PDB-8gbv: Crystal structure of PC39-17A, an anti-HIV broadly neutralizing a...

ID or keywords:

Entry

Database: PDB / ID: 8gbv

Title

Crystal structure of PC39-17A, an anti-HIV broadly neutralizing antibody

Components

PC39-17A Fab heavy chain
PC39-17A Fab light chain

Keywords

IMMUNE SYSTEM / Antibody / Broadly Neutralizing / HIV-1 / V3 Glycan

Function / homology

Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta / ACETATE ION

Function and homology information

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.08 Å

Authors

Murrell, S. / Omorodion, O. / Wilson, I.A.

Funding support

United States, 2items

Organization	Grant number	Country
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)	UM1 AI144462	United States
Bill & Melinda Gates Foundation	OPP119635	United States

Citation

Journal: Plos Pathog. / Year: 2023
Title: Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Authors: Joyce, C. / Murrell, S. / Murrell, B. / Omorodion, O. / Ver, L.S. / Carrico, N. / Bastidas, R. / Nedellec, R. / Bick, M. / Woehl, J. / Zhao, F. / Burns, A. / Barman, S. / Appel, M. / Ramos, ...

History

Deposition	Feb 28, 2023	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 7, 2023	Provider: repository / Type: Initial release
Revision 1.1	Jun 14, 2023	Group: Database references / Category: citation / Item: _citation.title
Revision 1.2	Jul 12, 2023	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.3	Nov 13, 2024	Group: Data collection / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_entry_details / pdbx_modification_feature Item: _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	8gbv.cif.gz	424.1 KB	Display	PDBx/mmCIF format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/gb/8gbv ftp://data.pdbj.org/pub/pdb/validation_reports/gb/8gbv	HTTPS FTP

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Related structure data

Related structure data	8gbwC 8gbxC 8gbyC 8gbzC 8gc0C 8gc1C C: citing same article (ref.)
Similar structure data	Similarity search - Function & homologyF&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) #163 - Jul 2013 HIV Capsid similarity (1)

Deposited unit

H: PC39-17A Fab heavy chain

L: PC39-17A Fab light chain

A: PC39-17A Fab heavy chain

B: PC39-17A Fab light chain

hetero molecules

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

1

H: PC39-17A Fab heavy chain

L: PC39-17A Fab light chain

hetero molecules

defined by author
Evidence: gel filtration
50.7 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

A: PC39-17A Fab heavy chain

B: PC39-17A Fab light chain

hetero molecules

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

Unit cell

Length a, b, c (Å)	43.519, 48.969, 113.878
Angle α, β, γ (deg.)	93.073, 98.259, 102.488
Int Tables number	1
Space group name H-M	P1
Space group name Hall	P1
Symmetry operation	#1: x,y,z

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
d_1	ens_1	(chain "A" and (resid 1 through 2 or resid 4...
d_2	ens_1	(chain "H" and (resid 1 through 2 or resid 4...
d_1	ens_2	(chain "B" and (resid 0 through 6 or resid 8...
d_2	ens_2	(chain "L" and (resid 0 through 6 or resid 8...

