PDB-5o14: Co-crystal structure of a cross-reactive bactericidal human antib...

ID or keywords:

Entry

Database: PDB / ID: 5o14

Title

Co-crystal structure of a cross-reactive bactericidal human antibody targeting meningococcal vaccine antigen factor H binding protein

Components

Fab 1A12 Heavy Chain
Fab 1A12 Light Chain
Factor H binding protein variant 1.1

Keywords

IMMUNE SYSTEM / Human Fab / factor H binding protein / outer membrane / infection

Function / homology

Function and homology information

bacterial extracellular vesicle / cell outer membrane
Similarity search - Function

Biological species

Neisseria meningitidis serogroup B (bacteria)

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.195 Å

Authors

Lopez-Sagaseta, J.

Funding support

Italy, 1items

Citation

Journal: Nat Commun / Year: 2018
Title: Crystal structure reveals vaccine elicited bactericidal human antibody targeting a conserved epitope on meningococcal fHbp.
Authors: Lopez-Sagaseta, J. / Beernink, P.T. / Bianchi, F. / Santini, L. / Frigimelica, E. / Lucas, A.H. / Pizza, M. / Bottomley, M.J.

History

Deposition	May 18, 2017	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Feb 14, 2018	Provider: repository / Type: Initial release
Revision 1.1	Feb 21, 2018	Group: Database references / Category: citation Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2	Jan 17, 2024	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 / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5o14.cif.gz	523.1 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	5o14_validation.pdf.gz	479.3 KB	Display	wwPDB validaton report
Full document	5o14_full_validation.pdf.gz	495 KB	Display
Data in XML	5o14_validation.xml.gz	57.5 KB	Display
Data in CIF	5o14_validation.cif.gz	83.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/o1/5o14 ftp://data.pdbj.org/pub/pdb/validation_reports/o1/5o14	HTTPS FTP

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Related structure data

Related structure data	5ur8C 2ypvS 4jqiS 4ypgS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6w41-d 6yor-2 7dpm-1 6jjp-1 7dpm-2 3bgf-1 1zuw-d 6zlr-1 6zlr-2 7mmo-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	#21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #244 - Apr 2020 Photosynthetic Supercomplexes similarity (1) #59 - Nov 2004 Photosystem II similarity (1) #261 - Sep 2021 DNA-Sequencing Nanopores similarity (1) #22 - Oct 2001 Photosystem I similarity (1) #262 - Oct 2021 Fifty Years of Open Access to PDB Structures similarity (1) #29 - May 2002 Penicillin-binding Proteins similarity (1) #95 - Nov 2007 Multidrug Resistance Transporters similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#21 - Sep 2001
Antibodies
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SARS-CoV-2 Spike and Antibodies
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Photosynthetic Supercomplexes
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#59 - Nov 2004
Photosystem II
similarity (1)
#261 - Sep 2021
DNA-Sequencing Nanopores
similarity (1)
#22 - Oct 2001
Photosystem I
similarity (1)
#262 - Oct 2021
Fifty Years of Open Access to PDB Structures
similarity (1)
#29 - May 2002
Penicillin-binding Proteins
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Multidrug Resistance Transporters
similarity (1)

Deposited unit

A: Factor H binding protein variant 1.1

B: Factor H binding protein variant 1.1

C: Fab 1A12 Heavy Chain

D: Fab 1A12 Light Chain

L: Fab 1A12 Light Chain

H: Fab 1A12 Heavy Chain

hetero molecules

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

1

A: Factor H binding protein variant 1.1

L: Fab 1A12 Light Chain

H: Fab 1A12 Heavy Chain

hetero molecules

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

2

B: Factor H binding protein variant 1.1

C: Fab 1A12 Heavy Chain

D: Fab 1A12 Light Chain

hetero molecules

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

Unit cell

Length a, b, c (Å)	42.822, 163.951, 110.656
Angle α, β, γ (deg.)	90.000, 97.700, 90.000
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	chain A
2	1	chain B
1	2	chain C
2	2	chain H
1	3	chain D
2	3	chain L

NCS domain segments:

