PDB-7uij: Structural studies of B5-OspC complex

ID or keywords:

Entry

Database: PDB / ID: 7uij

Title

Structural studies of B5-OspC complex

Components

Monoclonal B5 Fab Heavy Chain
Monoclonal B5 Fab Light Chain
Outer surface protein C

Keywords

IMMUNE SYSTEM / Fab antibody / OspC Borrelia burgdorferi

Function / homology

external side of cell outer membrane /

Lipoprotein, OspC-type / Outer surface protein C-like superfamily /

Lipoprotein / Prokaryotic membrane lipoprotein lipid attachment site profile. /

cell surface /

membrane / Outer surface protein C

Function and homology information

Biological species

Mus musculus (house mouse)

Borreliella burgdorferi B31 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.701 Å

Authors

Rudolph, M.J. / Mantis, N.

Funding support

United States, 1items

Citation

Journal: Mbio / Year: 2023
Title: Structural Elucidation of a Protective B Cell Epitope on Outer Surface Protein C (OspC) of the Lyme Disease Spirochete, Borreliella burgdorferi.
Authors: Rudolph, M.J. / Davis, S.A. / Haque, H.M.E. / Weis, D.D. / Vance, D.J. / Piazza, C.L. / Ejemel, M. / Cavacini, L. / Wang, Y. / Mbow, M.L. / Gilmore, R.D. / Mantis, N.J.

History

Deposition	Mar 29, 2022	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 5, 2023	Provider: repository / Type: Initial release
Revision 1.1	Oct 18, 2023	Group: Data collection / Database references Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / 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 1.2	Oct 25, 2023	Group: Refinement description / Category: pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7uij.cif.gz	465.9 KB	Display	PDBx/mmCIF format
PDB format	pdb7uij.ent.gz	386.4 KB	Display	PDB format
PDBx/mmJSON format	7uij.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ui/7uij ftp://data.pdbj.org/pub/pdb/validation_reports/ui/7uij	HTTPS FTP

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Related structure data

Related structure data	7uj2C 7uj6C 1ggqS 3rkdS 4ki5S S: Starting model for refinement 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	#256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #21 - Sep 2001 Antibodies 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

#256 - Apr 2021
SARS-CoV-2 Spike and Antibodies
similarity (1)
#21 - Sep 2001
Antibodies
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)

Deposited unit

H: Monoclonal B5 Fab Heavy Chain

L: Monoclonal B5 Fab Light Chain

A: Monoclonal B5 Fab Heavy Chain

B: Monoclonal B5 Fab Light Chain

C: Outer surface protein C

D: Outer surface protein C

hetero molecules

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

1

Idetical with deposited unit
defined by author
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	54.729, 139.858, 205.669
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	18
Space group name H-M	P22₁2₁

#1: Antibody	Monoclonal B5 Fab Heavy Chain Mass: 25411.764 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Production host: Cricetulus griseus (Chinese hamster)
#2: Antibody	Monoclonal B5 Fab Light Chain Mass: 23458.852 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Production host: Cricetulus griseus (Chinese hamster)
#3: Protein	Outer surface protein C / PC Mass: 17528.031 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: variant A / Source: (gene. exp.) Borreliella burgdorferi B31 (bacteria) / Strain: ATCC 35210 / B31 / CIP 102532 / DSM 4680 / Gene: ospC, BB_B19 / Production host: Escherichia coli (E. coli) / References: UniProt: Q07337
#4: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₂H₆O₂
#5: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 32 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.96 Å³/Da / Density % sol: 58.5 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 100 mM sodium cacodylate pH 6.5, 5% PEG 8K, and 40% MPD

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 24-ID-E / Wavelength: 0.979 Å

Detector

Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 8, 2021

Radiation

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

Radiation wavelength

Wavelength: 0.979 Å / Relative weight: 1

Reflection

Resolution: 2.7→50 Å / Num. obs: 44184 / % possible obs: 99.6 % / Redundancy: 5.2 % / B_iso Wilson estimate: 73.1 Å² / R_merge(I) obs: 0.083 / R_pim(I) all: 0.04 / R_rim(I) all: 0.093 / Χ²: 0.954 / Net I/σ(I): 6.8 / Num. measured all: 230675

