PDB-8u70: Crystal structure of malaria transmission-blocking anti-Pfs48/45 ...

ID or keywords:

Entry

Database: PDB / ID: 8u70

Title

Crystal structure of malaria transmission-blocking anti-Pfs48/45 antibody RUPA-58.

Components

Antibody RUPA-58 Heavy chain
Antibody RUPA-58 Kappa chain

Keywords

IMMUNE SYSTEM / Pfs48/45 / human transmission-blocking antibodies / Malaria

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.09 Å

Authors

Hailemariam, S. / Ivanochko, D. / Julien, J.P.

Funding support

Canada,

United States, 5items

Organization	Grant number	Country
Canadian Institutes of Health Research (CIHR)	428410	Canada
CIFAR Azrieli Global Scholars		Canada
Ontario Early Researcher Awards		Canada
Canada Research Chairs		Canada
Bill & Melinda Gates Foundation	OPP1170236	United States

Citation

Journal: Nat Struct Mol Biol / Year: 2025
Title: Structural elucidation of full-length Pfs48/45 in complex with potent monoclonal antibodies isolated from a naturally exposed individual.
Authors: Iga Kucharska / Danton Ivanochko / Sophia Hailemariam / Maartje R Inklaar / Hee Ryung Kim / Karina Teelen / Rianne Stoter / Marga van de Vegte-Bolmer / Geert-Jan van Gemert / Anthony Semesi ...
Abstract: Biomedical interventions that block the transmission of Plasmodium falciparum (Pf) from humans to mosquitoes may be critical for malaria elimination. Pfs48/45, a gamete-surface protein essential for ...

History

Deposition	Sep 14, 2023	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 18, 2024	Provider: repository / Type: Initial release
Revision 1.1	Nov 20, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature
Revision 1.2	Jun 11, 2025	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.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.3	Aug 20, 2025	Group: Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8u70.cif.gz	991.6 KB	Display	PDBx/mmCIF format
PDB format	pdb8u70.ent.gz	833.7 KB	Display	PDB format
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Validation report

Summary document	8u70_validation.pdf.gz	470.4 KB	Display	wwPDB validaton report
Full document	8u70_full_validation.pdf.gz	479.3 KB	Display
Data in XML	8u70_validation.xml.gz	92.2 KB	Display
Data in CIF	8u70_validation.cif.gz	117.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/u7/8u70 ftp://data.pdbj.org/pub/pdb/validation_reports/u7/8u70	HTTPS FTP

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Related structure data

Related structure data	41821C 41822C 8u1pC C: citing same article (ref.)

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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)

Deposited unit

A: Antibody RUPA-58 Kappa chain

C: Antibody RUPA-58 Kappa chain

E: Antibody RUPA-58 Kappa chain

I: Antibody RUPA-58 Kappa chain

K: Antibody RUPA-58 Kappa chain

B: Antibody RUPA-58 Heavy chain

D: Antibody RUPA-58 Heavy chain

F: Antibody RUPA-58 Heavy chain

J: Antibody RUPA-58 Heavy chain

L: Antibody RUPA-58 Heavy chain

G: Antibody RUPA-58 Kappa chain

H: Antibody RUPA-58 Heavy chain

287 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Antibody RUPA-58 Kappa chain

B: Antibody RUPA-58 Heavy chain

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

2

C: Antibody RUPA-58 Kappa chain

D: Antibody RUPA-58 Heavy chain

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

3

E: Antibody RUPA-58 Kappa chain

F: Antibody RUPA-58 Heavy chain

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

4

I: Antibody RUPA-58 Kappa chain

J: Antibody RUPA-58 Heavy chain

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

5

K: Antibody RUPA-58 Kappa chain

L: Antibody RUPA-58 Heavy chain

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

6

G: Antibody RUPA-58 Kappa chain

H: Antibody RUPA-58 Heavy chain

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

Unit cell

Length a, b, c (Å)	164.513, 164.513, 92.276
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	145
Space group name H-M	P3₂

#1: Antibody	Antibody RUPA-58 Kappa chain Mass: 23470.133 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell (production host): epithelial / Cell line (production host): 293F / Production host: Homo sapiens (human) / Tissue (production host): embryonic kidney
#2: Antibody	Antibody RUPA-58 Heavy chain Mass: 24416.352 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell (production host): epithelial / Cell line (production host): 239F / Production host: Homo sapiens (human) / Tissue (production host): embryonic kidney
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: 2.51 Å³/Da / Density % sol: 51.04 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.2 M sodium acetate, 30% PEG 8000, 0.1 M sodium cacodylate, 20% ethylene glycol