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
d_1	1	ens_1	GLN	GLN	VAL	VAL	A	C	1 - 2	1 - 2
d_1	2	ens_1	LEU	LEU	LEU	LEU	A	C	4	4
d_1	3	ens_1	GLN	GLN	ARG	ARG	A	C	6 - 31	6 - 40
d_1	4	ens_1	ASP	ASP	THR	THR	A	C	31 - 131	42 - 157
d_1	5	ens_1	ALA	ALA	VAL	VAL	A	C	136 - 142	162 - 168
d_1	6	ens_1	ASP	ASP	ILE	ILE	A	C	144 - 195	170 - 221
d_1	7	ens_1	ASN	ASN	LYS	LYS	A	C	197 - 214	223 - 240
d_2	1	ens_1	GLN	GLN	VAL	VAL	H	A	1 - 2	1 - 2
d_2	2	ens_1	LEU	LEU	LEU	LEU	H	A	4	4
d_2	3	ens_1	GLN	GLN	ARG	ARG	H	A	6 - 31	6 - 40
d_2	4	ens_1	ASP	ASP	VAL	VAL	H	A	31 - 142	42 - 168
d_2	5	ens_1	ASP	ASP	ILE	ILE	H	A	144 - 195	170 - 221
d_2	6	ens_1	ASN	ASN	LYS	LYS	H	A	197 - 214	223 - 240
d_1	1	ens_2	HIS	HIS	GLN	GLN	B	D	0 - 6	1 - 7
d_1	2	ens_2	PRO	PRO	GLU	GLU	B	D	8 - 17	9 - 18
d_1	3	ens_2	ALA	ALA	SER	SER	B	D	19 - 27	20 - 29
d_1	4	ens_2	SER	SER	TYR	TYR	B	D	29 - 52	31 - 54
d_1	5	ens_2	ARG	ARG	LEU	LEU	B	D	54 - 78	56 - 80
d_1	6	ens_2	PRO	PRO	PRO	PRO	B	D	80 - 113	82 - 116
d_1	7	ens_2	VAL	VAL	LYS	LYS	B	D	115 - 126	118 - 129
d_1	8	ens_2	GLY	GLY	TYR	TYR	B	D	128 - 173	131 - 176
d_1	9	ens_2	LEU	LEU	GLU	GLU	B	D	175 - 213	178 - 216
d_2	1	ens_2	HIS	HIS	GLN	GLN	L	B	0 - 6	1 - 7
d_2	2	ens_2	PRO	PRO	GLU	GLU	L	B	8 - 17	9 - 18
d_2	3	ens_2	ALA	ALA	SER	SER	L	B	19 - 27	20 - 29
d_2	4	ens_2	SER	SER	TYR	TYR	L	B	29 - 52	31 - 54
d_2	5	ens_2	ARG	ARG	LEU	LEU	L	B	54 - 78	56 - 80
d_2	6	ens_2	PRO	PRO	PRO	PRO	L	B	80 - 113	82 - 116
d_2	7	ens_2	VAL	VAL	LYS	LYS	L	B	115 - 126	118 - 129
d_2	8	ens_2	GLY	GLY	TYR	TYR	L	B	128 - 173	131 - 176
d_2	9	ens_2	LEU	LEU	GLU	GLU	L	B	175 - 213	178 - 216

NCS ensembles :

ID
ens_1
ens_2

NCS oper:

ID	Code	Matrix	Vector
1	given	(-0.999990562048, -0.00385052868885, -0.00201227312434), (-0.00423676181886, 0.761693366872, 0.647923810886), (-0.000962114130862, 0.647926221334, -0.761702491819)	33.9063437316, 47.9869126856, -131.041005545
2	given	(-0.999987201364, 0.00481809910251, 0.00154370638478), (0.00465947307979, 0.758142376621, 0.652072408619), (0.00197140025938, 0.65207125584, -0.758155123235)	34.2484320857, 48.3517047927, -130.753637849

#1: Antibody	PC39-17A Fab heavy chain Mass: 26194.371 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#2: Antibody	PC39-17A Fab light chain Mass: 23839.430 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: The N-terminal residue (H) originates from the signal peptide Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#3: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 17 / Source method: obtained synthetically / Formula: C₂H₆O₂
#4: Chemical	ChemComp-ACT / ACETATE ION Mass: 59.044 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₂H₃O₂
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 565 / 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: 2.33 Å³/Da / Density % sol: 47.31 %
Crystal grow	Temperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 8 Details: 0.2 M calcium acetate, 0.1 M imidazole (pH 8), 10% w/v PEG 8000

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.0332 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 25, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.0332 Å / Relative weight: 1
Reflection	Resolution: 2.08→50 Å / Num. obs: 53284 / % possible obs: 98.1 % / Redundancy: 4.4 % / B_iso Wilson estimate: 21.88 Å² / CC_1/2: 0.76 / R_pim(I) all: 0.13 / R_sym value: 0.24 / Net I/σ(I): 7.2
Reflection shell	Resolution: 2.08→2.12 Å / Redundancy: 4.4 % / Mean I/σ(I) obs: 1.2 / Num. unique obs: 2603 / CC_1/2: 0.38 / R_pim(I) all: 0.88 / R_sym value: 1.58 / % possible all: 96.9