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	Χ²	% possible all
2.7-2.75	5.1	1.448	2177	0.495	0.698	1.612	0.619	99.6
2.75-2.8	5.1	1.19	2163	0.585	0.574	1.324	0.644	99.9
2.8-2.85	5.1	1.026	2170	0.655	0.495	1.143	0.642	99.7
2.85-2.91	5.1	0.815	2177	0.727	0.393	0.908	0.636	99.6
2.91-2.97	5.2	0.652	2154	0.816	0.312	0.725	0.669	99.7
2.97-3.04	5.1	0.514	2217	0.889	0.246	0.572	0.694	99.7
3.04-3.12	5.2	0.405	2149	0.926	0.194	0.45	0.713	99.7
3.12-3.2	5.1	0.323	2199	0.941	0.155	0.36	0.783	99.5
3.2-3.3	5	0.236	2134	0.963	0.115	0.263	0.804	99.4
3.3-3.4	4.4	0.193	2225	0.973	0.101	0.218	0.92	99.5
3.4-3.52	4.9	0.149	2169	0.984	0.074	0.167	1.041	99.7
3.52-3.66	5.8	0.133	2213	0.988	0.061	0.147	1.055	99.6
3.66-3.83	5.8	0.109	2197	0.991	0.05	0.12	1.186	100
3.83-4.03	5.7	0.089	2199	0.993	0.041	0.099	1.204	99.7
4.03-4.29	5.6	0.074	2217	0.994	0.035	0.082	1.298	99.6
4.29-4.62	5.3	0.06	2227	0.996	0.029	0.067	1.38	99.5
4.62-5.08	5.3	0.052	2225	0.997	0.025	0.058	1.245	99.5
5.08-5.81	5.3	0.049	2247	0.997	0.024	0.055	1.17	99.6
5.81-7.32	4.7	0.043	2283	0.997	0.022	0.049	1.048	99.5
7.32-50	5.5	0.033	2442	0.999	0.016	0.037	1.089	99.7

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Processing

Software

Name	Version	Classification
PHENIX	1.11.1_2575	refinement
SCALEPACK		data scaling
PDB_EXTRACT	3.27	data extraction
HKL-2000		data reduction
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4KI5, 3RKD, 1GGQ

4ki5

3rkd

1ggq

Resolution: 2.701→49.469 Å / SU ML: 0.37 / Cross valid method: THROUGHOUT / σ(F): 1.36 / Phase error: 27.11 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.256	2123	4.81 %
R_work	0.204	41996	-
obs	0.2065	44119	99.43 %

Solvent computation

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

Displacement parameters

B_iso max: 281.21 Å² / B_iso mean: 93.771 Å² / B_iso min: 35.21 Å²

Refinement step

Cycle: final / Resolution: 2.701→49.469 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8825	0	4	32	8861
B_iso mean	-	-	98.96	61.71	-
Num. residues	-	-	-	-	1160

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.005	9011
X-RAY DIFFRACTION	f_angle_d	0.783	12218
X-RAY DIFFRACTION	f_chiral_restr	0.046	1395
X-RAY DIFFRACTION	f_plane_restr	0.004	1546
X-RAY DIFFRACTION	f_dihedral_angle_d	3.597	5400

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	% reflection obs (%)
2.701-2.7636	0.3875	143	0.3269	2670	97
2.7636-2.8327	0.3657	126	0.3038	2777	100
2.8327-2.9093	0.3307	126	0.2961	2773	100
2.9093-2.9949	0.3188	158	0.2754	2729	100
2.9949-3.0915	0.312	141	0.2714	2762	100
3.0915-3.202	0.2806	154	0.2664	2779	99
3.202-3.3302	0.2977	147	0.264	2738	99
3.3302-3.4817	0.259	137	0.2382	2801	100
3.4817-3.6652	0.2428	136	0.2194	2811	100
3.6652-3.8947	0.261	153	0.2058	2771	100
3.8947-4.1953	0.2387	134	0.1957	2823	100
4.1953-4.6172	0.2318	143	0.164	2813	100
4.6172-5.2847	0.2337	148	0.1664	2815	99
5.2847-6.6556	0.2548	133	0.2036	2896	100
6.6556-49.469	0.2278	144	0.1653	3038	100