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Data collection

Diffraction	Mean temperature: 80 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.0332 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 25, 2022
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.0332 Å / Relative weight: 1
Reflection	Resolution: 3.09→29.46 Å / Num. obs: 51007 / % possible obs: 99.7 % / Redundancy: 9.5 % / B_iso Wilson estimate: 51.7 Å² / CC_1/2: 0.957 / R_pim(I) all: 0.152 / Net I/σ(I): 3.6
Reflection shell	Resolution: 3.09→3.2 Å / Redundancy: 9 % / Mean I/σ(I) obs: 1.4 / Num. unique obs: 5024 / CC_1/2: 0.336 / R_pim(I) all: 0.517 / % possible all: 99

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Processing

Software

Name	Version	Classification
XDS		data reduction
XDS		data scaling
PHASER		phasing
PHENIX	(1.20.1_4487)	refinement

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 3.09→29.46 Å / SU ML: 0.47 / Cross valid method: FREE R-VALUE / σ(F): 1.38 / Phase error: 28.66 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2631	1798	3.53 %
R_work	0.2231	-	-
obs	0.2245	51007	99.92 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 3.09→29.46 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	19914	0	0	0	19914

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.004	20388
X-RAY DIFFRACTION	f_angle_d	0.907	27720
X-RAY DIFFRACTION	f_dihedral_angle_d	14.35	7356
X-RAY DIFFRACTION	f_chiral_restr	0.056	3096
X-RAY DIFFRACTION	f_plane_restr	0.007	3552