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Processing

Software

Name	Version	Classification
PHENIX	1.19.2_4158	refinement
HKL-2000		data reduction
SCALEPACK		data scaling
PHASER	2.8.3	phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.08→47.63 Å / SU ML: 0.288 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 26.2737
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2303	2580	4.84 %
R_work	0.1928	50680	-
obs	0.1946	53260	97.59 %

Solvent computation

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

Displacement parameters

B_iso mean: 30.48 Å²

Refinement step

Cycle: LAST / Resolution: 2.08→47.63 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6949	0	72	565	7586

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0033	7317
X-RAY DIFFRACTION	f_angle_d	0.6526	9949
X-RAY DIFFRACTION	f_chiral_restr	0.0456	1092
X-RAY DIFFRACTION	f_plane_restr	0.0053	1277
X-RAY DIFFRACTION	f_dihedral_angle_d	11.7908	2659

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Refine-ID	Type	Rms dev position (Å)
ens_1	d_2	H	X-RAY DIFFRACTION	Torsion NCS	0.534743973787
ens_2	d_2	L	X-RAY DIFFRACTION	Torsion NCS	0.368693453273

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 (%)
2.08-2.12	0.3568	146	0.2928	2516	X-RAY DIFFRACTION	88.23
2.12-2.16	0.34	138	0.2922	2792	X-RAY DIFFRACTION	96.96
2.16-2.21	0.3589	142	0.2736	2797	X-RAY DIFFRACTION	97.22
2.21-2.26	0.326	134	0.26	2818	X-RAY DIFFRACTION	97.2
2.26-2.31	0.3096	143	0.2568	2834	X-RAY DIFFRACTION	97.32
2.32-2.38	0.291	132	0.2494	2800	X-RAY DIFFRACTION	97.54
2.38-2.45	0.2969	135	0.2342	2848	X-RAY DIFFRACTION	97.74
2.45-2.53	0.2748	124	0.2315	2844	X-RAY DIFFRACTION	97.73
2.53-2.62	0.2663	164	0.2271	2779	X-RAY DIFFRACTION	97.87
2.62-2.72	0.3005	157	0.2174	2868	X-RAY DIFFRACTION	98.15
2.72-2.85	0.2359	155	0.2169	2785	X-RAY DIFFRACTION	98.2
2.85-3	0.2607	145	0.205	2839	X-RAY DIFFRACTION	98.35
3-3.18	0.2399	160	0.1909	2808	X-RAY DIFFRACTION	98.6
3.18-3.43	0.2057	137	0.1806	2882	X-RAY DIFFRACTION	98.69
3.43-3.77	0.1866	158	0.1522	2849	X-RAY DIFFRACTION	98.98
3.77-4.32	0.1683	135	0.1398	2866	X-RAY DIFFRACTION	99.24
4.32-5.44	0.1285	136	0.1275	2891	X-RAY DIFFRACTION	99.12
5.44-47.63	0.1833	139	0.1591	2864	X-RAY DIFFRACTION	99.47