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	2.6538	-1.4028	-0.7079	1.2971	0.2955	8.2766	-0.1269	0.8699	0.2235	-0.4581	0.5559	0.4821	1.0075	0.4297	-0.4076	0.8969	-0.1905	0.1641	0.5185	-0.0339	0.6493	-20.3967	-36.68	-105.6043
2	3.8379	-0.2159	-0.4875	1.1344	-0.5485	3.2766	0.0447	0.307	-0.45	-0.3856	-0.1653	-0.1129	0.4858	0.2281	0.0066	0.7614	-0.1055	0.0664	0.3724	0.0095	0.571	-14.9516	-33.5223	-95.3771
3	5.3197	1.3525	3.9738	5.1575	1.991	3.9297	0.3917	-0.6336	-1.1601	0.3549	0.0195	0.0253	1.1528	-0.6595	-0.4251	0.8058	-0.1652	0.0207	0.5606	0.1026	0.6513	-21.7191	-40.3229	-94.7234
4	2.6592	0.0496	1.4505	1.4846	0.805	5.8814	0.215	-0.0497	0.0205	-0.1909	-0.1985	-0.0041	0.5388	-0.3424	-0.0904	0.5787	-0.0243	0.1156	0.3904	-0.0679	0.464	-23.8471	-30.0491	-105.7961
5	7.3883	-4.2518	5.5254	4.6736	-5.6747	7.9377	-0.2558	0.3854	1.6885	-0.4175	-0.1078	0.2273	-1.4659	-1.1236	0.8487	1.2432	0.1885	-0.0378	0.9728	-0.0666	1.0904	-39.4259	-13.9771	-128.1433
6	4.1751	-1.0752	2.3422	9.1907	2.8098	4.097	0.2753	0.4279	0.409	-1.1288	-0.8936	-0.5015	-0.7036	-0.3507	0.5181	0.9165	0.1079	-0.0258	0.4962	0.0757	0.622	-30.6566	-20.0446	-124.4835
7	4.1833	-2.8448	2.9983	2.9825	-3.9134	7.4914	-0.0127	-0.991	0.1403	-0.2418	0.4582	0.6636	0.5237	-1.1119	-0.4099	0.4602	-0.1831	0.1853	0.7581	-0.1047	0.7129	-33.3196	-15.013	-87.5125
8	6.1574	0.0159	4.2118	3.9374	2.5152	6.4681	0.2056	-0.7689	-0.3681	0.554	0.0738	0.0393	0.0116	0.4383	-0.0686	0.4166	-0.0475	0.1451	0.5087	-0.0275	0.4858	-23.8829	-21.0465	-84.4542
9	7.3884	-1.0302	3.0693	5.5502	-0.293	4.0413	-0.157	-0.195	0.3803	0.1054	-0.0654	-0.0153	-0.1903	-0.2101	0.2386	0.3327	-0.0362	0.1192	0.4089	-0.0482	0.479	-22.5711	-14.0458	-90.3042
10	4.3712	-4.4411	2.4588	4.9975	-1.4102	2.0802	0.0013	-0.1024	0.2571	-0.1476	-0.0473	-0.2483	-0.0075	-0.3332	0.1631	0.4076	-0.0487	0.0749	0.6722	-0.0494	0.5769	-27.8727	-13.1455	-95.0476
11	4.5609	-4.4188	1.1962	6.5612	-0.6519	4.2501	-0.2636	-0.6287	-0.2434	-0.0067	0.5276	0.3019	0.3916	-0.5392	-0.285	0.6756	-0.1662	0.219	0.5768	0.0066	0.5439	-23.1264	-28.2777	-85.3998
12	1.339	0.489	1.5657	2.6128	0.7289	2.9028	0.2324	0.5921	-0.623	-1.02	-0.4395	1.1645	0.4302	-0.5331	0.3914	0.8644	0.1159	-0.3765	1.0321	-0.3617	1.1453	-41.7151	-15.907	-118.8671