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 (%)
3.09-3.17	0.353	136	0.317	3739	X-RAY DIFFRACTION	100
3.17-3.27	0.3774	136	0.3129	3755	X-RAY DIFFRACTION	100
3.27-3.37	0.3871	134	0.3069	3850	X-RAY DIFFRACTION	100
3.37-3.49	0.361	148	0.2816	3762	X-RAY DIFFRACTION	100
3.49-3.63	0.3073	138	0.2498	3820	X-RAY DIFFRACTION	100
3.63-3.8	0.2714	133	0.2315	3778	X-RAY DIFFRACTION	100
3.8-4	0.2481	146	0.2285	3780	X-RAY DIFFRACTION	100
4-4.25	0.255	136	0.2002	3763	X-RAY DIFFRACTION	100
4.25-4.57	0.2392	135	0.1829	3824	X-RAY DIFFRACTION	100
4.57-5.03	0.235	138	0.188	3783	X-RAY DIFFRACTION	100
5.03-5.75	0.2378	150	0.1942	3807	X-RAY DIFFRACTION	100
5.76-7.23	0.2445	139	0.2308	3784	X-RAY DIFFRACTION	100
7.23-29.46	0.1974	129	0.1929	3764	X-RAY DIFFRACTION	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	5.8239	3.74	0.7989	2.1138	2.1987	4.4754	0.348	0.1668	0.2077	0.1215	-0.5579	0.1771	-0.1949	-0.0662	0.1554	0.4748	0.0368	-0.0377	0.4247	0.0197	0.2816	13.693	24.6559	-8.3264
2	4.5877	1.7983	-1.5651	4.205	-1.6329	1.8717	-0.4313	0.5196	0.0458	-0.8272	0.0812	0.057	0.0213	-0.2083	0.1054	0.503	-0.0404	-0.0846	0.4182	0.0094	0.2985	4.8662	20.281	-7.5144
3	3.2374	1.129	0.1782	0.7751	0.1982	0.1858	-0.0214	-0.0344	0.0354	-0.0673	-0.0775	-0.0051	0.1322	0.1331	0.0806	0.4431	0.0852	-0.0002	0.3937	0.0362	0.2956	19.5175	27.9881	1.9196
4	6.2676	-1.8814	2.7768	2.442	-0.9439	2.9746	0.095	0.0322	-0.5068	0.3866	-0.1578	-0.1341	0.2321	0.4993	-0.1422	0.4555	-0.0132	0.0076	0.6027	0.0912	0.589	38.1333	26.3297	9.3455
5	6.0713	-1.8028	2.7682	1.7892	-0.8916	1.9877	0.2466	0.3714	0.6331	0.2087	-0.4914	-0.4214	0.3015	0.5539	0.2834	0.3863	-0.052	0.0986	0.7463	0.1376	0.439	48.1149	30.9951	6.995
6	2.8682	0.125	2.789	9.2659	1.2866	3.4394	0.1063	-0.401	-0.4094	0.8693	-0.2142	-0.1851	0.1282	-0.0269	-0.0109	0.5078	0.0131	-0.034	0.365	0.0252	0.3926	-20.4597	75.6841	14.9914
7	1.1118	-0.9112	0.6643	5.7069	1.1558	3.0681	-0.056	-0.1598	-0.0817	0.514	-0.2612	0.4403	0.1039	-0.0242	0.2497	0.3464	-0.0992	0.0251	0.4652	0.0482	0.3803	-23.4983	84.8347	11.7109
8	2.2894	1.898	-0.943	7.6265	1.548	2.4037	0.1321	-0.051	0.0008	0.593	-0.348	0.6607	0.3227	-0.5096	0.2188	0.4196	0.0506	-0.0184	0.5086	0.0545	0.3368	-26.5916	77.3236	8.8009
9	0.2858	0.1949	0.2827	5.0502	2.6221	1.7204	0.0455	0.1131	-0.1045	0.376	0.0958	0.0908	0.4476	0.0611	-0.0771	0.4265	-0.0342	0.0096	0.4743	0.0249	0.39	-18.3403	62.8331	1.1107
10	4.612	-1.8062	-0.2087	3.4737	2.8211	2.5379	-0.0557	0.0874	-0.3553	0.8394	-0.0284	-0.2568	0.734	-0.2131	-0.2261	0.5958	0.0113	0.0099	0.5775	-0.0724	0.6578	-17.871	49.8026	2.0167
11	6.9046	-2.8468	1.4052	6.4536	-2.253	3.8852	0.4145	0.6833	-0.0743	-0.4726	-0.3857	0.9927	0.4898	-0.0907	0.128	0.5178	-0.1301	-0.0455	0.4921	-0.1606	0.5865	-17.5826	53.5291	1.4208
12	1.2812	-0.4295	-1.9991	4.086	2.997	5.8797	0.3315	-0.1226	0.073	0.1937	0.2668	-1.3228	0.098	1.1747	-0.5961	0.2869	0.0693	-0.0287	0.76	-0.085	0.6635	-11.5792	47.4293	-5.5875