Component-ID: 1

Dom-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	ALA	ALA	GLN	GLN	chain A	A	A	14 - 255	8 - 249
2	1	GLY	GLY	LEU	LEU	chain B	B	B	15 - 256	9 - 250
1	2	GLU	GLU	LYS	LYS	chain C	C	C	1 - 223	1 - 223
2	2	GLU	GLU	PRO	PRO	chain H	H	F	1 - 222	1 - 222
1	3	ASP	ASP	CYS	CYS	chain D	D	D	1 - 215	2 - 216
2	3	ASP	ASP	ARG	ARG	chain L	L	E	1 - 212	2 - 213

NCS ensembles :

ID
1
2
3

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Protein , 1 types, 2 molecules AB

#1: Protein	Factor H binding protein variant 1.1 Mass: 27699.939 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Neisseria meningitidis serogroup B (strain MC58) (bacteria) Gene: NMB1870 / Variant: 1.1 / Plasmid: pET21b / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q9JXV4

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Antibody , 2 types, 4 molecules CHDL

#2: Antibody	Fab 1A12 Heavy Chain Mass: 25461.578 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell: Plasmablasts / Plasmid: pET21b / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Rosetta pLysS
#3: Antibody	Fab 1A12 Light Chain Mass: 23670.326 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell: Plasmablasts / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Rosetta pLysS

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Non-polymers , 3 types, 922 molecules

#4: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₂H₆O₂
#5: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 917 / 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: 2.51 Å³/Da / Density % sol: 50.9 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 4 / Details: 0.2 M sodium malonate pH 4.0, 17% PEG 3350

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

ESRF

/ Beamline: ID29 / Wavelength: 0.977175 Å

Detector

Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Nov 20, 2015

Radiation

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

Radiation wavelength

Wavelength: 0.977175 Å / Relative weight: 1

Reflection

Resolution: 2.195→48.92 Å / Num. obs: 74270 / % possible obs: 96.4 % / Redundancy: 5.6 % / B_iso Wilson estimate: 27.42 Å² / CC_1/2: 0.987 / R_merge(I) obs: 0.219 / R_pim(I) all: 0.101 / R_rim(I) all: 0.242 / Net I/σ(I): 6.7

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	CC_1/2	R_pim(I) all	R_rim(I) all	% possible all
2.2-2.24	4.3	1.388	0.263	0.737	1.58	68.1
10.75-48.92	5.3	0.054	0.998	0.025	0.06	97.8

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Phasing

Phasing

Method:

molecular replacement

Phasing MR

Model details: Phaser MODE: MR_AUTO

	Highest resolution	Lowest resolution
Rotation	5.76 Å	42.37 Å
Translation	5.76 Å	42.37 Å

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Processing

Software

Name	Version	Classification
PHENIX	1.8.2_1309	refinement
Aimless	0.5.26	data scaling
PDB_EXTRACT	3.22	data extraction
PHASER		phasing
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2YPV, 4YPG and 4JQI

2ypv

4ypg

4jqi

Resolution: 2.195→48.913 Å / SU ML: 0.36 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.87
Details: Final strategy = individual_sites + individual_adp + tls + occupancies

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2496	3601	4.85 %	Random selection
R_work	0.1915	-	-	-
obs	0.1943	74214	96.35 %	-

Solvent computation

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

Displacement parameters

B_iso max: 182.17 Å² / B_iso mean: 30.3 Å² / B_iso min: 9.48 Å²

Refinement step

Cycle: final / Resolution: 2.195→48.913 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9919	0	14	941	10874
B_iso mean	-	-	36.21	35.4	-
Num. residues	-	-	-	-	1331

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	10143
X-RAY DIFFRACTION	f_angle_d	0.978	13765
X-RAY DIFFRACTION	f_chiral_restr	0.037	1566
X-RAY DIFFRACTION	f_plane_restr	0.004	1773
X-RAY DIFFRACTION	f_dihedral_angle_d	13.098	3564

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Rms	Type
1	1	A	1964	X-RAY DIFFRACTION	8.025	TORSIONAL
1	2	B	1964	X-RAY DIFFRACTION	8.025	TORSIONAL
2	1	C	1947	X-RAY DIFFRACTION	8.025	TORSIONAL
2	2	H	1947	X-RAY DIFFRACTION	8.025	TORSIONAL
3	1	D	1925	X-RAY DIFFRACTION	8.025	TORSIONAL
3	2	L	1925	X-RAY DIFFRACTION	8.025	TORSIONAL