13	2.484	0.7611	1.9415	2.4851	1.7864	4.7869	0.4989	0.4435	-1.2358	-0.854	-1.6314	1.735	-0.5119	-2.0503	-0.1873	0.5029	-0.0143	-0.1952	1.1301	-0.7944	1.4418	-47.0273	-14.0189	-115.0594
14	2.4694	-0.5155	0.8094	2.126	0.0564	6.5417	1.0143	0.7508	-0.5322	0.0816	-0.799	1.2324	1.8776	-1.3138	0.0854	0.7817	-0.0802	-0.2965	1.0021	-0.3818	1.3299	-45.2733	-19.95	-117.9805
15	1.274	1.068	2.0175	7.4764	5.8882	2.0225	0.5868	0.4551	-0.0978	-2.2314	-0.3467	1.9618	1.4839	-0.3853	0.2503	0.82	0.2178	-0.9848	2.0628	-1.0643	2.0007	-54.6204	-19.1848	-127.1257
16	2.1007	0.2926	-2.215	4.9249	-0.7928	2.4635	-0.4568	0.5561	0.4396	-1.159	-1.5526	2.8407	0.4483	-1.4619	0.3026	0.8562	0.2548	-0.4211	1.5208	-0.4407	1.6661	-52.5182	-10.626	-123.9055
17	9.3279	-0.5527	5.7328	2.9728	-2.3976	4.9787	0.1851	-2.5458	-0.1314	-0.1249	0.276	-0.3946	1.2047	-0.9124	-0.6515	0.835	0.1458	0.1665	0.9296	-0.0146	0.529	18.2632	-31.3479	-40.8929
18	6.9811	-1.78	6.7972	2.8388	-2.6532	6.8651	0.0676	-1.2982	-0.5555	0.1883	0.2965	0.0834	0.4977	-1.2113	-0.3516	0.7939	0.0136	0.1716	0.7488	0.0468	0.502	8.1167	-31.1805	-50.6163
19	3.5698	-3.3737	3.0861	3.4959	-2.4048	8.2519	-0.2039	0.2485	0.1735	1.0167	-0.0319	-0.3315	-0.4066	0.2999	0.3977	0.7689	0.0553	0.0865	0.6147	-0.0307	0.414	21.3378	-25.3703	-50.4666
20	5.4207	1.6047	2.3167	5.6962	-0.688	5.1768	-0.0285	0.3993	-0.6432	-0.4765	-0.0692	-0.1341	0.8624	0.8521	-0.1588	0.8002	0.0725	0.1211	0.7699	-0.0883	0.5546	16.0987	-33.1232	-57.4655
21	5.4766	-0.0859	3.4334	3.2637	-1.3818	5.0213	0.3239	0.0024	-0.5541	-0.0331	-0.0782	-0.1165	0.6501	0.4241	-0.1361	0.6036	0.0733	0.1124	0.5477	-0.0164	0.3731	18.4096	-30.8243	-49.2425
22	5.6987	-0.976	-0.0804	9.2957	-1.3539	1.3029	-0.0049	-0.2981	0.5173	2.1903	-0.0642	-0.4679	-1.1297	0.2535	0.2095	1.4159	-0.2442	-0.0774	0.6143	0.0802	0.5583	29.515	-15.8913	-22.527
23	4.3528	1.7383	3.5061	5.6113	-0.7901	3.4904	-0.5499	0.1302	0.228	2.027	-0.7323	0.4172	-1.4395	0.5259	0.5442	1.6306	-0.2036	0.1013	0.5184	0.1409	0.6445	27.063	-11.5331	-26.1425
24	2.1216	-1.3043	-0.2742	9.4689	4.3884	2.2476	-0.3228	-1.1382	0.0947	1.3632	-0.3685	1.6334	-3.2424	-0.1083	0.5867	2.8834	-0.0332	0.0828	0.8675	-0.1226	0.4987	23.9539	-11.7861	-14.6848
25	4.1153	1.0833	0.8071	5.1365	0.9556	6.7212	-0.1408	0.4702	0.322	0.0586	0.1125	-0.2033	-0.5586	0.2975	-0.0019	0.4858	-0.092	0.04	0.5327	0.0351	0.4957	16.6783	-8.9643	-57.487