13	6.4021	-3.5968	-3.5061	7.5948	3.9613	6.5924	-0.6142	-0.7951	-0.7647	0.9286	0.8745	-0.5205	2.0087	0.9614	0.0147	0.6956	0.2129	0.0337	0.6514	-0.0211	0.4732	-13.0434	39.7238	-0.618
14	5.4508	-2.3457	-3.7047	6.1118	3.3419	8.0061	-1.301	-0.2878	-0.506	1.6016	0.3971	1.0265	2.2136	0.5849	0.5887	0.9633	0.001	0.1155	0.521	0.1002	0.6925	-20.5175	40.4064	3.6916
15	4.304	-1.4267	-0.6292	2.9955	0.5388	2.0078	0.1523	-0.2724	0.1889	-0.1403	-0.8667	0.7403	-0.1408	0.9009	0.2009	0.5861	0.0144	0.0213	0.5221	-0.0867	0.4325	-8.9915	26.7975	62.4003
16	3.5087	-0.638	-0.7215	3.4609	0.2901	1.2713	-0.1891	-0.3452	0.3205	0.5218	0.0932	-0.1091	-0.0764	0.102	0.0437	0.503	-0.0337	-0.1079	0.4526	-0.0113	0.3633	0.6273	25.7845	59.0162
17	3.4673	-0.8963	-0.3099	3.785	1.4221	1.6843	-0.1792	-0.3096	0.6377	-0.3323	0.2	0.0723	-0.2686	-0.0858	0.1642	0.4716	0.0357	-0.0472	0.3898	0.0303	0.3274	-8.2283	28.4367	56.9821
18	7.6799	1.5026	3.1661	0.2277	0.4812	1.7593	-0.6617	0.4339	1.1524	-0.1267	0.0097	0.5964	-0.3015	0.4572	0.767	0.6154	-0.0245	-0.1048	0.3775	-0.0182	0.8674	-36.8753	33.2515	46.2979
19	4.802	1.0859	0.3722	3.4966	1.4328	2.8792	-0.1727	0.0173	0.9257	-0.0511	-0.2553	0.9919	-0.3296	-0.2503	0.419	0.5697	0.0212	-0.1192	0.4315	-0.0067	0.5853	-33.8816	30.4041	48.068
20	3.3445	1.7583	-0.044	1.739	-0.0496	0.0104	-0.1131	0.7702	0.7027	0.1723	-0.096	0.9259	-0.1803	0.0389	0.5339	0.6054	0.1132	-0.1591	0.6319	-0.1343	0.732	-46.9515	30.6461	48.9969
21	7.0126	3.7684	1.8147	2.5804	1.4495	0.9617	-0.4908	-0.5263	0.7844	-0.038	-0.3666	1.0798	0.0874	-0.281	0.6806	0.5086	0.1381	-0.0811	0.6693	-0.062	1.0418	-40.7707	37.9876	54.9879
22	2.1046	-1.0098	1.3113	4.2561	-0.1148	5.5349	-0.049	0.4059	-0.4075	-0.1287	-0.1502	-0.2309	0.0352	0.5473	0.1371	0.2799	0.0422	0.1113	0.569	0.0233	0.4694	-57.2312	41.1234	17.5326
23	3.7701	-4.4167	-2.1596	5.9129	2.138	3.8739	-0.2532	-0.1453	-0.0203	0.2797	0.1207	-0.0754	0.4995	0.1769	0.2158	0.4079	-0.0038	0.0699	0.4127	0.0838	0.3894	-56.5479	33.8767	20.1109
24	4.8759	1.5533	-1.3354	4.7402	-3.2246	6.2385	-0.1099	0.6404	-0.241	-0.3668	0.2953	0.0545	1.0096	-0.2427	-0.1427	0.6211	-0.0039	-0.0146	0.5027	-0.0918	0.46	-61.4771	5.2761	27.6445
25	2.0231	1.1579	0.8163	6.2464	-0.4504	4.3443	-0.2915	0.4074	0.4768	0.5098	0.1318	-0.1421	-0.0828	0.3612	-0.1805	0.4848	-0.1361	0.0541	0.4855	0.0127	0.4096	-56.8621	56.4653	-4.5938
26	4.5133	0.5393	1.3133	3.9429	1.2387	7.5387	0.0193	0.2315	-0.4704	-0.1968	0.0483	-0.6843	0.0651	0.5983	-0.0355	0.3348	-0.0404	-0.0039	0.3769	0.0584	0.4297	-57.3671	48.8169	-10.4209
27	1.7751	0.2697	-0.3802	0.4671	0.768	1.6722	-0.2699	-0.1111	0.3526	0.494	-0.2042	-0.3837	-1.249	0.6281	0.0095	0.8281	-0.546	-0.1063	0.9007	0.5115	1.0836	-41.9543	66.4003	-11.8011