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 26

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.1951-2.224	0.3347	74	0.3046	1806	1880	63
2.224-2.2544	0.3717	100	0.3128	2214	2314	76
2.2544-2.2866	0.3864	125	0.3049	2310	2435	85
2.2866-2.3208	0.3854	130	0.2882	2565	2695	92
2.3208-2.357	0.3429	135	0.2788	2813	2948	98
2.357-2.3957	0.3196	145	0.2597	2780	2925	99
2.3957-2.437	0.3129	154	0.2448	2763	2917	100
2.437-2.4813	0.3109	141	0.2399	2818	2959	100
2.4813-2.529	0.3147	140	0.2433	2851	2991	100
2.529-2.5806	0.2954	146	0.2349	2748	2894	100
2.5806-2.6368	0.3304	139	0.244	2815	2954	99
2.6368-2.6981	0.3294	152	0.2317	2810	2962	100
2.6981-2.7656	0.2786	135	0.2285	2754	2889	99
2.7656-2.8403	0.3305	154	0.2103	2823	2977	100
2.8403-2.9239	0.2498	134	0.2092	2796	2930	100
2.9239-3.0183	0.2478	120	0.2012	2824	2944	100
3.0183-3.1261	0.2519	135	0.2018	2804	2939	100
3.1261-3.2512	0.2624	141	0.203	2855	2996	100
3.2512-3.3992	0.2503	159	0.1902	2745	2904	99
3.3992-3.5783	0.2245	162	0.17	2825	2987	100
3.5783-3.8025	0.2447	162	0.1693	2762	2924	100
3.8025-4.0959	0.1846	152	0.1444	2811	2963	100
4.0959-4.5078	0.2045	141	0.1224	2825	2966	100
4.5078-5.1595	0.1407	148	0.1102	2813	2961	99
5.1595-6.4981	0.187	141	0.1545	2832	2973	100
6.4981-48.9247	0.2156	136	0.1807	2851	2987	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	0.0888	0.0146	0.1592	0.2554	0.0976	-0.0228	0.1402	0.0712	-0.0658	-0.1537	-0.1523	-0.0611	0.0474	-0.0257	0.0003	0.1952	0.0001	-0.0078	0.2197	0.0195	0.2212	-47.4397	-28.5245	31.1075
2	0.1333	0.0038	0.0004	0.1041	0.0833	0.0715	0.1596	0.0872	-0.034	-0.2183	-0.1985	0.1827	-0.1465	-0.1567	-0.052	-0.1692	-0.0221	0.0772	0.2738	0.0796	0.1885	-54.1756	-5.3696	35.9408
3	0.074	-0.0178	0.0076	0.166	0.1765	0.2676	0.0011	-0.0022	0.0095	0.0488	-0.0478	-0.0761	-0.0252	-0.1012	-0.0417	0.1038	-0.0659	-0.0034	0.1552	0.0199	0.1253	-47.0128	-10.8806	44.3039
4	0.0837	0.0736	0.0274	0.0891	0.0242	0.0155	0.0721	0.0414	0.0372	-0.0657	0.1052	-0.0868	-0.021	-0.0231	0.0209	0.8881	0.0375	0.2771	0.411	0.0526	0.3277	-20.5595	25.5099	-3.8042
5	0.0641	0.0779	-0.0354	0.0882	-0.0412	0.0409	-0.0619	-0.079	0.0808	-0.1703	-0.0424	0.0816	0.0496	0.0369	-0.0065	1.0679	-0.075	-0.1018	0.3397	-0.0373	0.2576	-36.6347	21.6737	-2.5051
6	0.0298	-0.0251	-0.0097	0.041	-0.036	0.1536	0.1276	0.1049	0.161	-0.1384	-0.021	-0.0262	-0.0198	-0.0905	0.0142	0.9268	-0.1575	0.0502	0.2038	0.0751	0.0375	-32.0577	32.9985	-1.8874
7	0.0231	-0.009	0.0287	0.0062	-0.0147	0.0575	0.0784	0.0321	0.081	-0.3489	-0.0743	-0.1726	-0.0855	0.0474	-0.0264	0.6344	-0.1277	0.1247	0.331	-0.0109	0.2155	-25.4839	22.7369	0.5266