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	2.01762103734	-0.555338289806	-0.235073357235	2.29290316506	0.240148512296	1.8719504215	0.0559173697382	-0.376086420656	0.344740222774	0.598932262784	-0.0652491983624	0.253222362259	0.176125018481	0.190830595885	0.00634332541084	0.256370650341	-0.00893886533369	0.0583056117464	0.138293273757	-0.0932804049592	0.319339468753	31.8181842594	-3.461460123	-45.4815565452
2	1.31939371335	0.244777874636	-0.643851328932	1.33675235307	0.284583578302	1.40066131584	0.0127429918751	0.0273443672225	0.327929808606	0.10053424856	0.0153570632532	0.0569903530903	-0.0378220414676	0.0875748406161	-0.024803680415	0.155934715651	0.0314247278708	-0.00729578241147	0.0504615778171	-0.00985319460915	0.250511254819	36.0207878525	-4.07868772301	-58.2985043139
3	2.38108728384	-0.57883390675	-0.0918071459266	4.81761898302	-0.42833217674	2.65312306716	0.0262190649977	-0.599990455456	-0.0871309570886	0.129120468775	0.14521346722	-0.243418697059	0.027845476542	0.0913484470601	-0.192175786792	0.148556111246	0.0227643023034	-0.0252772482212	0.293102490438	-0.0126827262006	0.191111600415	13.6479702882	-18.8775137311	-35.3834700968
4	2.58601915737	0.906967673764	-0.256446007566	5.17426143251	0.414801933868	3.54417390765	0.10291915202	-1.15369485441	-0.593195172568	0.681278664636	0.109300535816	-0.225192635291	0.258406971221	0.0606554855903	-0.210147974231	0.255941165968	0.0819561919927	-0.0514827508155	0.484598454591	0.114031163516	0.345007961593	14.57022879	-25.709251702	-29.5848096985
5	3.7361009561	1.16274593028	-0.585555230565	7.54419377786	-0.768554036205	3.30975546883	0.0731593907494	0.316547994963	-0.0570862552897	-0.455630655401	-0.111003866025	0.507141300656	0.194578421828	-0.224867593424	0.0366482544197	0.124809851955	0.00769013848513	-0.00210734490624	0.140886313846	-0.094938125043	0.189923609381	19.5517185489	-20.8469793163	-68.6290221583
6	1.3460621866	0.546738501938	-0.142918707165	0.261780676993	0.00033799219073	1.05007395747	-0.102927583769	0.207408380446	-0.174499137852	0.0458574541542	-0.00776271412684	-0.0237497651509	0.262688823344	0.0306103947226	0.0704719128579	0.16654365347	0.01220632842	0.0171107515418	0.0834360148285	-0.0450127613189	0.207654324118	27.7113850649	-16.8603562728	-67.4178085663
7	1.37579489485	0.709445601127	-0.341356996132	0.987887913849	0.210455325797	0.376658823715	-0.179178877687	0.444401567123	-0.556468546543	-0.112477993567	0.0935414674978	-0.214868576509	0.2165700934	0.069983208112	0.0334406204862	0.222160575863	-0.00453808383703	0.0174954854964	0.133144340189	-0.108814760147	0.344181708955	29.9870914556	-23.8232918517	-67.6757237092
8	1.75793657103	0.416130101575	-0.531889946948	0.484238397526	-0.575349596306	0.569110584048	-0.0451971212176	-0.2656211307	-0.128919005744	0.0420286791125	-0.0303027117849	-0.0564089849498	-0.0964760680802	-0.0421203348801	0.0919580659884	0.18828023449	0.0271158183794	-0.0281675347508	0.132900058755	0.00160413519432	0.196265840602	12.5411697892	-20.4550166311	-49.7361937091
9	3.41039436427	-2.22086651855	-1.6832215276	3.00535670241	1.81648576603	1.87481932283	-0.0253104442537	-0.183990957586	-0.24558673944	0.0200222863467	0.085653539092	-0.0678963541328	0.0394441120204	0.104516498657	-0.0522549694335	0.193216516716	0.0149561395966	-0.01257278751	0.0789223807612	0.0142659114832	0.21723087209	3.93352685696	-24.3848018033	-46.3854412934
10	3.85580632442	-1.09452642833	-0.351429401192	5.29083834539	2.45419827681	3.3648025223	-0.0201831407903	-0.583163385719	-0.50975274604	0.258999275341	-0.186837201032	0.209408055215	0.0947970596028	-0.365019080467	0.191204521026	0.152150215549	0.0298808309227	-0.015891110712	0.20886467714	0.0977714260953	0.24775766151	-5.20993075003	-23.5529622991	-39.215950047
11	5.46969228636	1.54078776592	1.90470519555	2.00361730978	1.94553106	3.70685928383	0.136743215658	0.752698552949	0.715891231418	-0.358414949631	0.136092884789	0.442462250706	-0.261601049038	0.188527280541	-0.0854874193064	0.328500034709	-0.0567718323483	-0.113277376141	0.430756231651	0.140454463676	0.277239034416	2.29506924353	16.0096892397	-98.152833686
12	2.12195264925	1.60941205163	-1.5585797356	2.4434959187	-1.12469447818	2.73549915848	-0.0256199062194	0.239527265669	0.169051527661	-0.0815861963793	0.105864187615	0.168925875484	-0.118786820057	-0.105674428254	-0.0545099923382	0.167579768372	-0.0238454449489	-0.026362299869	0.259842296825	0.0525168388167	0.152847218388	-4.33374204223	6.8260655205	-89.7781556969