28	2.8777	0.0695	-0.305	3.7783	-2.5276	3.4563	0.191	0.1377	0.5151	0.8777	-0.084	-0.167	-1.0657	0.2796	-0.0997	0.7635	-0.2049	0.0712	0.548	0.0632	0.8553	-43.6186	81.7135	-26.7723
29	4.0785	1.3467	1.2379	1.6912	0.5067	1.7332	0.0222	0.1706	0.1217	0.0466	-0.1	-0.0113	-0.123	0.1294	0.0762	0.3651	0.0046	0.0207	0.3543	0.0525	0.2621	9.7253	16.5988	14.3648
30	2.9076	2.4411	-0.5154	7.6462	0.0425	1.7492	0.2494	-0.5926	0.4628	0.9217	-0.3332	-0.1976	-0.1146	0.0476	0.0447	0.5652	-0.0425	-0.1058	0.5074	-0.0095	0.456	29.7431	30.9592	22.3552
31	2.9999	-1.8902	-0.5817	3.8032	1.5437	2.358	0.6093	0.117	-0.1503	-0.5083	-0.0946	0.1264	-0.1675	-0.0269	-0.1214	0.4481	-0.0378	0.001	0.3443	0.0005	0.5435	-13.0407	80.6779	-13.5506
32	2.7046	-0.9008	0.8337	2.7809	1.1705	1.7211	-0.0204	-0.1606	0.017	-0.3389	0.1683	0.0087	-0.127	-0.1283	-0.1203	0.3288	-0.0274	0.0376	0.3767	0.0476	0.4311	-13.0601	90.287	-6.0833
33	3.1899	-1.2772	0.3031	3.5613	0.5646	1.3501	0.0375	-0.2453	0.4942	-0.5809	-0.1094	-1.0249	-0.4786	0.1659	-0.2163	0.4705	-0.0601	0.0114	0.5294	-0.0198	0.5951	-3.796	90.3369	-7.01
34	3.1092	-1.7449	0.3422	3.6338	0.4522	1.7128	-0.0061	0.1973	0.2105	0.1333	-0.1843	-0.4328	-0.0108	0.4267	-0.1626	0.3664	-0.1305	0.0134	0.4213	0.0453	0.5521	-7.0041	84.9681	-11.4408
35	2.1956	-0.5317	-0.2817	2.5264	0.4895	1.5855	-0.118	-0.1381	0.1498	0.6027	0.1442	0.0206	0.2216	-0.0314	-0.0547	0.3713	-0.0448	-0.0023	0.4143	0.0346	0.4107	-15.8982	84.3923	-4.8477
36	1.8012	0.1296	-0.0285	4.7724	0.9944	3.613	0.1658	-0.1079	-0.4575	0.0773	-0.0801	1.0428	0.9189	-0.6168	-0.051	0.5717	-0.1487	-0.1754	0.542	-0.0023	0.8097	-21.8227	48.9761	-11.0207
37	1.0741	0.8358	-0.9278	4.9377	0.5964	4.6404	0.2431	-0.3662	-0.2494	-0.2885	-0.1846	0.5484	0.3802	-0.5347	-0.1557	0.333	-0.066	-0.0514	0.4454	-0.0468	0.634	-20.721	58.4345	-11.2418
38	0.4113	0.1828	-0.8079	4.5608	0.4955	3.6332	-0.0482	0.3178	0.0827	-0.5713	0.2152	0.9172	0.5051	-0.4645	-0.0947	0.5596	-0.0631	-0.1903	0.5737	-0.0404	0.6592	-23.3473	55.4691	-20.7466
39	4.646	0.1522	1.4911	2.6005	0.1226	1.0127	0.0596	-0.0859	-0.1236	-0.084	-0.0063	-0.1185	-0.2325	-0.151	-0.0182	0.4626	-0.0048	-0.0197	0.3771	0.0087	0.2472	-1.478	14.3398	40.6553
40	4.6157	-0.8348	-0.0624	2.787	0.8466	4.0964	0.0573	0.5731	0.8852	-0.8119	-0.0773	0.4071	-1.0496	-0.1791	-0.0397	0.713	-0.0184	-0.0904	0.616	0.1797	0.7761	-30.0284	35.0198	34.7221
41	1.4217	0.5709	0.6005	4.8938	-0.1595	1.0842	0.1746	-0.4407	-0.2808	0.4666	-0.2157	-0.4206	-0.331	-0.1154	0.0265	0.404	-0.0062	0.0768	0.4043	0.0165	0.4131	-65.7982	37.0895	43.5193
42	2.6292	0.7808	0.1816	4.2483	-1.0067	1.1268	-0.0378	0.0224	0.194	0.019	0.1655	0.2082	0.1081	-0.04	-0.0136	0.2634	-0.0186	0.0382	0.4545	0.0073	0.278	-68.2984	46.2633	36.1427
43	1.7933	0.7815	0.0014	4.2139	-0.643	-0.0085	-0.0722	0.1026	0.1451	0.0292	0.1785	0.3977	0.1427	0.1658	-0.0434	0.4368	0.057	0.0644	0.4186	-0.0496	0.3675	-72.6371	41.5767	38.6071