8	0.3285	0.2266	0.1519	0.4003	0.1737	0.4661	-0.1985	-0.0038	0.1149	-0.2445	-0.043	0.0682	-0.4149	0.0659	-0.2639	0.455	-0.0767	0.0991	0.1109	-0.0003	0.2007	-35.0013	27.8885	6.0856
9	0.131	0.0981	-0.0312	0.0744	-0.0196	0.0159	-0.0879	0.0562	0.0755	-0.0947	0.064	0.1356	0.0299	-0.0451	-0.0763	0.512	-0.0188	0.0743	0.1467	0.0252	0.1977	-41.5127	27.2232	9.7478
10	-0.0054	0.004	-0.0304	0.022	-0.0191	0.0415	0.0183	-0.0912	-0.0976	-0.2733	-0.0324	-0.2902	-0.0179	0.0705	-0	0.3625	-0.0239	0.013	0.2937	-0.0486	0.2818	-26.7264	3.9858	7.8078
11	0.0058	-0.0279	-0.0111	0.0164	-0.0399	0.0685	0.0196	0.0318	-0.0397	-0.0877	-0.0289	-0.2535	-0.0203	0.1691	-0	0.2945	-0.0393	0.0154	0.2341	-0.0097	0.188	-28.9899	7.8634	17.4873
12	0.0238	-0.0003	-0.036	0.0061	0.0077	0.0316	-0.1303	-0.13	-0.0669	0.1051	-0.1192	-0.0128	-0.0086	0.0878	-0.0002	0.153	-0.0266	-0.0101	0.2122	0.0013	0.1672	-33.5983	12.5802	23.6083
13	0.0495	-0.0408	0.0227	0.0457	-0.0234	0.0072	0.0623	-0.0397	-0.1245	-0.1172	0.1033	0.0756	-0.0112	-0.0636	0	0.2398	-0.0302	0.0071	0.1316	0.0047	0.1699	-38.5122	4.5915	14.1123
14	0.0463	0.02	0.0514	0.0261	0.0227	0.0471	0.05	0.045	0.0749	-0.2744	0.1094	-0.0493	-0.1382	-0.0843	-0.0004	0.2104	-0.036	0.0536	0.1393	0.0162	0.1483	-32.4877	9.3847	11.2121
15	0.0314	0.0228	-0.01	0.0371	0.0451	-0.0014	-0.0027	-0.0093	0.0114	-0.0486	0.0103	-0.1042	-0.1248	0.0871	0.0232	0.1789	0.0311	0.0813	0.164	0.0275	0.1581	-33.9128	15.9881	17.3232
16	0.0759	-0.0589	0.0846	0.1105	-0.0998	0.0889	-0.1117	0.1438	0.0176	-0.0704	0.0175	-0.118	-0.2028	0.0509	-0.0013	0.1942	-0.0195	-0.005	0.1842	0.0082	0.2109	-19.8558	28.6787	41.8005
17	0.027	0.0425	-0.0026	0.0573	0.0069	0.0433	0.2171	-0.0968	-0.2438	-0.1331	-0.0236	-0.0661	-0.1129	-0.0044	0.0008	0.151	-0.0082	-0.0433	0.2401	0.025	0.2001	-30.2724	26.8698	45.9825
18	0.0191	-0.011	0.0077	0.0159	-0.0151	0.0086	-0.1193	-0.0256	0.0681	-0.102	-0.0019	0.2206	0.0204	0.0446	-0	0.4562	0.0272	-0.0237	0.2057	0.0332	0.2191	-31.0421	32.9894	35.9162
19	0.1043	-0.038	0.0565	0.0606	-0.0766	0.2231	-0.0771	-0.0292	-0.0127	-0.1121	0.0723	-0.0733	-0.248	-0.0686	0.006	0.1471	0.001	-0.0024	0.1245	0.0006	0.1622	-21.5735	28.7888	46.4376
20	0.0612	-0.0485	0.009	0.103	-0.0606	0.2513	0.0119	0.0428	-0.0985	0.1528	-0.0599	-0.073	-0.134	0.0009	0.0118	0.1172	0.0228	-0.0195	0.1743	0.0061	0.2039	-11.2436	20.9599	69.27
21	0.0656	-0.0682	-0.0907	0.052	0.0554	0.229	0.1376	0.0097	-0.0512	0.1492	-0.062	-0.0983	-0.2103	0.2347	0.0262	0.1922	-0.0204	-0.0507	0.2566	0.0145	0.2268	-4.3781	19.797	67.6615
22	0.0213	0.0249	-0.0231	0.0591	-0.0306	0.0664	0.0405	-0.0435	-0.0588	-0.1876	-0.0015	-0.04	0.0171	-0.0273	0.0528	0.0125	-0.0217	-0.0179	0.1657	0.0346	0.18	-35.2411	11.2043	48.3867