13	2.97687452868	1.32422731503	-2.27276509557	2.78494574066	-1.45094652056	3.106073971	0.339083757249	-0.500322463278	0.0601898043669	0.406052359529	-0.241779805343	-0.117679971953	-0.306174961189	0.55070459929	-0.00627473216738	0.293293649076	-0.0738785331538	-0.0155804833816	0.344330960951	0.0342878291647	0.189662513794	3.1392076607	11.2005458871	-81.1547395067
14	3.44440772485	1.9399926567	-2.06371698577	2.62027807054	-0.968034146667	3.07623210992	0.152051590783	-0.0607724521992	0.601822483503	0.263361153569	-0.0406228962696	0.140280937511	-0.47116686456	0.24057034769	-0.165736393562	0.221758508863	-0.0584800670286	0.00385154492151	0.296500008435	0.0447677654843	0.206329254626	2.26812470558	16.9017801243	-89.7079672678
15	1.08157520882	0.386723221098	-0.993414643889	0.842711371077	-0.981313436048	2.45404480637	-0.0973202028799	0.565995483759	0.267303977169	-0.11579851407	0.153262371386	0.114054973537	-0.0513892761483	-0.114906583234	-0.147655386908	0.144562616926	-0.0229240638447	-0.0335796333474	0.396459313625	0.0712392221531	0.21332596724	0.130407302203	4.60138941372	-93.9786879152
16	0.310512349224	0.0621623365417	-0.476555328003	2.10632119801	0.442404480346	2.33282447914	-0.0851351968589	0.430549892591	0.154962075197	-0.28605222762	0.0457306346478	-0.279681257146	0.300349728616	0.419630626694	-0.0297273469212	0.301345369182	-0.0390948466665	-0.103158397981	1.37284678384	0.107681720853	0.26485520115	29.0239897897	6.0090004968	-126.602740889
17	1.12507005314	0.491795423618	0.0486797428412	1.153101219	0.609671847756	1.95792156954	0.183073701396	0.688553256422	0.504549574538	0.0745406542388	-0.0576085790785	0.49606230058	-0.34563325167	0.236875499588	0.00850910704005	0.162702531966	-0.0826611765	-0.162938291015	1.18886823148	0.0894428005724	0.153692469283	19.5006648269	8.51693320248	-119.625508489
18	2.42294820826	-0.0510859461822	-0.758043777167	1.35014226801	0.743314978521	2.49222175012	-0.00363463846842	0.540179753301	0.211171136271	-0.381602148091	0.0960435801886	0.0667101630727	-0.416551594494	0.165079210032	-0.121158767801	0.419342390464	-0.158795378475	0.00184156927639	1.17499953291	0.15929242703	0.425788129274	21.1832157882	14.2334251421	-127.635808801
19	4.04366567874	-2.11159000108	-3.00173796003	3.74357192153	2.4603696534	4.23341365588	-0.147734672723	0.316676677301	-0.230852348015	-0.225258145419	0.187118180981	-0.183290698809	-0.0451434764643	0.703926585327	-0.091803544975	0.157316613987	0.0134252860838	0.0179342415015	0.452405441152	0.0275364085517	0.203495379686	14.3058263581	-12.7017998891	-92.6229393906
20	0.552641892899	-0.19633545152	-1.00871773161	1.28311620892	-0.421296749597	2.58616835014	-0.139070450622	0.522392941571	-0.0819934802618	-0.156437447177	0.0350311718776	-0.106218770654	0.0385969266489	0.0611760233247	0.110547646937	0.140303128796	-0.0532829464836	-0.00335192184831	0.379018051495	-0.0276903525453	0.196727008861	6.38196421685	-8.12716509922	-90.884987447
21	2.34288025723	0.163534330208	-0.981891429853	1.62197438287	0.704847786969	0.752797997583	-0.0548325603735	0.647765847308	-0.28051430913	-0.142215761438	0.069195217263	-0.0232827999317	0.142843914644	-0.224362972696	-0.0368039215701	0.159718493638	-0.0495913630468	0.00628136459806	0.38163501158	-0.0421596651418	0.181307031914	1.59186644766	-14.8997683347	-91.5012178401
22	0.886281193319	-0.188427371944	-0.47773266598	1.74471950952	-2.1149477493	3.07776750318	-0.00424071182231	0.617455639515	-0.335093259128	-0.331105833617	-0.170660091301	-0.157935852486	0.0850479633718	-0.274732378538	0.18445402716	0.158732276107	-0.0577169978077	0.01546446129	0.620223900655	-0.0536061350327	0.206321488834	8.14005324065	-11.3258754519	-99.5762530243
23	1.10245837932	-0.393243113574	-1.68542491973	0.421551710962	0.603364565976	2.7074256831	-0.228012128584	0.371903003373	0.0190556971213	-0.0379912312411	0.219077494132	-0.134164443387	0.147139460823	0.333819896008	0.0113634210396	0.216094827468	-0.0543149088209	-0.00526988541065	0.649948458232	-0.0196324330272	0.193486663632	14.1722042273	-7.37454833442	-95.938084721
24	2.18825687057	0.752810557702	-0.0994834012528	0.784562057254	0.449548556518	0.344821876218	0.0151220466217	0.639449658	0.1824255874	0.0496935700505	0.0459645811708	0.0379217981561	-0.121677853693	0.0232807694657	-0.0331287483706	0.272013029977	-0.102594830417	-0.041217669439	0.947585841144	0.104190298564	0.253506751957	33.4144216811	4.7299245571	-114.282108286
25	0.874701924964	0.0705800019891	0.0355951585487	1.71007294864	0.069557352509	1.08285520579	-0.143815499199	0.605864321615	0.0675374291954	-0.0346955219775	0.0672337146366	-0.146824127526	0.027082553584	-0.0356731968083	0.0746548676388	0.292003573581	-0.12527794352	-0.0156986158032	0.917132006636	0.03438626927	0.244545636513	34.4090302468	2.08091427099	-115.531729974

