	155 - 163	11 - 19
3	3	chain 'C' and (resid 164 through 224 )	C	A	164 - 224	20 - 80
4	4	chain 'C' and (resid 225 through 232 )	C	A	225 - 232	81 - 88
5	5	chain 'C' and (resid 233 through 252 )	C	A	233 - 252	89 - 108
6	6	chain 'C' and (resid 253 through 258 )	C	A	253 - 258	109 - 114
7	7	chain 'C' and (resid 259 through 263 )	C	A	259 - 263	115 - 119
8	8	chain 'X' and (resid 1 through 45 )	X	C	1 - 45	1 - 45
9	9	chain 'X' and (resid 46 through 60 )	X	C	46 - 60	46 - 60
10	10	chain 'X' and (resid 61 through 72 )	X	C	61 - 72	61 - 72
11	11	chain 'Z' and (resid 1 through 21 )	Z	D	1 - 21	1 - 21
12	12	chain 'Z' and (resid 22 through 28 )	Z	D	22 - 28	22 - 28
13	13	chain 'Z' and (resid 29 through 45 )	Z	D	29 - 45	29 - 45
14	14	chain 'Z' and (resid 46 through 55 )	Z	D	46 - 55	46 - 55
15	15	chain 'Z' and (resid 56 through 68 )	Z	D	56 - 68	56 - 68
16	16	chain 'Z' and (resid 69 through 74 )	Z	D	69 - 74	69 - 74
17	17	chain 'I' and (resid 1 through 17 )	I	F	1 - 17	1 - 17
18	18	chain 'I' and (resid 18 through 60 )	I	F	18 - 60	18 - 60
19	19	chain 'I' and (resid 61 through 76 )	I	F	61 - 76	61 - 76
20	20	chain 'I' and (resid 77 through 133 )	I	F	77 - 133	77 - 133
21	21	chain 'M' and (resid 145 through 154 )	M	G	145 - 154	1 - 10
22	22	chain 'M' and (resid 155 through 163 )	M	G	155 - 163	11 - 19
23	23	chain 'M' and (resid 164 through 252 )	M	G	164 - 252	20 - 108
24	24	chain 'M' and (resid 253 through 264 )	M	G	253 - 264	109 - 120
25	25	chain 'B' and (resid 1 through 17 )	B	H	1 - 17	1 - 17
26	26	chain 'B' and (resid 18 through 32 )	B	H	18 - 32	18 - 32
27	27	chain 'B' and (resid 33 through 60 )	B	H	33 - 60	33 - 60
28	28	chain 'B' and (resid 61 through 67 )	B	H	61 - 67	61 - 67
29	29	chain 'B' and (resid 68 through 83 )	B	H	68 - 83	68 - 83
30	30	chain 'B' and (resid 84 through 91 )	B	H	84 - 91	84 - 91
31	31	chain 'B' and (resid 92 through 118 )	B	H	92 - 118	92 - 118
32	32	chain 'B' and (resid 119 through 133 )	B	H	119 - 133	119 - 133

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