23	0.0354	0.0206	0.0363	0.0408	-0.0106	0.0544	0.212	-0.0936	-0.0253	0.2066	-0.0563	-0.0499	-0.0285	-0.0894	0.1124	0.1142	-0.1615	-0.07	0.2482	0.0451	0.1739	-29.077	6.9753	68.3442
24	0.0089	0.0029	-0.0035	0.0476	0.0021	0.0376	-0.0607	0.0029	-0.0096	0.2792	0.0657	-0.057	0.018	-0.0789	0	0.1451	-0.0061	-0.0249	0.1567	-0.014	0.1695	-14.9573	20.306	79.6787
25	0.1803	-0.2163	-0.1603	0.4633	0.1804	0.3251	0.1357	0.0149	-0.0777	0.5721	-0.0522	0.3763	-0.1787	-0.3066	0.0425	0.3762	-0.0481	-0.009	0.1717	-0.0066	0.0883	-17.5758	20.0869	82.6397
26	0.027	-0.0189	0.0685	0.0468	0.0102	0.1091	0.1146	-0.122	-0.1311	0.1372	-0.2206	-0.1618	0.0373	0.2734	-0.0622	0.1757	-0.07	-0.08	0.1439	-0.0266	0.1481	-39.6417	-12.7306	82.4034
27	0.0707	-0.0108	0.0508	0.1364	-0.0815	0.0837	-0.0316	0.0335	0.0137	0.0381	-0.0022	0.0535	-0.0568	0.0549	-0.0011	0.1368	-0.0336	-0.0284	0.1745	-0.0049	0.1333	-45.7953	-12.917	74.6514
28	0.0039	-0.0159	0.002	0.0043	-0.0089	0.0085	0.0276	-0.0246	0.1027	0.055	0.1582	0.0712	-0.0067	-0.0244	-0.0001	0.2887	-0.0189	0.0447	0.156	-0.019	0.1669	-50.4504	-8.9214	96.961
29	0.0063	0.0257	-0.0224	-0.0022	-0.0064	0.0162	-0.1427	-0.176	0.0856	0.1386	0.1932	0.0916	-0.0428	-0.1239	-0	0.2521	0.0311	0.0267	0.2432	0.0418	0.2398	-64.7466	-22.7897	108.2129
30	0.0009	0.0271	0.0049	0.0778	0.0663	0.0344	-0.0462	-0.1459	0.1933	0.0316	0.2773	0.0749	0.0525	0.1342	0.0022	0.2834	0.0414	0.0164	0.2438	0.0186	0.1866	-57.8289	-20.4662	103.9199
31	0.04	-0.049	0.0407	0.1123	-0.0711	0.0095	-0.082	-0.1554	-0.1144	0.3723	0.1365	-0.1063	-0.0708	-0.0635	0.0097	0.3489	0.0694	0.1047	0.279	0.0593	0.1969	-64.0525	-23.4263	114.5986
32	0.1967	0.037	0.1677	0.1599	-0.0765	0.2293	-0.236	0.1489	0.1924	0.1476	-0.1505	0.0691	0.5393	-0.2121	-0.2682	0.399	-0.1223	0.1634	0.1633	0.0888	0.1517	-62.1228	-35.084	75.9173
33	0.115	-0.0319	-0.1212	0.0463	0.0296	0.0884	-0.0017	0.0762	-0.053	0.0891	0.0623	-0.1313	0.098	-0.0875	0.0213	0.2069	-0.0714	-0.0067	0.1448	0.0067	0.1781	-58.0932	-27.8143	66.0261
34	0.0567	0.0227	-0.0069	0.0726	0.0079	0.004	-0.0744	-0.0956	-0.0931	0.0466	-0.028	0.0146	0.1968	0.1623	-0.001	0.2981	0.0055	0.0037	0.2277	-0.009	0.1357	-48.7947	-31.8513	68.615
35	0.0729	-0.1497	-0.2141	0.0773	-0.0209	0.0642	-0.2145	-0.0524	0.1269	-0.2079	0.1747	0.0888	0.495	-0.0625	-0.0709	0.3788	-0.0641	0.0342	0.1345	0.034	0.1453	-58.0114	-30.5923	74.4433
36	0.0883	0.0565	-0.0501	0.0283	-0.006	0.04	-0.2002	-0.026	0.1107	0.1857	0.1745	0.2085	0.246	-0.0886	-0.0018	0.2838	0.0201	-0.0007	0.2234	0.0384	0.2654	-68.4738	-23.3951	97.0969
37	0.0423	0.0003	-0.0505	0.0151	-0.0396	0.0799	-0.1473	0.0577	-0.0099	0.0785	0.1725	0.2808	0.2478	-0.1207	0.0002	0.2371	-0.0099	0.0157	0.3059	0.095	0.3141	-74.9098	-21.9546	95.4642