44	1.4344	-0.5436	0.538	7.2915	-1.4177	1.67	0.0922	0.1285	-0.2439	-0.3101	-0.0605	-0.2421	0.2835	0.1419	0.0284	0.3197	0.0843	0.0008	0.4846	-0.0033	0.2282	-60.3392	24.9591	35.6469
45	2.9855	2.577	-1.1348	2.8263	0.3143	3.679	0.0381	0.087	0.0538	-0.3537	0.2585	-0.2931	-0.1654	0.5847	-0.2683	0.6122	-0.0304	-0.1127	0.3975	-0.0541	0.5147	-51.6309	14.9951	41.8229
46	3.1388	2.8191	-0.3942	3.0999	0.1452	3.88	0.1907	0.0956	-0.4016	0.3855	-0.0166	-0.336	0.4302	0.1154	-0.1053	0.5147	0.0568	-0.0008	0.375	-0.0239	0.4385	-55.0243	9.4777	42.6602
47	2.1817	0.5406	-0.9731	6.8123	-1.8225	2.6736	-0.1402	1.0007	0.6444	-0.4661	0.0797	-0.967	0.611	-0.2218	0.0048	0.4168	-0.1305	0.0505	0.5086	-0.0802	0.3934	-64.8356	55.2117	-34.218
48	2.4266	0.6699	-0.9811	5.6765	-2.1838	1.6817	0.1022	-0.039	0.0419	0.0273	-0.0161	0.0657	-0.0608	0.2882	-0.1425	0.3105	-0.0179	-0.0518	0.3831	-0.0154	0.2819	-70.6371	47.2165	-27.0437
49	3.2208	0.1661	-0.1367	6.6388	-2.1038	1.6475	0.0475	-0.0087	0.2167	-0.1118	0.1787	0.3156	0.1732	0.0027	-0.235	0.3719	-0.1331	-0.0258	0.3201	0.0395	0.2819	-72.0846	53.6003	-32.2129
50	2.5659	0.1885	-0.4694	2.5798	0.7645	0.3901	-0.2475	-0.2483	-0.3196	0.5403	0.1011	-0.6007	0.0809	-0.0168	0.1593	0.4353	0.0159	-0.0718	0.4588	0.0217	0.3907	-63.1345	45.9653	-23.02
51	1.3488	0.9234	-2.1447	4.2937	-0.72	2.1068	-0.4854	-0.5141	0.4783	-0.2962	0.0772	-0.7205	-0.247	0.5191	0.0218	0.5308	-0.0721	0.1174	0.5514	0.1319	0.7483	-46.8046	74.4664	-36.0553
52	3.2307	2.5039	-1.5315	6.1919	-0.4362	4.2285	0.08	-0.1618	0.075	-0.4549	-0.0503	-0.8593	0.0641	0.4398	-0.0019	0.4032	0.0086	0.0982	0.486	0.1232	0.5855	-47.7814	68.4629	-33.4178
53	6.0908	2.6775	-3.6672	6.2127	-1.2249	3.9709	0.1257	0.107	-0.0076	-1.0706	-0.3109	-1.0302	0.3125	-0	0.0659	0.729	-0.0862	0.1399	0.684	0.1676	0.5885	-45.6237	67.2878	-43.3585
54	1.3522	2.9039	0.6065	6.3039	-0.3443	4.9308	0.1367	0.4873	-0.3083	-0.4434	-0.0413	0.2821	0.9108	0.3586	-0.0672	0.7201	0.2392	-0.1443	0.6639	-0.1291	0.59	12.6158	75.0299	5.582
55	1.2169	1.8806	-0.881	4.6171	-1.9922	1.321	-0.0332	0.2267	-0.7136	-0.2876	-0.2569	-0.2693	0.601	-0.0644	0.2818	0.9717	0.1255	-0.1739	0.7499	-0.2157	0.9076	10.5549	62.8214	14.6557
56	2.9834	1.8672	-1.9467	2.2593	-1.361	3.076	-0.8624	0.755	-0.5189	-0.5139	0.63	0.2178	0.3005	-0.7155	0.123	0.958	-0.0116	-0.0442	0.7333	-0.1252	1.236	-4.1433	46.8109	21.3425
57	7.3612	2.6791	-3.7348	2.6088	-1.8395	3.7506	-1.898	2.1233	-0.9039	-2.1864	1.8306	-0.3685	0.4595	-1.0354	0.8847	1.9961	-0.1543	-0.196	0.5638	-0.0854	1.1493	-1.0701	38.1397	15.1909
58	4.397	-0.5661	0.3296	2.5601	0.3422	3.0609	0.2395	0.2723	-0.6196	0.0235	-0.0731	0.0203	0.3953	0.1414	-0.1578	0.4089	0.0621	-0.0591	0.3146	-0.0683	0.4321	8.1807	83.0378	27.4724
59	2.2337	0.5599	-0.0341	0.4002	-1.0733	2.1941	0.2356	-0.2187	-1.2875	-0.3024	-0.148	0.7316	0.7302	0.2355	-0.1535	1.0621	-0.0199	-0.3821	0.6675	0.1649	1.8349	5.9319	49.7397	34.1206