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 'H' and (resid 1 through 17 )	H	A	1 - 17	1 - 17
2	2	chain 'H' and (resid 18 through 109 )	H	A	18 - 109	18 - 135
3	3	chain 'H' and (resid 110 through 175 )	H	A	110 - 175	136 - 195
4	4	chain 'H' and (resid 176 through 214 )	H	A	176 - 214	196 - 234
5	5	chain 'L' and (resid 0 through 18 )	L	B	0 - 18	1 - 19
6	6	chain 'L' and (resid 19 through 48 )	L	B	19 - 48	20 - 50
7	7	chain 'L' and (resid 49 through 90 )	L	B	49 - 90	51 - 92
8	8	chain 'L' and (resid 91 through 128 )	L	B	91 - 128	93 - 131
9	9	chain 'L' and (resid 129 through 174 )	L	B	129 - 174	132 - 177
10	10	chain 'L' and (resid 175 through 213 )	L	B	175 - 213	178 - 216
11	11	chain 'A' and (resid 1 through 17 )	A	C	1 - 17	1 - 17
12	12	chain 'A' and (resid 18 through 51 )	A	C	18 - 51	18 - 62
13	13	chain 'A' and (resid 52 through 66 )	A	C	52 - 66	63 - 77
14	14	chain 'A' and (resid 67 through 87 )	A	C	67 - 87	78 - 101
15	15	chain 'A' and (resid 88 through 119 )	A	C	88 - 119	102 - 145
16	16	chain 'A' and (resid 120 through 134 )	A	C	120 - 134	146 - 158
17	17	chain 'A' and (resid 135 through 203 )	A	C	135 - 203	159 - 227
18	18	chain 'A' and (resid 204 through 215 )	A	C	204 - 215	228 - 239
19	19	chain 'B' and (resid 0 through 18 )	B	D	0 - 18	1 - 19
20	20	chain 'B' and (resid 19 through 48 )	B	D	19 - 48	20 - 50
21	21	chain 'B' and (resid 49 through 75 )	B	D	49 - 75	51 - 77
22	22	chain 'B' and (resid 76 through 90 )	B	D	76 - 90	78 - 92
23	23	chain 'B' and (resid 91 through 113 )	B	D	91 - 113	93 - 116
24	24	chain 'B' and (resid 114 through 163 )	B	D	114 - 163	117 - 166
25	25	chain 'B' and (resid 164 through 213 )	B	D	164 - 213	167 - 216

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