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 14 through 136 )	A	14 - 136
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 137 through 157 )	A	137 - 157
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 158 through 255 )	A	158 - 255
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 15 through 31 )	B	15 - 31
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 32 through 44 )	B	32 - 44
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 45 through 58 )	B	45 - 58
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 59 through 72 )	B	59 - 72
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 73 through 114 )	B	73 - 114
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 115 through 136 )	B	115 - 136
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 137 through 157 )	B	137 - 157
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 158 through 182 )	B	158 - 182
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 183 through 197 )	B	183 - 197
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 198 through 219 )	B	198 - 219
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 220 through 242 )	B	220 - 242
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 243 through 256 )	B	243 - 256
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 1 through 39 )	C	1 - 39
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 40 through 52 )	C	40 - 52
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 53 through 67 )	C	53 - 67
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 68 through 133 )	C	68 - 133
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 134 through 184 )	C	134 - 184
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 185 through 223 )	C	185 - 223
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 1 through 102 )	D	1 - 102
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 103 through 114 )	D	103 - 114
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 115 through 151 )	D	115 - 151
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 152 through 215 )	D	152 - 215
26	X-RAY DIFFRACTION	26	chain 'L' and (resid 1 through 25 )	L	1 - 25
27	X-RAY DIFFRACTION	27	chain 'L' and (resid 26 through 102 )	L	26 - 102
28	X-RAY DIFFRACTION	28	chain 'L' and (resid 103 through 114 )	L	103 - 114
29	X-RAY DIFFRACTION	29	chain 'L' and (resid 115 through 151 )	L	115 - 151
30	X-RAY DIFFRACTION	30	chain 'L' and (resid 152 through 175 )	L	152 - 175
31	X-RAY DIFFRACTION	31	chain 'L' and (resid 176 through 212 )	L	176 - 212
32	X-RAY DIFFRACTION	32	chain 'H' and (resid 1 through 17 )	H	1 - 17
33	X-RAY DIFFRACTION	33	chain 'H' and (resid 18 through 39 )	H	18 - 39
34	X-RAY DIFFRACTION	34	chain 'H' and (resid 40 through 67 )	H	40 - 67
35	X-RAY DIFFRACTION	35	chain 'H' and (resid 68 through 133 )	H	68 - 133
36	X-RAY DIFFRACTION	36	chain 'H' and (resid 134 through 184 )	H	134 - 184
37	X-RAY DIFFRACTION	37	chain 'H' and (resid 185 through 222 )	H	185 - 222

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