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 18 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 19 through 38 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 39 through 150 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 151 through 186 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 187 through 211 )
6	X-RAY DIFFRACTION	6	chain 'C' and (resid 1 through 18 )
7	X-RAY DIFFRACTION	7	chain 'C' and (resid 19 through 75 )
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 76 through 90 )
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 91 through 128 )
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 129 through 150 )
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 151 through 172 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 173 through 186 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 187 through 198 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 199 through 211 )
15	X-RAY DIFFRACTION	15	chain 'E' and (resid 1 through 18 )
16	X-RAY DIFFRACTION	16	chain 'E' and (resid 19 through 75 )
17	X-RAY DIFFRACTION	17	chain 'E' and (resid 76 through 113 )
18	X-RAY DIFFRACTION	18	chain 'E' and (resid 114 through 150 )
19	X-RAY DIFFRACTION	19	chain 'E' and (resid 151 through 186 )
20	X-RAY DIFFRACTION	20	chain 'E' and (resid 187 through 197 )
21	X-RAY DIFFRACTION	21	chain 'E' and (resid 198 through 211 )
22	X-RAY DIFFRACTION	22	chain 'I' and (resid 1 through 75 )
23	X-RAY DIFFRACTION	23	chain 'I' and (resid 76 through 113 )
24	X-RAY DIFFRACTION	24	chain 'I' and (resid 114 through 211 )
25	X-RAY DIFFRACTION	25	chain 'K' and (resid 1 through 25 )
26	X-RAY DIFFRACTION	26	chain 'K' and (resid 26 through 102 )
27	X-RAY DIFFRACTION	27	chain 'K' and (resid 103 through 113 )
28	X-RAY DIFFRACTION	28	chain 'K' and (resid 114 through 211 )
29	X-RAY DIFFRACTION	29	chain 'B' and (resid 1 through 145 )
30	X-RAY DIFFRACTION	30	chain 'B' and (resid 146 through 213 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 1 through 17 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 18 through 59 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 60 through 72 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 73 through 87 )
35	X-RAY DIFFRACTION	35	chain 'D' and (resid 88 through 119 )
36	X-RAY DIFFRACTION	36	chain 'D' and (resid 120 through 145 )
37	X-RAY DIFFRACTION	37	chain 'D' and (resid 146 through 188 )
38	X-RAY DIFFRACTION	38	chain 'D' and (resid 189 through 213 )
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 1 through 111 )
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 112 through 213 )
41	X-RAY DIFFRACTION	41	chain 'J' and (resid 1 through 17 )
42	X-RAY DIFFRACTION	42	chain 'J' and (resid 18 through 59 )
43	X-RAY DIFFRACTION	43	chain 'J' and (resid 60 through 95 )
44	X-RAY DIFFRACTION	44	chain 'J' and (resid 96 through 145 )
45	X-RAY DIFFRACTION	45	chain 'J' and (resid 146 through 165 )
46	X-RAY DIFFRACTION	46	chain 'J' and (resid 166 through 213 )
47	X-RAY DIFFRACTION	47	chain 'L' and (resid 1 through 17 )
48	X-RAY DIFFRACTION	48	chain 'L' and (resid 18 through 72 )
49	X-RAY DIFFRACTION	49	chain 'L' and (resid 73 through 87 )
50	X-RAY DIFFRACTION	50	chain 'L' and (resid 88 through 111 )
51	X-RAY DIFFRACTION	51	chain 'L' and (resid 112 through 145 )
52	X-RAY DIFFRACTION	52	chain 'L' and (resid 146 through 188 )
53	X-RAY DIFFRACTION	53	chain 'L' and (resid 189 through 213 )
54	X-RAY DIFFRACTION	54	chain 'G' and (resid 1 through 38 )
55	X-RAY DIFFRACTION	55	chain 'G' and (resid 39 through 150 )
56	X-RAY DIFFRACTION	56	chain 'G' and (resid 151 through 197 )
57	X-RAY DIFFRACTION	57	chain 'G' and (resid 198 through 211 )
58	X-RAY DIFFRACTION	58	chain 'H' and (resid 1 through 119 )
59	X-RAY DIFFRACTION	59	chain 'H' and (resid 120 through 213 )

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