26	2.4922	1.0469	1.8624	2.9154	0.4129	4.7176	-0.2933	0.0139	0.3047	0.5628	-0.1813	-0.1836	-0.9234	0.8392	0.4477	0.7427	-0.1622	-0.002	0.7242	0.0924	0.6036	25.2252	-8.6048	-42.0767
27	3.0494	-1.0529	3.0869	8.9732	-1.8928	5.2855	0.2808	1.0341	0.7284	0.8009	-1.0252	-1.605	-0.7739	1.6887	1.0609	1.1219	-0.3202	-0.1796	1.0516	0.258	0.9177	37.41	-5.2352	-32.2587
28	0.2626	0.0579	-0.71	3.0353	1.7022	2.0725	-0.4253	0.4004	0.4245	0.6909	-0.4762	-2.3243	-0.8259	1.6183	0.8948	1.3384	-0.6622	-0.5743	1.3788	0.397	1.5296	43.7966	-4.836	-26.219
29	7.6808	-4.2763	0.4656	8.1969	0.6236	4.5079	0.36	-0.9311	-0.4052	-0.4788	-0.0411	0.2034	0.4776	-0.0995	-0.1984	0.3911	-0.1906	0.0831	0.5054	0.0393	0.4225	-5.2157	-24.3603	-75.1671
30	3.8808	0.924	3.8335	4.4307	-1.5661	6.7569	-0.4749	-1.1623	1.2093	0.4311	0.6144	-0.9524	-0.2868	-0.1353	-0.1417	0.3441	-0.0849	0.145	0.3695	-0.0183	0.4562	1.1521	-14.0052	-75.882
31	6.0148	-1.4813	2.1191	2.3158	-0.4104	4.738	0.03	0.2723	0.1576	-1.2953	0.2821	-1.5771	0.4561	0.7275	-0.1439	0.506	-0.0136	0.1517	0.5758	-0.0157	0.5854	9.8284	-20.0144	-84.0612
32	2.2185	1.0886	-0.5727	6.972	0.1308	4.8723	-0.1612	0.1828	-0.2421	-0.2326	-0.0048	-0.7019	0.7946	0.2135	0.0269	0.4311	0.016	0.0978	0.4871	-0.045	0.4725	-0.3363	-24.5156	-85.372
33	3.1427	2.8466	-0.1398	8.7797	-1.5085	2.3753	0.0896	-0.1477	-0.6305	0.1232	-0.1951	-0.5271	0.507	-0.1264	0.1779	0.5455	-0.0198	0.2139	0.6407	-0.0366	0.5558	-3.1286	-29.8229	-70.3994
34	4.178	-1.2872	1.4219	6.7955	3.8985	4.1167	0.1934	0.1072	0.4701	-0.318	0.0709	-1.8364	-0.5169	2.234	-0.7615	0.5674	0.0398	-0.0125	0.6681	0.0957	0.807	9.8708	-4.6751	-74.7477
35	6.8587	1.3499	1.298	8.9251	0.9135	4.3114	0.4685	-0.7763	0.1757	0.9309	-0.2224	1.67	0.2454	-0.6547	-0.0061	0.4476	-0.0735	0.1479	0.6514	-0.0603	0.4047	-11.1474	-20.9559	-68.9694
36	2.0073	-0.3866	1.8215	1.4892	-0.1714	4.4813	-0.0626	-0.825	-0.2342	0.4952	0.2946	1.7257	0.5865	-1.2974	-0.0571	0.6008	-0.2268	0.2361	1.1108	0.0087	0.869	-16.2755	-25.241	-60.7725
37	2.3374	-0.6627	1.9472	4.3966	-0.7653	3.5893	-0.4383	-1.0944	0.4009	0.8498	-0.292	0.4504	-0.8822	-0.9442	0.5045	0.6198	0.1063	0.0925	1.0018	-0.2394	0.6252	-8.0937	-8.6952	-60.1487
38	5.2428	-4.6996	-2.5764	5.8155	6.4234	9.3237	-1.0835	-0.8862	-0.7393	1.2923	1.8916	1.0297	1.511	0.8881	-0.78	0.854	-0.1537	0.0383	0.9871	0.1409	0.6486	-4.4597	-38.021	-61.4993

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'H' and (resid 1 through 17 )	H	1 - 17
2	X-RAY DIFFRACTION	2	chain 'H' and (resid 18 through 40 )	H	18 - 40
3	X-RAY DIFFRACTION	3	chain 'H' and (resid 41 through 91 )	H	41 - 91
4	X-RAY DIFFRACTION	4	chain 'H' and (resid 92 through 127 )	H	92 - 127
5	X-RAY DIFFRACTION	5	chain 'H' and (resid 128 through 148 )	H	128 - 148
6	X-RAY DIFFRACTION	6	chain 'H' and (resid 149 through 215 )	H	149 - 215
7	X-RAY DIFFRACTION	7	chain 'L' and (resid 1 through 25 )	L	1 - 25
8	X-RAY DIFFRACTION	8	chain 'L' and (resid 26 through 38 )	L	26 - 38
9	X-RAY DIFFRACTION	9	chain 'L' and (resid 39 through 75 )	L	39 - 75
10	X-RAY DIFFRACTION	10	chain 'L' and (resid 76 through 90 )	L	76 - 90
11	X-RAY DIFFRACTION	11	chain 'L' and (resid 91 through 101 )	L	91 - 101
12	X-RAY DIFFRACTION	12	chain 'L' and (resid 102 through 132 )	L	102 - 132
13	X-RAY DIFFRACTION	13	chain 'L' and (resid 133 through 150 )	L	133 - 150
14	X-RAY DIFFRACTION	14	chain 'L' and (resid 151 through 186 )	L	151 - 186
15	X-RAY DIFFRACTION	15	chain 'L' and (resid 187 through 197 )	L	187 - 197
16	X-RAY DIFFRACTION	16	chain 'L' and (resid 198 through 214 )	L	198 - 214
17	X-RAY DIFFRACTION	17	chain 'A' and (resid 1 through 17 )	A	1 - 17
18	X-RAY DIFFRACTION	18	chain 'A' and (resid 18 through 32 )	A	18 - 32
19	X-RAY DIFFRACTION	19	chain 'A' and (resid 33 through 44 )	A	33 - 44
20	X-RAY DIFFRACTION	20	chain 'A' and (resid 45 through 60 )	A	45 - 60
21	X-RAY DIFFRACTION	21	chain 'A' and (resid 61 through 114 )	A	61 - 114
22	X-RAY DIFFRACTION	22	chain 'A' and (resid 115 through 157 )	A	115 - 157
23	X-RAY DIFFRACTION	23	chain 'A' and (resid 158 through 187 )	A	158 - 187
24	X-RAY DIFFRACTION	24	chain 'A' and (resid 188 through 215 )	A	188 - 215
25	X-RAY DIFFRACTION	25	chain 'B' and (resid 1 through 75 )	B	1 - 75
26	X-RAY DIFFRACTION	26	chain 'B' and (resid 76 through 128 )	B	76 - 128
27	X-RAY DIFFRACTION	27	chain 'B' and (resid 129 through 172 )	B	129 - 172
28	X-RAY DIFFRACTION	28	chain 'B' and (resid 173 through 208 )	B	173 - 208
29	X-RAY DIFFRACTION	29	chain 'C' and (resid 46 through 89 )	C	46 - 89
30	X-RAY DIFFRACTION	30	chain 'C' and (resid 90 through 114 )	C	90 - 114
31	X-RAY DIFFRACTION	31	chain 'C' and (resid 115 through 145 )	C	115 - 145
32	X-RAY DIFFRACTION	32	chain 'C' and (resid 146 through 200 )	C	146 - 200
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 43 through 82 )	D	43 - 82
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 83 through 89 )	D	83 - 89
35	X-RAY DIFFRACTION	35	chain 'D' and (resid 90 through 120 )	D	90 - 120
36	X-RAY DIFFRACTION	36	chain 'D' and (resid 121 through 140 )	D	121 - 140
37	X-RAY DIFFRACTION	37	chain 'D' and (resid 141 through 169 )	D	141 - 169
38	X-RAY DIFFRACTION	38	chain 'D' and (resid 170 through 200 )	D	170 - 200

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